Build log for openbabel (3.1.1+dfsg-6+b1) on armhf

openbabel → 3.1.1+dfsg-6+b1 → armhf → 2022-02-13 23:48:35

sbuild (Debian sbuild) 0.71.0 (24 Aug 2016) on bm-wb-03

+==============================================================================+
| openbabel 3.1.1+dfsg-6+b1 (armhf)            Sun, 13 Feb 2022 12:27:29 +0000 |
+==============================================================================+

Package: openbabel
Version: 3.1.1+dfsg-6+b1
Source Version: 3.1.1+dfsg-6
Distribution: bookworm-staging
Machine Architecture: armhf
Host Architecture: armhf
Build Architecture: armhf

I: NOTICE: Log filtering will replace 'var/lib/schroot/mount/bookworm-staging-armhf-sbuild-baf8a644-eb68-4041-8e9a-5a052af3c119' with '<<CHROOT>>'

+------------------------------------------------------------------------------+
| Update chroot                                                                |
+------------------------------------------------------------------------------+

Get:1 http://172.17.4.1/private bookworm-staging InRelease [11.3 kB]
Get:2 http://172.17.4.1/private bookworm-staging/main Sources [12.8 MB]
Get:3 http://172.17.4.1/private bookworm-staging/main armhf Packages [13.6 MB]
Fetched 26.4 MB in 26s (1011 kB/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Fetch source files                                                           |
+------------------------------------------------------------------------------+


Check APT
---------

Checking available source versions...

Download source files with APT
------------------------------

Reading package lists...
NOTICE: 'openbabel' packaging is maintained in the 'Git' version control system at:
https://salsa.debian.org/debichem-team/openbabel.git
Please use:
git clone https://salsa.debian.org/debichem-team/openbabel.git
to retrieve the latest (possibly unreleased) updates to the package.
Need to get 21.8 MB of source archives.
Get:1 http://172.17.4.1/private bookworm-staging/main openbabel 3.1.1+dfsg-6 (dsc) [2826 B]
Get:2 http://172.17.4.1/private bookworm-staging/main openbabel 3.1.1+dfsg-6 (tar) [21.8 MB]
Get:3 http://172.17.4.1/private bookworm-staging/main openbabel 3.1.1+dfsg-6 (diff) [20.1 kB]
Fetched 21.8 MB in 2s (10.7 MB/s)
Download complete and in download only mode
I: NOTICE: Log filtering will replace 'build/openbabel-s8GWtW/openbabel-3.1.1+dfsg' with '<<PKGBUILDDIR>>'
I: NOTICE: Log filtering will replace 'build/openbabel-s8GWtW' with '<<BUILDDIR>>'

+------------------------------------------------------------------------------+
| Install build-essential                                                      |
+------------------------------------------------------------------------------+


Setup apt archive
-----------------

Merged Build-Depends: build-essential, fakeroot
Filtered Build-Depends: build-essential, fakeroot
dpkg-deb: building package 'sbuild-build-depends-core-dummy' in '/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive/sbuild-build-depends-core-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning:   sbuild-build-depends-core-dummy
dpkg-scanpackages: info: Wrote 1 entries to output Packages file.
gpg: keybox '/<<BUILDDIR>>/resolver-ZmE3zg/gpg/pubring.kbx' created
gpg: /<<BUILDDIR>>/resolver-ZmE3zg/gpg/trustdb.gpg: trustdb created
gpg: key 35506D9A48F77B2E: public key "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" imported
gpg: Total number processed: 1
gpg:               imported: 1
gpg: key 35506D9A48F77B2E: "Sbuild Signer (Sbuild Build Dependency Archive Key) <buildd-tools-devel@lists.alioth.debian.org>" not changed
gpg: key 35506D9A48F77B2E: secret key imported
gpg: Total number processed: 1
gpg:              unchanged: 1
gpg:       secret keys read: 1
gpg:   secret keys imported: 1
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Release [957 B]
Get:3 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Sources [349 B]
Get:5 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Packages [432 B]
Fetched 2108 B in 1s (2739 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...

Install core build dependencies (apt-based resolver)
----------------------------------------------------

Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
  libperl5.32 netbase perl-modules-5.32
Use 'apt autoremove' to remove them.
The following NEW packages will be installed:
  sbuild-build-depends-core-dummy
0 upgraded, 1 newly installed, 0 to remove and 19 not upgraded.
Need to get 852 B of archives.
After this operation, 0 B of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ sbuild-build-depends-core-dummy 0.invalid.0 [852 B]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 852 B in 0s (22.1 kB/s)
Selecting previously unselected package sbuild-build-depends-core-dummy.
(Reading database ... 14383 files and directories currently installed.)
Preparing to unpack .../sbuild-build-depends-core-dummy_0.invalid.0_armhf.deb ...
Unpacking sbuild-build-depends-core-dummy (0.invalid.0) ...
Setting up sbuild-build-depends-core-dummy (0.invalid.0) ...
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Check architectures                                                          |
+------------------------------------------------------------------------------+

Arch check ok (armhf included in any all)

+------------------------------------------------------------------------------+
| Install package build dependencies                                           |
+------------------------------------------------------------------------------+


Setup apt archive
-----------------

Merged Build-Depends: cmake, debhelper-compat (= 12), dh-python, doxygen, ghostscript, graphviz, libboost-all-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libinchi-dev, libmaeparser-dev, libperl-dev, libwxgtk3.0-gtk3-dev, libxml2-dev, pkg-config, python3-all, python3-dev, python3-setuptools, rapidjson-dev, swig, texlive-binaries, texlive-latex-base, texlive-latex-extra, zlib1g-dev
Filtered Build-Depends: cmake, debhelper-compat (= 12), dh-python, doxygen, ghostscript, graphviz, libboost-all-dev, libcairo2-dev, libcoordgen-dev, libeigen3-dev, libinchi-dev, libmaeparser-dev, libperl-dev, libwxgtk3.0-gtk3-dev, libxml2-dev, pkg-config, python3-all, python3-dev, python3-setuptools, rapidjson-dev, swig, texlive-binaries, texlive-latex-base, texlive-latex-extra, zlib1g-dev
dpkg-deb: building package 'sbuild-build-depends-openbabel-dummy' in '/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive/sbuild-build-depends-openbabel-dummy.deb'.
dpkg-scanpackages: warning: Packages in archive but missing from override file:
dpkg-scanpackages: warning:   sbuild-build-depends-core-dummy sbuild-build-depends-openbabel-dummy
dpkg-scanpackages: info: Wrote 2 entries to output Packages file.
gpg: using "Sbuild Signer" as default secret key for signing
Ign:1 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ InRelease
Get:2 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Release [963 B]
Get:3 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Release.gpg [370 B]
Get:4 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Sources [660 B]
Get:5 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ Packages [746 B]
Fetched 2739 B in 1s (3353 B/s)
Reading package lists...
W: No sandbox user '_apt' on the system, can not drop privileges
Reading package lists...

Install openbabel build dependencies (apt-based resolver)
---------------------------------------------------------

Installing build dependencies
Reading package lists...
Building dependency tree...
Reading state information...
The following packages were automatically installed and are no longer required:
  libperl5.32 netbase perl-modules-5.32
Use 'apt autoremove' to remove them.
The following additional packages will be installed:
  adwaita-icon-theme autoconf automake autopoint autotools-dev bsdextrautils
  cmake cmake-data cpp-11 dbus dbus-bin dbus-daemon dbus-session-bus-common
  dbus-system-bus-common dbus-user-session dconf-gsettings-backend
  dconf-service debhelper dh-autoreconf dh-elpa-helper dh-python
  dh-strip-nondeterminism dmsetup doxygen dwz emacsen-common file fontconfig
  fontconfig-config fonts-lmodern fonts-urw-base35 gcc-11 gcc-11-base gettext
  gettext-base gfortran-11 ghostscript graphviz groff-base
  gtk-update-icon-cache hicolor-icon-theme ibverbs-providers icu-devtools
  intltool-debian libapache-pom-java libapparmor1 libarchive-zip-perl
  libarchive13 libargon2-1 libasan6 libatk-bridge2.0-0 libatk1.0-0
  libatk1.0-data libatomic1 libatspi2.0-0 libavahi-client3
  libavahi-common-data libavahi-common3 libblkid-dev libboost-all-dev
  libboost-atomic-dev libboost-atomic1.74-dev libboost-atomic1.74.0
  libboost-chrono-dev libboost-chrono1.74-dev libboost-chrono1.74.0
  libboost-container-dev libboost-container1.74-dev libboost-container1.74.0
  libboost-context-dev libboost-context1.74-dev libboost-context1.74.0
  libboost-coroutine-dev libboost-coroutine1.74-dev libboost-coroutine1.74.0
  libboost-date-time-dev libboost-date-time1.74-dev libboost-date-time1.74.0
  libboost-dev libboost-exception-dev libboost-exception1.74-dev
  libboost-fiber-dev libboost-fiber1.74-dev libboost-fiber1.74.0
  libboost-filesystem-dev libboost-filesystem1.74-dev
  libboost-filesystem1.74.0 libboost-graph-dev libboost-graph-parallel-dev
  libboost-graph-parallel1.74-dev libboost-graph-parallel1.74.0
  libboost-graph1.74-dev libboost-graph1.74.0 libboost-iostreams-dev
  libboost-iostreams1.71.0 libboost-iostreams1.74-dev libboost-iostreams1.74.0
  libboost-locale-dev libboost-locale1.74-dev libboost-locale1.74.0
  libboost-log-dev libboost-log1.74-dev libboost-log1.74.0 libboost-math-dev
  libboost-math1.74-dev libboost-math1.74.0 libboost-mpi-dev
  libboost-mpi-python-dev libboost-mpi-python1.74-dev
  libboost-mpi-python1.74.0 libboost-mpi1.74-dev libboost-mpi1.74.0
  libboost-nowide-dev libboost-nowide1.74-dev libboost-nowide1.74.0
  libboost-numpy-dev libboost-numpy1.74-dev libboost-numpy1.74.0
  libboost-program-options-dev libboost-program-options1.74-dev
  libboost-program-options1.74.0 libboost-python-dev libboost-python1.74-dev
  libboost-python1.74.0 libboost-random-dev libboost-random1.74-dev
  libboost-random1.74.0 libboost-regex-dev libboost-regex1.74-dev
  libboost-regex1.74.0 libboost-serialization-dev
  libboost-serialization1.74-dev libboost-serialization1.74.0
  libboost-stacktrace-dev libboost-stacktrace1.74-dev
  libboost-stacktrace1.74.0 libboost-system-dev libboost-system1.74-dev
  libboost-system1.74.0 libboost-test-dev libboost-test1.74-dev
  libboost-test1.74.0 libboost-thread-dev libboost-thread1.74-dev
  libboost-thread1.74.0 libboost-timer-dev libboost-timer1.74-dev
  libboost-timer1.74.0 libboost-tools-dev libboost-type-erasure-dev
  libboost-type-erasure1.74-dev libboost-type-erasure1.74.0 libboost-wave-dev
  libboost-wave1.74-dev libboost-wave1.74.0 libboost1.74-dev
  libboost1.74-tools-dev libbrotli-dev libbrotli1 libbsd0 libcairo-gobject2
  libcairo-script-interpreter2 libcairo2 libcairo2-dev libcbor0.8 libcc1-0
  libcdt5 libcgraph6 libclang-cpp11 libclang1-11 libcolord2
  libcommons-logging-java libcommons-parent-java libcoordgen-dev libcoordgen3
  libcryptsetup12 libcups2 libcurl3-gnutls libcurl4 libdatrie1 libdbus-1-3
  libdconf1 libdebhelper-perl libdeflate0 libdevmapper1.02.1 libdrm-amdgpu1
  libdrm-common libdrm-nouveau2 libdrm-radeon1 libdrm2 libedit2 libegl-dev
  libegl-mesa0 libegl1 libeigen3-dev libelf1 libepoxy0 libevent-2.1-7
  libevent-core-2.1-7 libevent-dev libevent-extra-2.1-7 libevent-openssl-2.1-7
  libevent-pthreads-2.1-7 libexpat1 libexpat1-dev libfabric1 libfdisk1
  libffi-dev libfido2-1 libfile-stripnondeterminism-perl libfontbox-java
  libfontconfig-dev libfontconfig1 libfontconfig1-dev libfreetype-dev
  libfreetype6 libfreetype6-dev libfribidi0 libgbm1 libgcc-11-dev libgcc-s1
  libgd3 libgdk-pixbuf-2.0-0 libgdk-pixbuf2.0-common libgfortran-11-dev
  libgfortran5 libgl-dev libgl1 libgl1-mesa-dev libgl1-mesa-dri libglapi-mesa
  libgles-dev libgles1 libgles2 libglib2.0-0 libglib2.0-bin libglib2.0-data
  libglib2.0-dev libglib2.0-dev-bin libglu1-mesa libglu1-mesa-dev
  libglvnd-core-dev libglvnd-dev libglvnd0 libglx-dev libglx-mesa0 libglx0
  libgomp1 libgraphite2-3 libgs9 libgs9-common libgtk-3-0 libgtk-3-common
  libgts-0.7-5 libgvc6 libgvpr2 libharfbuzz0b libhwloc-dev libhwloc-plugins
  libhwloc15 libibverbs-dev libibverbs1 libice-dev libice6 libicu-dev libicu67
  libidn12 libijs-0.35 libinchi-dev libinchi1 libip4tc2 libjbig0 libjbig2dec0
  libjpeg62-turbo libjs-jquery libjs-jquery-ui libjs-sphinxdoc
  libjs-underscore libjson-c5 libjsoncpp25 libkmod2 libkpathsea6 liblab-gamut1
  liblcms2-2 libllvm11 libllvm12 libltdl-dev libltdl7 liblzo2-2
  libmaeparser-dev libmaeparser1 libmagic-mgc libmagic1 libmd0 libmount-dev
  libmpdec3 libncurses6 libnghttp2-14 libnl-3-200 libnl-3-dev
  libnl-route-3-200 libnl-route-3-dev libnotify4 libnuma-dev libnuma1
  libopengl-dev libopengl0 libopenjp2-7 libopenmpi-dev libopenmpi3
  libpam-systemd libpango-1.0-0 libpangocairo-1.0-0 libpangoft2-1.0-0
  libpaper-utils libpaper1 libpathplan4 libpciaccess0 libpcre16-3
  libpcre2-16-0 libpcre2-32-0 libpcre2-dev libpcre2-posix3 libpcre3-dev
  libpcre32-3 libpcrecpp0v5 libpdfbox-java libperl-dev libpipeline1
  libpixman-1-0 libpixman-1-dev libpmix-dev libpmix2 libpng-dev libpng16-16
  libprocps8 libpsl5 libptexenc1 libpthread-stubs0-dev libpython3-dev
  libpython3-stdlib libpython3.9 libpython3.9-dev libpython3.9-minimal
  libpython3.9-stdlib librdmacm1 librhash0 librtmp1 libselinux1-dev
  libsensors-config libsensors5 libsepol-dev libsepol2 libsigsegv2 libsm-dev
  libsm6 libssh2-1 libstdc++-11-dev libstdc++6 libsub-override-perl
  libsynctex2 libteckit0 libtexlua53 libtexluajit2 libthai-data libthai0
  libtiff5 libtool libubsan1 libuchardet0 libuv1 libvulkan1 libwayland-client0
  libwayland-cursor0 libwayland-egl1 libwayland-server0 libwebp6
  libwxbase3.0-0v5 libwxbase3.0-dev libwxgtk3.0-gtk3-0v5 libwxgtk3.0-gtk3-dev
  libx11-6 libx11-data libx11-dev libx11-xcb1 libxapian30 libxau-dev libxau6
  libxaw7 libxcb-dri2-0 libxcb-dri3-0 libxcb-glx0 libxcb-present0
  libxcb-render0 libxcb-render0-dev libxcb-shm0 libxcb-shm0-dev libxcb-sync1
  libxcb-xfixes0 libxcb1 libxcb1-dev libxcomposite1 libxcursor1 libxdamage1
  libxdmcp-dev libxdmcp6 libxext-dev libxext6 libxfixes3 libxi6 libxinerama1
  libxkbcommon0 libxml2 libxml2-dev libxmu6 libxnvctrl0 libxpm4 libxrandr2
  libxrender-dev libxrender1 libxshmfence1 libxt6 libxxf86vm1 libz3-4
  libzzip-0-13 m4 man-db media-types mpi-default-bin mpi-default-dev
  ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client pkg-config
  po-debconf poppler-data preview-latex-style procps python3 python3-all
  python3-dev python3-distutils python3-lib2to3 python3-minimal
  python3-pkg-resources python3-setuptools python3.9 python3.9-dev
  python3.9-minimal rapidjson-dev sensible-utils shared-mime-info swig swig4.0
  systemd systemd-sysv t1utils tex-common texlive-base texlive-binaries
  texlive-latex-base texlive-latex-extra texlive-latex-recommended
  texlive-pictures ucf uuid-dev wx-common wx3.0-headers x11-common
  x11proto-dev xdg-utils xkb-data xorg-sgml-doctools xtrans-dev zlib1g-dev
Suggested packages:
  autoconf-archive gnu-standards autoconf-doc cmake-doc ninja-build
  cmake-format gcc-11-locales dh-make flit python3-build python3-tomli
  python3-installer doxygen-latex doxygen-doc doxygen-gui fonts-freefont-otf
  | fonts-freefont-ttf fonts-texgyre gcc-11-doc gettext-doc libasprintf-dev
  libgettextpo-dev gfortran-11-doc libcoarrays-dev ghostscript-x gsfonts
  graphviz-doc groff lrzip libboost-doc libboost1.74-doc gccxml
  libboost-contract1.74-dev libmpfrc++-dev libntl-dev xsltproc docbook-xml
  docbook-xsl default-jdk fop libcairo2-doc colord libavalon-framework-java
  libcommons-logging-java-doc libexcalibur-logkit-java liblog4j1.2-java
  cups-common libeigen3-doc freetype2-doc libgd-tools libgirepository1.0-dev
  libglib2.0-doc libgdk-pixbuf2.0-bin | libgdk-pixbuf2.0-dev libxml2-utils
  gvfs libice-doc icu-doc libjs-jquery-ui-docs liblcms2-utils libtool-doc
  openmpi-doc pciutils lm-sensors libsm-doc libstdc++-11-doc gcj-jdk wx3.0-doc
  libx11-doc xapian-tools libxcb-doc libxext-doc m4-doc apparmor less
  www-browser opencl-icd gfortran | fortran-compiler keychain libpam-ssh
  monkeysphere ssh-askpass libmail-box-perl poppler-utils
  fonts-japanese-mincho | fonts-ipafont-mincho fonts-japanese-gothic
  | fonts-ipafont-gothic fonts-arphic-ukai fonts-arphic-uming fonts-nanum
  python3-doc python3-tk python3-venv python-setuptools-doc python3.9-venv
  python3.9-doc binfmt-support rapidjson-doc swig-doc swig-examples
  swig4.0-examples swig4.0-doc systemd-container libtss2-esys-3.0.2-0
  libtss2-mu0 libtss2-rc0 policykit-1 perl-tk xpdf | pdf-viewer xzdec
  texlive-latex-base-doc python3-pygments icc-profiles libfile-which-perl
  libspreadsheet-parseexcel-perl texlive-latex-extra-doc
  texlive-latex-recommended-doc texlive-luatex texlive-pstricks dot2tex prerex
  texlive-pictures-doc vprerex
Recommended packages:
  librsvg2-common curl | wget | lynx fonts-liberation at-spi2-core
  ca-certificates libarchive-cpio-perl libgdk-pixbuf2.0-bin xdg-user-dirs
  fonts-droid-fallback libgtk-3-bin libgts-bin javascript-common libgpm2
  notification-daemon libcoarrays-openmpi-dev libpng-tools publicsuffix
  mesa-vulkan-drivers | vulkan-icd xauth libmail-sendmail-perl psmisc
  systemd-timesyncd | time-daemon libnss-systemd lmodern dvisvgm
  texlive-fonts-recommended texlive-plain-generic ruby tk zip
  libfile-mimeinfo-perl libnet-dbus-perl libx11-protocol-perl x11-utils
  x11-xserver-utils
The following NEW packages will be installed:
  adwaita-icon-theme autoconf automake autopoint autotools-dev bsdextrautils
  cmake cmake-data cpp-11 dbus dbus-bin dbus-daemon dbus-session-bus-common
  dbus-system-bus-common dbus-user-session dconf-gsettings-backend
  dconf-service debhelper dh-autoreconf dh-elpa-helper dh-python
  dh-strip-nondeterminism dmsetup doxygen dwz emacsen-common file fontconfig
  fontconfig-config fonts-lmodern fonts-urw-base35 gcc-11 gettext gettext-base
  gfortran-11 ghostscript graphviz groff-base gtk-update-icon-cache
  hicolor-icon-theme ibverbs-providers icu-devtools intltool-debian
  libapache-pom-java libapparmor1 libarchive-zip-perl libarchive13 libargon2-1
  libatk-bridge2.0-0 libatk1.0-0 libatk1.0-data libatspi2.0-0 libavahi-client3
  libavahi-common-data libavahi-common3 libblkid-dev libboost-all-dev
  libboost-atomic-dev libboost-atomic1.74-dev libboost-atomic1.74.0
  libboost-chrono-dev libboost-chrono1.74-dev libboost-chrono1.74.0
  libboost-container-dev libboost-container1.74-dev libboost-container1.74.0
  libboost-context-dev libboost-context1.74-dev libboost-context1.74.0
  libboost-coroutine-dev libboost-coroutine1.74-dev libboost-coroutine1.74.0
  libboost-date-time-dev libboost-date-time1.74-dev libboost-date-time1.74.0
  libboost-dev libboost-exception-dev libboost-exception1.74-dev
  libboost-fiber-dev libboost-fiber1.74-dev libboost-fiber1.74.0
  libboost-filesystem-dev libboost-filesystem1.74-dev
  libboost-filesystem1.74.0 libboost-graph-dev libboost-graph-parallel-dev
  libboost-graph-parallel1.74-dev libboost-graph-parallel1.74.0
  libboost-graph1.74-dev libboost-graph1.74.0 libboost-iostreams-dev
  libboost-iostreams1.71.0 libboost-iostreams1.74-dev libboost-iostreams1.74.0
  libboost-locale-dev libboost-locale1.74-dev libboost-locale1.74.0
  libboost-log-dev libboost-log1.74-dev libboost-log1.74.0 libboost-math-dev
  libboost-math1.74-dev libboost-math1.74.0 libboost-mpi-dev
  libboost-mpi-python-dev libboost-mpi-python1.74-dev
  libboost-mpi-python1.74.0 libboost-mpi1.74-dev libboost-mpi1.74.0
  libboost-nowide-dev libboost-nowide1.74-dev libboost-nowide1.74.0
  libboost-numpy-dev libboost-numpy1.74-dev libboost-numpy1.74.0
  libboost-program-options-dev libboost-program-options1.74-dev
  libboost-program-options1.74.0 libboost-python-dev libboost-python1.74-dev
  libboost-python1.74.0 libboost-random-dev libboost-random1.74-dev
  libboost-random1.74.0 libboost-regex-dev libboost-regex1.74-dev
  libboost-regex1.74.0 libboost-serialization-dev
  libboost-serialization1.74-dev libboost-serialization1.74.0
  libboost-stacktrace-dev libboost-stacktrace1.74-dev
  libboost-stacktrace1.74.0 libboost-system-dev libboost-system1.74-dev
  libboost-system1.74.0 libboost-test-dev libboost-test1.74-dev
  libboost-test1.74.0 libboost-thread-dev libboost-thread1.74-dev
  libboost-thread1.74.0 libboost-timer-dev libboost-timer1.74-dev
  libboost-timer1.74.0 libboost-tools-dev libboost-type-erasure-dev
  libboost-type-erasure1.74-dev libboost-type-erasure1.74.0 libboost-wave-dev
  libboost-wave1.74-dev libboost-wave1.74.0 libboost1.74-dev
  libboost1.74-tools-dev libbrotli-dev libbrotli1 libbsd0 libcairo-gobject2
  libcairo-script-interpreter2 libcairo2 libcairo2-dev libcbor0.8 libcdt5
  libcgraph6 libclang-cpp11 libclang1-11 libcolord2 libcommons-logging-java
  libcommons-parent-java libcoordgen-dev libcoordgen3 libcryptsetup12 libcups2
  libcurl3-gnutls libcurl4 libdatrie1 libdbus-1-3 libdconf1 libdebhelper-perl
  libdeflate0 libdevmapper1.02.1 libdrm-amdgpu1 libdrm-common libdrm-nouveau2
  libdrm-radeon1 libdrm2 libedit2 libegl-dev libegl-mesa0 libegl1
  libeigen3-dev libelf1 libepoxy0 libevent-2.1-7 libevent-core-2.1-7
  libevent-dev libevent-extra-2.1-7 libevent-openssl-2.1-7
  libevent-pthreads-2.1-7 libexpat1 libexpat1-dev libfabric1 libfdisk1
  libffi-dev libfido2-1 libfile-stripnondeterminism-perl libfontbox-java
  libfontconfig-dev libfontconfig1 libfontconfig1-dev libfreetype-dev
  libfreetype6 libfreetype6-dev libfribidi0 libgbm1 libgcc-11-dev libgd3
  libgdk-pixbuf-2.0-0 libgdk-pixbuf2.0-common libgfortran-11-dev libgfortran5
  libgl-dev libgl1 libgl1-mesa-dev libgl1-mesa-dri libglapi-mesa libgles-dev
  libgles1 libgles2 libglib2.0-0 libglib2.0-bin libglib2.0-data libglib2.0-dev
  libglib2.0-dev-bin libglu1-mesa libglu1-mesa-dev libglvnd-core-dev
  libglvnd-dev libglvnd0 libglx-dev libglx-mesa0 libglx0 libgraphite2-3 libgs9
  libgs9-common libgtk-3-0 libgtk-3-common libgts-0.7-5 libgvc6 libgvpr2
  libharfbuzz0b libhwloc-dev libhwloc-plugins libhwloc15 libibverbs-dev
  libibverbs1 libice-dev libice6 libicu-dev libicu67 libidn12 libijs-0.35
  libinchi-dev libinchi1 libip4tc2 libjbig0 libjbig2dec0 libjpeg62-turbo
  libjs-jquery libjs-jquery-ui libjs-sphinxdoc libjs-underscore libjson-c5
  libjsoncpp25 libkmod2 libkpathsea6 liblab-gamut1 liblcms2-2 libllvm11
  libllvm12 libltdl-dev libltdl7 liblzo2-2 libmaeparser-dev libmaeparser1
  libmagic-mgc libmagic1 libmd0 libmount-dev libmpdec3 libncurses6
  libnghttp2-14 libnl-3-200 libnl-3-dev libnl-route-3-200 libnl-route-3-dev
  libnotify4 libnuma-dev libnuma1 libopengl-dev libopengl0 libopenjp2-7
  libopenmpi-dev libopenmpi3 libpam-systemd libpango-1.0-0 libpangocairo-1.0-0
  libpangoft2-1.0-0 libpaper-utils libpaper1 libpathplan4 libpciaccess0
  libpcre16-3 libpcre2-16-0 libpcre2-32-0 libpcre2-dev libpcre2-posix3
  libpcre3-dev libpcre32-3 libpcrecpp0v5 libpdfbox-java libperl-dev
  libpipeline1 libpixman-1-0 libpixman-1-dev libpmix-dev libpmix2 libpng-dev
  libpng16-16 libprocps8 libpsl5 libptexenc1 libpthread-stubs0-dev
  libpython3-dev libpython3-stdlib libpython3.9 libpython3.9-dev
  libpython3.9-minimal libpython3.9-stdlib librdmacm1 librhash0 librtmp1
  libselinux1-dev libsensors-config libsensors5 libsepol-dev libsepol2
  libsigsegv2 libsm-dev libsm6 libssh2-1 libstdc++-11-dev libsub-override-perl
  libsynctex2 libteckit0 libtexlua53 libtexluajit2 libthai-data libthai0
  libtiff5 libtool libuchardet0 libuv1 libvulkan1 libwayland-client0
  libwayland-cursor0 libwayland-egl1 libwayland-server0 libwebp6
  libwxbase3.0-0v5 libwxbase3.0-dev libwxgtk3.0-gtk3-0v5 libwxgtk3.0-gtk3-dev
  libx11-6 libx11-data libx11-dev libx11-xcb1 libxapian30 libxau-dev libxau6
  libxaw7 libxcb-dri2-0 libxcb-dri3-0 libxcb-glx0 libxcb-present0
  libxcb-render0 libxcb-render0-dev libxcb-shm0 libxcb-shm0-dev libxcb-sync1
  libxcb-xfixes0 libxcb1 libxcb1-dev libxcomposite1 libxcursor1 libxdamage1
  libxdmcp-dev libxdmcp6 libxext-dev libxext6 libxfixes3 libxi6 libxinerama1
  libxkbcommon0 libxml2 libxml2-dev libxmu6 libxnvctrl0 libxpm4 libxrandr2
  libxrender-dev libxrender1 libxshmfence1 libxt6 libxxf86vm1 libz3-4
  libzzip-0-13 m4 man-db media-types mpi-default-bin mpi-default-dev
  ocl-icd-libopencl1 openmpi-bin openmpi-common openssh-client pkg-config
  po-debconf poppler-data preview-latex-style procps python3 python3-all
  python3-dev python3-distutils python3-lib2to3 python3-minimal
  python3-pkg-resources python3-setuptools python3.9 python3.9-dev
  python3.9-minimal rapidjson-dev sbuild-build-depends-openbabel-dummy
  sensible-utils shared-mime-info swig swig4.0 systemd systemd-sysv t1utils
  tex-common texlive-base texlive-binaries texlive-latex-base
  texlive-latex-extra texlive-latex-recommended texlive-pictures ucf uuid-dev
  wx-common wx3.0-headers x11-common x11proto-dev xdg-utils xkb-data
  xorg-sgml-doctools xtrans-dev zlib1g-dev
The following packages will be upgraded:
  gcc-11-base libasan6 libatomic1 libcc1-0 libgcc-s1 libgomp1 libstdc++6
  libubsan1
8 upgraded, 469 newly installed, 0 to remove and 11 not upgraded.
Need to get 336 MB of archives.
After this operation, 1505 MB of additional disk space will be used.
Get:1 copy:/<<BUILDDIR>>/resolver-ZmE3zg/apt_archive ./ sbuild-build-depends-openbabel-dummy 0.invalid.0 [1028 B]
Get:2 http://172.17.4.1/private bookworm-staging/main armhf libapparmor1 armhf 3.0.3-6 [98.5 kB]
Get:3 http://172.17.4.1/private bookworm-staging/main armhf libargon2-1 armhf 0~20171227-0.2 [20.4 kB]
Get:4 http://172.17.4.1/private bookworm-staging/main armhf dmsetup armhf 2:1.02.175-2.1 [91.4 kB]
Get:5 http://172.17.4.1/private bookworm-staging/main armhf libdevmapper1.02.1 armhf 2:1.02.175-2.1 [134 kB]
Get:6 http://172.17.4.1/private bookworm-staging/main armhf libjson-c5 armhf 0.15-2 [38.7 kB]
Get:7 http://172.17.4.1/private bookworm-staging/main armhf libcryptsetup12 armhf 2:2.4.3-1 [216 kB]
Get:8 http://172.17.4.1/private bookworm-staging/main armhf libfdisk1 armhf 2.37.3-1 [229 kB]
Get:9 http://172.17.4.1/private bookworm-staging/main armhf libip4tc2 armhf 1.8.7-1 [32.7 kB]
Get:10 http://172.17.4.1/private bookworm-staging/main armhf libkmod2 armhf 29-1 [49.1 kB]
Get:11 http://172.17.4.1/private bookworm-staging/main armhf systemd armhf 250.3-2+rpi1 [4457 kB]
Get:12 http://172.17.4.1/private bookworm-staging/main armhf systemd-sysv armhf 250.3-2+rpi1 [120 kB]
Get:13 http://172.17.4.1/private bookworm-staging/main armhf libdbus-1-3 armhf 1.12.20-3 [195 kB]
Get:14 http://172.17.4.1/private bookworm-staging/main armhf dbus-bin armhf 1.12.20-3 [122 kB]
Get:15 http://172.17.4.1/private bookworm-staging/main armhf dbus-session-bus-common all 1.12.20-3 [97.3 kB]
Get:16 http://172.17.4.1/private bookworm-staging/main armhf libasan6 armhf 11.2.0-16+rpi1 [1946 kB]
Get:17 http://172.17.4.1/private bookworm-staging/main armhf libubsan1 armhf 11.2.0-16+rpi1 [798 kB]
Get:18 http://172.17.4.1/private bookworm-staging/main armhf libgomp1 armhf 11.2.0-16+rpi1 [87.9 kB]
Get:19 http://172.17.4.1/private bookworm-staging/main armhf gcc-11-base armhf 11.2.0-16+rpi1 [207 kB]
Get:20 http://172.17.4.1/private bookworm-staging/main armhf libgcc-s1 armhf 11.2.0-16+rpi1 [36.2 kB]
Get:21 http://172.17.4.1/private bookworm-staging/main armhf libcc1-0 armhf 11.2.0-16+rpi1 [37.7 kB]
Get:22 http://172.17.4.1/private bookworm-staging/main armhf libatomic1 armhf 11.2.0-16+rpi1 [8180 B]
Get:23 http://172.17.4.1/private bookworm-staging/main armhf libstdc++6 armhf 11.2.0-16+rpi1 [466 kB]
Get:24 http://172.17.4.1/private bookworm-staging/main armhf libexpat1 armhf 2.4.4-1 [82.4 kB]
Get:25 http://172.17.4.1/private bookworm-staging/main armhf dbus-daemon armhf 1.12.20-3 [180 kB]
Get:26 http://172.17.4.1/private bookworm-staging/main armhf dbus-system-bus-common all 1.12.20-3 [98.4 kB]
Get:27 http://172.17.4.1/private bookworm-staging/main armhf dbus armhf 1.12.20-3 [114 kB]
Get:28 http://172.17.4.1/private bookworm-staging/main armhf poppler-data all 0.4.11-1 [1608 kB]
Get:29 http://172.17.4.1/private bookworm-staging/main armhf libpython3.9-minimal armhf 3.9.10-1+rpi1 [794 kB]
Get:30 http://172.17.4.1/private bookworm-staging/main armhf python3.9-minimal armhf 3.9.10-1+rpi1 [1595 kB]
Get:31 http://172.17.4.1/private bookworm-staging/main armhf python3-minimal armhf 3.9.7-1+b4 [38.7 kB]
Get:32 http://172.17.4.1/private bookworm-staging/main armhf media-types all 5.0.0 [32.5 kB]
Get:33 http://172.17.4.1/private bookworm-staging/main armhf libmpdec3 armhf 2.5.1-2+rpi1 [73.5 kB]
Get:34 http://172.17.4.1/private bookworm-staging/main armhf libpython3.9-stdlib armhf 3.9.10-1+rpi1 [1611 kB]
Get:35 http://172.17.4.1/private bookworm-staging/main armhf python3.9 armhf 3.9.10-1+rpi1 [488 kB]
Get:36 http://172.17.4.1/private bookworm-staging/main armhf libpython3-stdlib armhf 3.9.7-1+b4 [21.8 kB]
Get:37 http://172.17.4.1/private bookworm-staging/main armhf python3 armhf 3.9.7-1+b4 [38.3 kB]
Get:38 http://172.17.4.1/private bookworm-staging/main armhf sensible-utils all 0.0.17 [21.5 kB]
Get:39 http://172.17.4.1/private bookworm-staging/main armhf ucf all 3.0043 [74.0 kB]
Get:40 http://172.17.4.1/private bookworm-staging/main armhf tex-common all 6.17 [53.6 kB]
Get:41 http://172.17.4.1/private bookworm-staging/main armhf libuchardet0 armhf 0.0.7-1 [65.0 kB]
Get:42 http://172.17.4.1/private bookworm-staging/main armhf groff-base armhf 1.22.4-8 [793 kB]
Get:43 http://172.17.4.1/private bookworm-staging/main armhf bsdextrautils armhf 2.37.3-1 [136 kB]
Get:44 http://172.17.4.1/private bookworm-staging/main armhf libpipeline1 armhf 1.5.5-1 [32.9 kB]
Get:45 http://172.17.4.1/private bookworm-staging/main armhf man-db armhf 2.10.0-2 [1356 kB]
Get:46 http://172.17.4.1/private bookworm-staging/main armhf libncurses6 armhf 6.3-2 [79.6 kB]
Get:47 http://172.17.4.1/private bookworm-staging/main armhf libprocps8 armhf 2:3.3.17-6 [60.6 kB]
Get:48 http://172.17.4.1/private bookworm-staging/main armhf procps armhf 2:3.3.17-6 [476 kB]
Get:49 http://172.17.4.1/private bookworm-staging/main armhf libmagic-mgc armhf 1:5.41-2 [295 kB]
Get:50 http://172.17.4.1/private bookworm-staging/main armhf libmagic1 armhf 1:5.41-2 [119 kB]
Get:51 http://172.17.4.1/private bookworm-staging/main armhf file armhf 1:5.41-2 [65.8 kB]
Get:52 http://172.17.4.1/private bookworm-staging/main armhf gettext-base armhf 0.21-4 [171 kB]
Get:53 http://172.17.4.1/private bookworm-staging/main armhf libpam-systemd armhf 250.3-2+rpi1 [276 kB]
Get:54 http://172.17.4.1/private bookworm-staging/main armhf libmd0 armhf 1.0.4-1 [28.9 kB]
Get:55 http://172.17.4.1/private bookworm-staging/main armhf libbsd0 armhf 0.11.5-1 [108 kB]
Get:56 http://172.17.4.1/private bookworm-staging/main armhf libedit2 armhf 3.1-20210910-1 [81.2 kB]
Get:57 http://172.17.4.1/private bookworm-staging/main armhf libcbor0.8 armhf 0.8.0-2 [22.8 kB]
Get:58 http://172.17.4.1/private bookworm-staging/main armhf libfido2-1 armhf 1.10.0-1 [65.1 kB]
Get:59 http://172.17.4.1/private bookworm-staging/main armhf openssh-client armhf 1:8.7p1-4 [882 kB]
Get:60 http://172.17.4.1/private bookworm-staging/main armhf hicolor-icon-theme all 0.17-2 [11.4 kB]
Get:61 http://172.17.4.1/private bookworm-staging/main armhf libgdk-pixbuf2.0-common all 2.42.6+dfsg-2 [327 kB]
Get:62 http://172.17.4.1/private bookworm-staging/main armhf libglib2.0-0 armhf 2.70.3-1 [1209 kB]
Get:63 http://172.17.4.1/private bookworm-staging/main armhf libicu67 armhf 67.1-7 [8291 kB]
Get:64 http://172.17.4.1/private bookworm-staging/main armhf libxml2 armhf 2.9.12+dfsg-5 [584 kB]
Get:65 http://172.17.4.1/private bookworm-staging/main armhf shared-mime-info armhf 2.1-2 [720 kB]
Get:66 http://172.17.4.1/private bookworm-staging/main armhf libjpeg62-turbo armhf 1:2.1.2-1 [144 kB]
Get:67 http://172.17.4.1/private bookworm-staging/main armhf libpng16-16 armhf 1.6.37-3 [276 kB]
Get:68 http://172.17.4.1/private bookworm-staging/main armhf libdeflate0 armhf 1.8-1 [44.1 kB]
Get:69 http://172.17.4.1/private bookworm-staging/main armhf libjbig0 armhf 2.1-3.1+b2 [27.6 kB]
Get:70 http://172.17.4.1/private bookworm-staging/main armhf libwebp6 armhf 0.6.1-2.1 [225 kB]
Get:71 http://172.17.4.1/private bookworm-staging/main armhf libtiff5 armhf 4.3.0-3 [272 kB]
Get:72 http://172.17.4.1/private bookworm-staging/main armhf libgdk-pixbuf-2.0-0 armhf 2.42.6+dfsg-2 [139 kB]
Get:73 http://172.17.4.1/private bookworm-staging/main armhf gtk-update-icon-cache armhf 3.24.31-1 [89.3 kB]
Get:74 http://172.17.4.1/private bookworm-staging/main armhf adwaita-icon-theme all 41.0-1 [10.8 MB]
Get:75 http://172.17.4.1/private bookworm-staging/main armhf libsigsegv2 armhf 2.14-1 [36.6 kB]
Get:76 http://172.17.4.1/private bookworm-staging/main armhf m4 armhf 1.4.18-5 [186 kB]
Get:77 http://172.17.4.1/private bookworm-staging/main armhf autoconf all 2.71-2 [343 kB]
Get:78 http://172.17.4.1/private bookworm-staging/main armhf autotools-dev all 20220109.1 [51.6 kB]
Get:79 http://172.17.4.1/private bookworm-staging/main armhf automake all 1:1.16.5-1.1 [823 kB]
Get:80 http://172.17.4.1/private bookworm-staging/main armhf autopoint all 0.21-4 [510 kB]
Get:81 http://172.17.4.1/private bookworm-staging/main armhf libarchive13 armhf 3.5.2-1 [301 kB]
Get:82 http://172.17.4.1/private bookworm-staging/main armhf libbrotli1 armhf 1.0.9-2+b1 [261 kB]
Get:83 http://172.17.4.1/private bookworm-staging/main armhf libnghttp2-14 armhf 1.43.0-1 [65.3 kB]
Get:84 http://172.17.4.1/private bookworm-staging/main armhf libpsl5 armhf 0.21.0-1.2 [56.2 kB]
Get:85 http://172.17.4.1/private bookworm-staging/main armhf librtmp1 armhf 2.4+20151223.gitfa8646d.1-2+b2 [54.2 kB]
Get:86 http://172.17.4.1/private bookworm-staging/main armhf libssh2-1 armhf 1.10.0-2 [161 kB]
Get:87 http://172.17.4.1/private bookworm-staging/main armhf libcurl4 armhf 7.81.0-1 [318 kB]
Get:88 http://172.17.4.1/private bookworm-staging/main armhf libjsoncpp25 armhf 1.9.5-3 [66.6 kB]
Get:89 http://172.17.4.1/private bookworm-staging/main armhf librhash0 armhf 1.4.2-1 [141 kB]
Get:90 http://172.17.4.1/private bookworm-staging/main armhf libuv1 armhf 1.43.0-1 [122 kB]
Get:91 http://172.17.4.1/private bookworm-staging/main armhf dh-elpa-helper all 2.0.10 [11.3 kB]
Get:92 http://172.17.4.1/private bookworm-staging/main armhf emacsen-common all 3.0.4 [19.3 kB]
Get:93 http://172.17.4.1/private bookworm-staging/main armhf cmake-data all 3.22.1-1 [1905 kB]
Get:94 http://172.17.4.1/private bookworm-staging/main armhf cmake armhf 3.22.1-1+b1 [3478 kB]
Get:95 http://172.17.4.1/private bookworm-staging/main armhf cpp-11 armhf 11.2.0-16+rpi1 [7074 kB]
Get:96 http://172.17.4.1/private bookworm-staging/main armhf dbus-user-session armhf 1.12.20-3 [97.2 kB]
Get:97 http://172.17.4.1/private bookworm-staging/main armhf libdconf1 armhf 0.40.0-3 [42.5 kB]
Get:98 http://172.17.4.1/private bookworm-staging/main armhf dconf-service armhf 0.40.0-3 [35.4 kB]
Get:99 http://172.17.4.1/private bookworm-staging/main armhf dconf-gsettings-backend armhf 0.40.0-3 [29.4 kB]
Get:100 http://172.17.4.1/private bookworm-staging/main armhf libdebhelper-perl all 13.6 [193 kB]
Get:101 http://172.17.4.1/private bookworm-staging/main armhf libgcc-11-dev armhf 11.2.0-16+rpi1 [696 kB]
Get:102 http://172.17.4.1/private bookworm-staging/main armhf gcc-11 armhf 11.2.0-16+rpi1 [14.0 MB]
Get:103 http://172.17.4.1/private bookworm-staging/main armhf libtool all 2.4.6-15 [513 kB]
Get:104 http://172.17.4.1/private bookworm-staging/main armhf dh-autoreconf all 20 [17.1 kB]
Get:105 http://172.17.4.1/private bookworm-staging/main armhf libarchive-zip-perl all 1.68-1 [104 kB]
Get:106 http://172.17.4.1/private bookworm-staging/main armhf libsub-override-perl all 0.09-2 [10.2 kB]
Get:107 http://172.17.4.1/private bookworm-staging/main armhf libfile-stripnondeterminism-perl all 1.13.0-1 [26.6 kB]
Get:108 http://172.17.4.1/private bookworm-staging/main armhf dh-strip-nondeterminism all 1.13.0-1 [15.8 kB]
Get:109 http://172.17.4.1/private bookworm-staging/main armhf libelf1 armhf 0.186-1 [174 kB]
Get:110 http://172.17.4.1/private bookworm-staging/main armhf dwz armhf 0.14-1 [83.0 kB]
Get:111 http://172.17.4.1/private bookworm-staging/main armhf gettext armhf 0.21-4 [1215 kB]
Get:112 http://172.17.4.1/private bookworm-staging/main armhf intltool-debian all 0.35.0+20060710.5 [26.8 kB]
Get:113 http://172.17.4.1/private bookworm-staging/main armhf po-debconf all 1.0.21+nmu1 [248 kB]
Get:114 http://172.17.4.1/private bookworm-staging/main armhf debhelper all 13.6 [1054 kB]
Get:115 http://172.17.4.1/private bookworm-staging/main armhf python3-lib2to3 all 3.9.10-1 [79.4 kB]
Get:116 http://172.17.4.1/private bookworm-staging/main armhf python3-distutils all 3.9.10-1 [146 kB]
Get:117 http://172.17.4.1/private bookworm-staging/main armhf dh-python all 5.20220119 [110 kB]
Get:118 http://172.17.4.1/private bookworm-staging/main armhf libz3-4 armhf 4.8.12-1 [5758 kB]
Get:119 http://172.17.4.1/private bookworm-staging/main armhf libllvm11 armhf 1:11.1.0-6+rpi1+b1 [15.7 MB]
Get:120 http://172.17.4.1/private bookworm-staging/main armhf libclang-cpp11 armhf 1:11.1.0-6+rpi1+b1 [8279 kB]
Get:121 http://172.17.4.1/private bookworm-staging/main armhf libclang1-11 armhf 1:11.1.0-6+rpi1+b1 [4649 kB]
Get:122 http://172.17.4.1/private bookworm-staging/main armhf libxapian30 armhf 1.4.18-4+b1 [968 kB]
Get:123 http://172.17.4.1/private bookworm-staging/main armhf doxygen armhf 1.9.1-2 [3480 kB]
Get:124 http://172.17.4.1/private bookworm-staging/main armhf libfreetype6 armhf 2.11.1+dfsg-1 [334 kB]
Get:125 http://172.17.4.1/private bookworm-staging/main armhf fonts-urw-base35 all 20200910-1 [6367 kB]
Get:126 http://172.17.4.1/private bookworm-staging/main armhf fontconfig-config all 2.13.1-4.4 [281 kB]
Get:127 http://172.17.4.1/private bookworm-staging/main armhf libfontconfig1 armhf 2.13.1-4.4 [331 kB]
Get:128 http://172.17.4.1/private bookworm-staging/main armhf fontconfig armhf 2.13.1-4.4 [416 kB]
Get:129 http://172.17.4.1/private bookworm-staging/main armhf fonts-lmodern all 2.004.5-6.1 [4540 kB]
Get:130 http://172.17.4.1/private bookworm-staging/main armhf libgfortran5 armhf 11.2.0-16+rpi1 [235 kB]
Get:131 http://172.17.4.1/private bookworm-staging/main armhf libgfortran-11-dev armhf 11.2.0-16+rpi1 [280 kB]
Get:132 http://172.17.4.1/private bookworm-staging/main armhf gfortran-11 armhf 11.2.0-16+rpi1 [7578 kB]
Get:133 http://172.17.4.1/private bookworm-staging/main armhf libgs9-common all 9.55.0~dfsg-3 [745 kB]
Get:134 http://172.17.4.1/private bookworm-staging/main armhf libavahi-common-data armhf 0.8-5 [123 kB]
Get:135 http://172.17.4.1/private bookworm-staging/main armhf libavahi-common3 armhf 0.8-5 [55.3 kB]
Get:136 http://172.17.4.1/private bookworm-staging/main armhf libavahi-client3 armhf 0.8-5 [57.9 kB]
Get:137 http://172.17.4.1/private bookworm-staging/main armhf libcups2 armhf 2.3.3op2-7+b1 [311 kB]
Get:138 http://172.17.4.1/private bookworm-staging/main armhf libidn12 armhf 1.38-4 [80.7 kB]
Get:139 http://172.17.4.1/private bookworm-staging/main armhf libijs-0.35 armhf 0.35-15 [14.7 kB]
Get:140 http://172.17.4.1/private bookworm-staging/main armhf libjbig2dec0 armhf 0.19-3+b2 [58.6 kB]
Get:141 http://172.17.4.1/private bookworm-staging/main armhf liblcms2-2 armhf 2.12~rc1-2 [121 kB]
Get:142 http://172.17.4.1/private bookworm-staging/main armhf libopenjp2-7 armhf 2.4.0-6 [150 kB]
Get:143 http://172.17.4.1/private bookworm-staging/main armhf libpaper1 armhf 1.1.28 [20.5 kB]
Get:144 http://172.17.4.1/private bookworm-staging/main armhf libgs9 armhf 9.55.0~dfsg-3 [2150 kB]
Get:145 http://172.17.4.1/private bookworm-staging/main armhf ghostscript armhf 9.55.0~dfsg-3 [98.5 kB]
Get:146 http://172.17.4.1/private bookworm-staging/main armhf libcdt5 armhf 2.42.2-6+b1 [60.0 kB]
Get:147 http://172.17.4.1/private bookworm-staging/main armhf libcgraph6 armhf 2.42.2-6+b1 [78.9 kB]
Get:148 http://172.17.4.1/private bookworm-staging/main armhf libxau6 armhf 1:1.0.9-1 [19.1 kB]
Get:149 http://172.17.4.1/private bookworm-staging/main armhf libxdmcp6 armhf 1:1.1.2-3 [25.0 kB]
Get:150 http://172.17.4.1/private bookworm-staging/main armhf libxcb1 armhf 1.14-3 [136 kB]
Get:151 http://172.17.4.1/private bookworm-staging/main armhf libx11-data all 2:1.7.2-2 [311 kB]
Get:152 http://172.17.4.1/private bookworm-staging/main armhf libx11-6 armhf 2:1.7.2-2 [704 kB]
Get:153 http://172.17.4.1/private bookworm-staging/main armhf libxpm4 armhf 1:3.5.12-1 [43.6 kB]
Get:154 http://172.17.4.1/private bookworm-staging/main armhf libgd3 armhf 2.3.0-2 [116 kB]
Get:155 http://172.17.4.1/private bookworm-staging/main armhf libgts-0.7-5 armhf 0.7.6+darcs121130-5 [134 kB]
Get:156 http://172.17.4.1/private bookworm-staging/main armhf libpixman-1-0 armhf 0.40.0-1 [463 kB]
Get:157 http://172.17.4.1/private bookworm-staging/main armhf libxcb-render0 armhf 1.14-3 [110 kB]
Get:158 http://172.17.4.1/private bookworm-staging/main armhf libxcb-shm0 armhf 1.14-3 [101 kB]
Get:159 http://172.17.4.1/private bookworm-staging/main armhf libxext6 armhf 2:1.3.4-1 [48.0 kB]
Get:160 http://172.17.4.1/private bookworm-staging/main armhf libxrender1 armhf 1:0.9.10-1 [29.9 kB]
Get:161 http://172.17.4.1/private bookworm-staging/main armhf libcairo2 armhf 1.16.0-5 [602 kB]
Get:162 http://172.17.4.1/private bookworm-staging/main armhf libltdl7 armhf 2.4.6-15 [388 kB]
Get:163 http://172.17.4.1/private bookworm-staging/main armhf libfribidi0 armhf 1.0.8-2 [63.5 kB]
Get:164 http://172.17.4.1/private bookworm-staging/main armhf libgraphite2-3 armhf 1.3.14-1 [70.3 kB]
Get:165 http://172.17.4.1/private bookworm-staging/main armhf libharfbuzz0b armhf 2.7.4-1 [1422 kB]
Get:166 http://172.17.4.1/private bookworm-staging/main armhf libthai-data all 0.1.29-1 [176 kB]
Get:167 http://172.17.4.1/private bookworm-staging/main armhf libdatrie1 armhf 0.2.13-2+b2 [39.9 kB]
Get:168 http://172.17.4.1/private bookworm-staging/main armhf libthai0 armhf 0.1.29-1 [54.5 kB]
Get:169 http://172.17.4.1/private bookworm-staging/main armhf libpango-1.0-0 armhf 1.50.3+ds1-6 [213 kB]
Get:170 http://172.17.4.1/private bookworm-staging/main armhf libpangoft2-1.0-0 armhf 1.50.3+ds1-6 [69.9 kB]
Get:171 http://172.17.4.1/private bookworm-staging/main armhf libpangocairo-1.0-0 armhf 1.50.3+ds1-6 [59.9 kB]
Get:172 http://172.17.4.1/private bookworm-staging/main armhf libpathplan4 armhf 2.42.2-6+b1 [62.2 kB]
Get:173 http://172.17.4.1/private bookworm-staging/main armhf libgvc6 armhf 2.42.2-6+b1 [585 kB]
Get:174 http://172.17.4.1/private bookworm-staging/main armhf libgvpr2 armhf 2.42.2-6+b1 [184 kB]
Get:175 http://172.17.4.1/private bookworm-staging/main armhf liblab-gamut1 armhf 2.42.2-6+b1 [221 kB]
Get:176 http://172.17.4.1/private bookworm-staging/main armhf x11-common all 1:7.7+23 [252 kB]
Get:177 http://172.17.4.1/private bookworm-staging/main armhf libice6 armhf 2:1.0.10-1 [51.7 kB]
Get:178 http://172.17.4.1/private bookworm-staging/main armhf libsm6 armhf 2:1.2.3-1 [32.9 kB]
Get:179 http://172.17.4.1/private bookworm-staging/main armhf libxt6 armhf 1:1.2.0-1 [159 kB]
Get:180 http://172.17.4.1/private bookworm-staging/main armhf libxmu6 armhf 2:1.1.2-2+b3 [52.1 kB]
Get:181 http://172.17.4.1/private bookworm-staging/main armhf libxaw7 armhf 2:1.0.13-1.1 [166 kB]
Get:182 http://172.17.4.1/private bookworm-staging/main armhf graphviz armhf 2.42.2-6+b1 [498 kB]
Get:183 http://172.17.4.1/private bookworm-staging/main armhf libnl-3-200 armhf 3.4.0-1 [55.0 kB]
Get:184 http://172.17.4.1/private bookworm-staging/main armhf libnl-route-3-200 armhf 3.4.0-1 [132 kB]
Get:185 http://172.17.4.1/private bookworm-staging/main armhf libibverbs1 armhf 39.0-1 [53.6 kB]
Get:186 http://172.17.4.1/private bookworm-staging/main armhf ibverbs-providers armhf 39.0-1 [28.6 kB]
Get:187 http://172.17.4.1/private bookworm-staging/main armhf icu-devtools armhf 67.1-7 [172 kB]
Get:188 http://172.17.4.1/private bookworm-staging/main armhf libapache-pom-java all 18-1 [4676 B]
Get:189 http://172.17.4.1/private bookworm-staging/main armhf libatk1.0-data all 2.36.0-3 [149 kB]
Get:190 http://172.17.4.1/private bookworm-staging/main armhf libatk1.0-0 armhf 2.36.0-3 [44.2 kB]
Get:191 http://172.17.4.1/private bookworm-staging/main armhf libxi6 armhf 2:1.8-1 [78.1 kB]
Get:192 http://172.17.4.1/private bookworm-staging/main armhf libatspi2.0-0 armhf 2.42.0-2 [67.4 kB]
Get:193 http://172.17.4.1/private bookworm-staging/main armhf libatk-bridge2.0-0 armhf 2.38.0-3 [55.8 kB]
Get:194 http://172.17.4.1/private bookworm-staging/main armhf uuid-dev armhf 2.37.3-1 [94.8 kB]
Get:195 http://172.17.4.1/private bookworm-staging/main armhf libblkid-dev armhf 2.37.3-1 [217 kB]
Get:196 http://172.17.4.1/private bookworm-staging/main armhf libstdc++-11-dev armhf 11.2.0-16+rpi1 [1963 kB]
Get:197 http://172.17.4.1/private bookworm-staging/main armhf libboost1.74-dev armhf 1.74.0-14 [9533 kB]
Get:198 http://172.17.4.1/private bookworm-staging/main armhf libboost-dev armhf 1.74.0.3+b4 [4824 B]
Get:199 http://172.17.4.1/private bookworm-staging/main armhf libboost1.74-tools-dev armhf 1.74.0-14 [1233 kB]
Get:200 http://172.17.4.1/private bookworm-staging/main armhf libboost-tools-dev armhf 1.74.0.3+b4 [4784 B]
Get:201 http://172.17.4.1/private bookworm-staging/main armhf libboost-atomic1.74.0 armhf 1.74.0-14 [244 kB]
Get:202 http://172.17.4.1/private bookworm-staging/main armhf libboost-atomic1.74-dev armhf 1.74.0-14 [245 kB]
Get:203 http://172.17.4.1/private bookworm-staging/main armhf libboost-atomic-dev armhf 1.74.0.3+b4 [4912 B]
Get:204 http://172.17.4.1/private bookworm-staging/main armhf libboost-chrono1.74.0 armhf 1.74.0-14 [249 kB]
Get:205 http://172.17.4.1/private bookworm-staging/main armhf libboost-chrono1.74-dev armhf 1.74.0-14 [254 kB]
Get:206 http://172.17.4.1/private bookworm-staging/main armhf libboost-chrono-dev armhf 1.74.0.3+b4 [5232 B]
Get:207 http://172.17.4.1/private bookworm-staging/main armhf libboost-container1.74.0 armhf 1.74.0-14 [265 kB]
Get:208 http://172.17.4.1/private bookworm-staging/main armhf libboost-container1.74-dev armhf 1.74.0-14 [269 kB]
Get:209 http://172.17.4.1/private bookworm-staging/main armhf libboost-container-dev armhf 1.74.0.3+b4 [5088 B]
Get:210 http://172.17.4.1/private bookworm-staging/main armhf libboost-date-time1.74.0 armhf 1.74.0-14 [242 kB]
Get:211 http://172.17.4.1/private bookworm-staging/main armhf libboost-serialization1.74.0 armhf 1.74.0-14 [319 kB]
Get:212 http://172.17.4.1/private bookworm-staging/main armhf libboost-serialization1.74-dev armhf 1.74.0-14 [387 kB]
Get:213 http://172.17.4.1/private bookworm-staging/main armhf libboost-date-time1.74-dev armhf 1.74.0-14 [251 kB]
Get:214 http://172.17.4.1/private bookworm-staging/main armhf libboost-system1.74.0 armhf 1.74.0-14 [242 kB]
Get:215 http://172.17.4.1/private bookworm-staging/main armhf libboost-system1.74-dev armhf 1.74.0-14 [243 kB]
Get:216 http://172.17.4.1/private bookworm-staging/main armhf libboost-thread1.74.0 armhf 1.74.0-14 [272 kB]
Get:217 http://172.17.4.1/private bookworm-staging/main armhf libboost-thread1.74-dev armhf 1.74.0-14 [284 kB]
Get:218 http://172.17.4.1/private bookworm-staging/main armhf libboost-context1.74.0 armhf 1.74.0-14 [243 kB]
Get:219 http://172.17.4.1/private bookworm-staging/main armhf libboost-context1.74-dev armhf 1.74.0-14 [245 kB]
Get:220 http://172.17.4.1/private bookworm-staging/main armhf libboost-context-dev armhf 1.74.0.3+b4 [4812 B]
Get:221 http://172.17.4.1/private bookworm-staging/main armhf libboost-coroutine1.74.0 armhf 1.74.0-14 [252 kB]
Get:222 http://172.17.4.1/private bookworm-staging/main armhf libboost-coroutine1.74-dev armhf 1.74.0-14 [258 kB]
Get:223 http://172.17.4.1/private bookworm-staging/main armhf libboost-coroutine-dev armhf 1.74.0.3+b4 [4884 B]
Get:224 http://172.17.4.1/private bookworm-staging/main armhf libboost-date-time-dev armhf 1.74.0.3+b4 [4604 B]
Get:225 http://172.17.4.1/private bookworm-staging/main armhf libboost-exception1.74-dev armhf 1.74.0-14 [242 kB]
Get:226 http://172.17.4.1/private bookworm-staging/main armhf libboost-exception-dev armhf 1.74.0.3+b4 [4596 B]
Get:227 http://172.17.4.1/private bookworm-staging/main armhf libboost-filesystem1.74.0 armhf 1.74.0-14 [274 kB]
Get:228 http://172.17.4.1/private bookworm-staging/main armhf libboost-filesystem1.74-dev armhf 1.74.0-14 [285 kB]
Get:229 http://172.17.4.1/private bookworm-staging/main armhf libboost-fiber1.74.0 armhf 1.74.0-14 [262 kB]
Get:230 http://172.17.4.1/private bookworm-staging/main armhf libboost-fiber1.74-dev armhf 1.74.0-14 [274 kB]
Get:231 http://172.17.4.1/private bookworm-staging/main armhf libboost-fiber-dev armhf 1.74.0.3+b4 [5036 B]
Get:232 http://172.17.4.1/private bookworm-staging/main armhf libboost-filesystem-dev armhf 1.74.0.3+b4 [4636 B]
Get:233 http://172.17.4.1/private bookworm-staging/main armhf libboost-regex1.74.0 armhf 1.74.0-14 [449 kB]
Get:234 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph1.74.0 armhf 1.74.0-14 [307 kB]
Get:235 http://172.17.4.1/private bookworm-staging/main armhf libicu-dev armhf 67.1-7 [9228 kB]
Get:236 http://172.17.4.1/private bookworm-staging/main armhf libboost-regex1.74-dev armhf 1.74.0-14 [551 kB]
Get:237 http://172.17.4.1/private bookworm-staging/main armhf libboost-test1.74.0 armhf 1.74.0-14 [429 kB]
Get:238 http://172.17.4.1/private bookworm-staging/main armhf libboost-test1.74-dev armhf 1.74.0-14 [516 kB]
Get:239 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph1.74-dev armhf 1.74.0-14 [338 kB]
Get:240 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph-dev armhf 1.74.0.3+b4 [4712 B]
Get:241 http://172.17.4.1/private bookworm-staging/main armhf libevent-core-2.1-7 armhf 2.1.12-stable-1 [126 kB]
Get:242 http://172.17.4.1/private bookworm-staging/main armhf libevent-pthreads-2.1-7 armhf 2.1.12-stable-1 [56.8 kB]
Get:243 http://172.17.4.1/private bookworm-staging/main armhf librdmacm1 armhf 39.0-1 [60.4 kB]
Get:244 http://172.17.4.1/private bookworm-staging/main armhf libfabric1 armhf 1.11.0-3 [310 kB]
Get:245 http://172.17.4.1/private bookworm-staging/main armhf libhwloc15 armhf 2.7.0-2 [127 kB]
Get:246 http://172.17.4.1/private bookworm-staging/main armhf libcurl3-gnutls armhf 7.81.0-1 [315 kB]
Get:247 http://172.17.4.1/private bookworm-staging/main armhf libpciaccess0 armhf 0.16-3 [51.2 kB]
Get:248 http://172.17.4.1/private bookworm-staging/main armhf libxnvctrl0 armhf 470.103.01-1 [26.1 kB]
Get:249 http://172.17.4.1/private bookworm-staging/main armhf ocl-icd-libopencl1 armhf 2.2.14-3 [39.9 kB]
Get:250 http://172.17.4.1/private bookworm-staging/main armhf libhwloc-plugins armhf 2.7.0-2 [20.3 kB]
Get:251 http://172.17.4.1/private bookworm-staging/main armhf libpmix2 armhf 4.1.1~rc6-1 [481 kB]
Get:252 http://172.17.4.1/private bookworm-staging/main armhf libopenmpi3 armhf 4.1.2~rc1-5+rpi1+b1 [1776 kB]
Get:253 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi1.74.0 armhf 1.74.0-14 [274 kB]
Get:254 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph-parallel1.74.0 armhf 1.74.0-14 [283 kB]
Get:255 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph-parallel1.74-dev armhf 1.74.0-14 [292 kB]
Get:256 http://172.17.4.1/private bookworm-staging/main armhf libboost-graph-parallel-dev armhf 1.74.0.3+b4 [4732 B]
Get:257 http://172.17.4.1/private bookworm-staging/main armhf libboost-iostreams1.74.0 armhf 1.74.0-14 [260 kB]
Get:258 http://172.17.4.1/private bookworm-staging/main armhf libboost-iostreams1.74-dev armhf 1.74.0-14 [269 kB]
Get:259 http://172.17.4.1/private bookworm-staging/main armhf libboost-iostreams-dev armhf 1.74.0.3+b4 [4592 B]
Get:260 http://172.17.4.1/private bookworm-staging/main armhf libboost-locale1.74.0 armhf 1.74.0-14 [434 kB]
Get:261 http://172.17.4.1/private bookworm-staging/main armhf libboost-locale1.74-dev armhf 1.74.0-14 [554 kB]
Get:262 http://172.17.4.1/private bookworm-staging/main armhf libboost-locale-dev armhf 1.74.0.3+b4 [4932 B]
Get:263 http://172.17.4.1/private bookworm-staging/main armhf libboost-log1.74.0 armhf 1.74.0-14 [540 kB]
Get:264 http://172.17.4.1/private bookworm-staging/main armhf libboost-log1.74-dev armhf 1.74.0-14 [735 kB]
Get:265 http://172.17.4.1/private bookworm-staging/main armhf libboost-log-dev armhf 1.74.0.3+b4 [4812 B]
Get:266 http://172.17.4.1/private bookworm-staging/main armhf libboost-math1.74.0 armhf 1.74.0-14 [343 kB]
Get:267 http://172.17.4.1/private bookworm-staging/main armhf libboost-math1.74-dev armhf 1.74.0-14 [400 kB]
Get:268 http://172.17.4.1/private bookworm-staging/main armhf libboost-math-dev armhf 1.74.0.3+b4 [4808 B]
Get:269 http://172.17.4.1/private bookworm-staging/main armhf openmpi-common all 4.1.2~rc1-5+rpi1 [180 kB]
Get:270 http://172.17.4.1/private bookworm-staging/main armhf libnl-3-dev armhf 3.4.0-1 [92.4 kB]
Get:271 http://172.17.4.1/private bookworm-staging/main armhf libnl-route-3-dev armhf 3.4.0-1 [145 kB]
Get:272 http://172.17.4.1/private bookworm-staging/main armhf libibverbs-dev armhf 39.0-1 [188 kB]
Get:273 http://172.17.4.1/private bookworm-staging/main armhf libnuma1 armhf 2.0.14-3 [21.8 kB]
Get:274 http://172.17.4.1/private bookworm-staging/main armhf libnuma-dev armhf 2.0.14-3 [34.7 kB]
Get:275 http://172.17.4.1/private bookworm-staging/main armhf libltdl-dev armhf 2.4.6-15 [159 kB]
Get:276 http://172.17.4.1/private bookworm-staging/main armhf libhwloc-dev armhf 2.7.0-2 [199 kB]
Get:277 http://172.17.4.1/private bookworm-staging/main armhf libevent-2.1-7 armhf 2.1.12-stable-1 [167 kB]
Get:278 http://172.17.4.1/private bookworm-staging/main armhf libevent-extra-2.1-7 armhf 2.1.12-stable-1 [100 kB]
Get:279 http://172.17.4.1/private bookworm-staging/main armhf libevent-openssl-2.1-7 armhf 2.1.12-stable-1 [61.7 kB]
Get:280 http://172.17.4.1/private bookworm-staging/main armhf libevent-dev armhf 2.1.12-stable-1 [281 kB]
Get:281 http://172.17.4.1/private bookworm-staging/main armhf zlib1g-dev armhf 1:1.2.11.dfsg-2 [184 kB]
Get:282 http://172.17.4.1/private bookworm-staging/main armhf libpmix-dev armhf 4.1.1~rc6-1 [645 kB]
Get:283 http://172.17.4.1/private bookworm-staging/main armhf libjs-jquery all 3.5.1+dfsg+~3.5.5-8 [315 kB]
Get:284 http://172.17.4.1/private bookworm-staging/main armhf libjs-jquery-ui all 1.13.0+dfsg-1 [250 kB]
Get:285 http://172.17.4.1/private bookworm-staging/main armhf openmpi-bin armhf 4.1.2~rc1-5+rpi1+b1 [209 kB]
Get:286 http://172.17.4.1/private bookworm-staging/main armhf libopenmpi-dev armhf 4.1.2~rc1-5+rpi1+b1 [937 kB]
Get:287 http://172.17.4.1/private bookworm-staging/main armhf mpi-default-dev armhf 1.14 [5548 B]
Get:288 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi1.74-dev armhf 1.74.0-14 [299 kB]
Get:289 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi-dev armhf 1.74.0.3+b4 [4692 B]
Get:290 http://172.17.4.1/private bookworm-staging/main armhf libboost-python1.74.0 armhf 1.74.0-14 [300 kB]
Get:291 http://172.17.4.1/private bookworm-staging/main armhf mpi-default-bin armhf 1.14 [4752 B]
Get:292 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi-python1.74.0 armhf 1.74.0-14 [343 kB]
Get:293 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi-python1.74-dev armhf 1.74.0-14 [248 kB]
Get:294 http://172.17.4.1/private bookworm-staging/main armhf libboost-mpi-python-dev armhf 1.74.0.3+b4 [4720 B]
Get:295 http://172.17.4.1/private bookworm-staging/main armhf libboost-numpy1.74.0 armhf 1.74.0-14 [251 kB]
Get:296 http://172.17.4.1/private bookworm-staging/main armhf libboost-numpy1.74-dev armhf 1.74.0-14 [255 kB]
Get:297 http://172.17.4.1/private bookworm-staging/main armhf libboost-numpy-dev armhf 1.74.0.3+b4 [4648 B]
Get:298 http://172.17.4.1/private bookworm-staging/main armhf libboost-program-options1.74.0 armhf 1.74.0-14 [334 kB]
Get:299 http://172.17.4.1/private bookworm-staging/main armhf libboost-program-options1.74-dev armhf 1.74.0-14 [373 kB]
Get:300 http://172.17.4.1/private bookworm-staging/main armhf libboost-program-options-dev armhf 1.74.0.3+b4 [4616 B]
Get:301 http://172.17.4.1/private bookworm-staging/main armhf libpython3.9 armhf 3.9.10-1+rpi1 [1419 kB]
Get:302 http://172.17.4.1/private bookworm-staging/main armhf libexpat1-dev armhf 2.4.4-1 [135 kB]
Get:303 http://172.17.4.1/private bookworm-staging/main armhf libpython3.9-dev armhf 3.9.10-1+rpi1 [3015 kB]
Get:304 http://172.17.4.1/private bookworm-staging/main armhf libpython3-dev armhf 3.9.7-1+b4 [22.1 kB]
Get:305 http://172.17.4.1/private bookworm-staging/main armhf python3.9-dev armhf 3.9.10-1+rpi1 [501 kB]
Get:306 http://172.17.4.1/private bookworm-staging/main armhf libjs-underscore all 1.13.2~dfsg-2 [116 kB]
Get:307 http://172.17.4.1/private bookworm-staging/main armhf libjs-sphinxdoc all 4.3.2-1 [139 kB]
Get:308 http://172.17.4.1/private bookworm-staging/main armhf python3-dev armhf 3.9.7-1+b4 [25.3 kB]
Get:309 http://172.17.4.1/private bookworm-staging/main armhf libboost-python1.74-dev armhf 1.74.0-14 [322 kB]
Get:310 http://172.17.4.1/private bookworm-staging/main armhf libboost-python-dev armhf 1.74.0.3+b4 [4904 B]
Get:311 http://172.17.4.1/private bookworm-staging/main armhf libboost-random1.74.0 armhf 1.74.0-14 [247 kB]
Get:312 http://172.17.4.1/private bookworm-staging/main armhf libboost-random1.74-dev armhf 1.74.0-14 [250 kB]
Get:313 http://172.17.4.1/private bookworm-staging/main armhf libboost-random-dev armhf 1.74.0.3+b4 [4604 B]
Get:314 http://172.17.4.1/private bookworm-staging/main armhf libboost-regex-dev armhf 1.74.0.3+b4 [4876 B]
Get:315 http://172.17.4.1/private bookworm-staging/main armhf libboost-serialization-dev armhf 1.74.0.3+b4 [4832 B]
Get:316 http://172.17.4.1/private bookworm-staging/main armhf libboost-stacktrace1.74.0 armhf 1.74.0-14 [277 kB]
Get:317 http://172.17.4.1/private bookworm-staging/main armhf libboost-stacktrace1.74-dev armhf 1.74.0-14 [254 kB]
Get:318 http://172.17.4.1/private bookworm-staging/main armhf libboost-stacktrace-dev armhf 1.74.0.3+b4 [4596 B]
Get:319 http://172.17.4.1/private bookworm-staging/main armhf libboost-system-dev armhf 1.74.0.3+b4 [4744 B]
Get:320 http://172.17.4.1/private bookworm-staging/main armhf libboost-test-dev armhf 1.74.0.3+b4 [4640 B]
Get:321 http://172.17.4.1/private bookworm-staging/main armhf libboost-thread-dev armhf 1.74.0.3+b4 [4632 B]
Get:322 http://172.17.4.1/private bookworm-staging/main armhf libboost-timer1.74.0 armhf 1.74.0-14 [246 kB]
Get:323 http://172.17.4.1/private bookworm-staging/main armhf libboost-timer1.74-dev armhf 1.74.0-14 [248 kB]
Get:324 http://172.17.4.1/private bookworm-staging/main armhf libboost-timer-dev armhf 1.74.0.3+b4 [4732 B]
Get:325 http://172.17.4.1/private bookworm-staging/main armhf libboost-type-erasure1.74.0 armhf 1.74.0-14 [252 kB]
Get:326 http://172.17.4.1/private bookworm-staging/main armhf libboost-type-erasure1.74-dev armhf 1.74.0-14 [256 kB]
Get:327 http://172.17.4.1/private bookworm-staging/main armhf libboost-type-erasure-dev armhf 1.74.0.3+b4 [4696 B]
Get:328 http://172.17.4.1/private bookworm-staging/main armhf libboost-wave1.74.0 armhf 1.74.0-14 [401 kB]
Get:329 http://172.17.4.1/private bookworm-staging/main armhf libboost-wave1.74-dev armhf 1.74.0-14 [476 kB]
Get:330 http://172.17.4.1/private bookworm-staging/main armhf libboost-wave-dev armhf 1.74.0.3+b4 [4632 B]
Get:331 http://172.17.4.1/private bookworm-staging/main armhf libboost-nowide1.74.0 armhf 1.74.0-14 [243 kB]
Get:332 http://172.17.4.1/private bookworm-staging/main armhf libboost-nowide1.74-dev armhf 1.74.0-14 [245 kB]
Get:333 http://172.17.4.1/private bookworm-staging/main armhf libboost-nowide-dev armhf 1.74.0.3+b4 [4664 B]
Get:334 http://172.17.4.1/private bookworm-staging/main armhf libboost-all-dev armhf 1.74.0.3+b4 [4944 B]
Get:335 http://172.17.4.1/private bookworm-staging/main armhf libboost-iostreams1.71.0 armhf 1.71.0-7+b1 [256 kB]
Get:336 http://172.17.4.1/private bookworm-staging/main armhf libbrotli-dev armhf 1.0.9-2+b1 [272 kB]
Get:337 http://172.17.4.1/private bookworm-staging/main armhf libcairo-gobject2 armhf 1.16.0-5 [124 kB]
Get:338 http://172.17.4.1/private bookworm-staging/main armhf liblzo2-2 armhf 2.10-2 [50.2 kB]
Get:339 http://172.17.4.1/private bookworm-staging/main armhf libcairo-script-interpreter2 armhf 1.16.0-5 [153 kB]
Get:340 http://172.17.4.1/private bookworm-staging/main armhf libpng-dev armhf 1.6.37-3 [277 kB]
Get:341 http://172.17.4.1/private bookworm-staging/main armhf libfreetype-dev armhf 2.11.1+dfsg-1 [493 kB]
Get:342 http://172.17.4.1/private bookworm-staging/main armhf libfreetype6-dev armhf 2.11.1+dfsg-1 [54.8 kB]
Get:343 http://172.17.4.1/private bookworm-staging/main armhf pkg-config armhf 0.29.2-1 [61.5 kB]
Get:344 http://172.17.4.1/private bookworm-staging/main armhf libfontconfig-dev armhf 2.13.1-4.4 [349 kB]
Get:345 http://172.17.4.1/private bookworm-staging/main armhf libfontconfig1-dev armhf 2.13.1-4.4 [238 kB]
Get:346 http://172.17.4.1/private bookworm-staging/main armhf xorg-sgml-doctools all 1:1.11-1.1 [22.1 kB]
Get:347 http://172.17.4.1/private bookworm-staging/main armhf x11proto-dev all 2021.5-1 [599 kB]
Get:348 http://172.17.4.1/private bookworm-staging/main armhf libxau-dev armhf 1:1.0.9-1 [22.3 kB]
Get:349 http://172.17.4.1/private bookworm-staging/main armhf libxdmcp-dev armhf 1:1.1.2-3 [40.9 kB]
Get:350 http://172.17.4.1/private bookworm-staging/main armhf xtrans-dev all 1.4.0-1 [98.7 kB]
Get:351 http://172.17.4.1/private bookworm-staging/main armhf libpthread-stubs0-dev armhf 0.4-1 [5344 B]
Get:352 http://172.17.4.1/private bookworm-staging/main armhf libxcb1-dev armhf 1.14-3 [171 kB]
Get:353 http://172.17.4.1/private bookworm-staging/main armhf libx11-dev armhf 2:1.7.2-2 [780 kB]
Get:354 http://172.17.4.1/private bookworm-staging/main armhf libxrender-dev armhf 1:0.9.10-1 [37.7 kB]
Get:355 http://172.17.4.1/private bookworm-staging/main armhf libxext-dev armhf 2:1.3.4-1 [102 kB]
Get:356 http://172.17.4.1/private bookworm-staging/main armhf libice-dev armhf 2:1.0.10-1 [58.7 kB]
Get:357 http://172.17.4.1/private bookworm-staging/main armhf libsm-dev armhf 2:1.2.3-1 [35.4 kB]
Get:358 http://172.17.4.1/private bookworm-staging/main armhf libpixman-1-dev armhf 0.40.0-1 [482 kB]
Get:359 http://172.17.4.1/private bookworm-staging/main armhf libxcb-render0-dev armhf 1.14-3 [113 kB]
Get:360 http://172.17.4.1/private bookworm-staging/main armhf libxcb-shm0-dev armhf 1.14-3 [102 kB]
Get:361 http://172.17.4.1/private bookworm-staging/main armhf libffi-dev armhf 3.4.2-4 [61.7 kB]
Get:362 http://172.17.4.1/private bookworm-staging/main armhf libglib2.0-data all 2.70.3-1 [1205 kB]
Get:363 http://172.17.4.1/private bookworm-staging/main armhf libglib2.0-bin armhf 2.70.3-1 [139 kB]
Get:364 http://172.17.4.1/private bookworm-staging/main armhf libglib2.0-dev-bin armhf 2.70.3-1 [181 kB]
Get:365 http://172.17.4.1/private bookworm-staging/main armhf libsepol2 armhf 3.3-1 [235 kB]
Get:366 http://172.17.4.1/private bookworm-staging/main armhf libsepol-dev armhf 3.3-1 [316 kB]
Get:367 http://172.17.4.1/private bookworm-staging/main armhf libpcre2-16-0 armhf 10.39-3 [200 kB]
Get:368 http://172.17.4.1/private bookworm-staging/main armhf libpcre2-32-0 armhf 10.39-3 [190 kB]
Get:369 http://172.17.4.1/private bookworm-staging/main armhf libpcre2-posix3 armhf 10.39-3 [51.8 kB]
Get:370 http://172.17.4.1/private bookworm-staging/main armhf libpcre2-dev armhf 10.39-3 [629 kB]
Get:371 http://172.17.4.1/private bookworm-staging/main armhf libselinux1-dev armhf 3.3-1 [157 kB]
Get:372 http://172.17.4.1/private bookworm-staging/main armhf libmount-dev armhf 2.37.3-1 [79.4 kB]
Get:373 http://172.17.4.1/private bookworm-staging/main armhf libpcre16-3 armhf 2:8.39-13 [235 kB]
Get:374 http://172.17.4.1/private bookworm-staging/main armhf libpcre32-3 armhf 2:8.39-13 [228 kB]
Get:375 http://172.17.4.1/private bookworm-staging/main armhf libpcrecpp0v5 armhf 2:8.39-13 [150 kB]
Get:376 http://172.17.4.1/private bookworm-staging/main armhf libpcre3-dev armhf 2:8.39-13 [566 kB]
Get:377 http://172.17.4.1/private bookworm-staging/main armhf libglib2.0-dev armhf 2.70.3-1 [1476 kB]
Get:378 http://172.17.4.1/private bookworm-staging/main armhf libcairo2-dev armhf 1.16.0-5 [614 kB]
Get:379 http://172.17.4.1/private bookworm-staging/main armhf libcolord2 armhf 1.4.5-3 [123 kB]
Get:380 http://172.17.4.1/private bookworm-staging/main armhf libcommons-parent-java all 43-1 [10.8 kB]
Get:381 http://172.17.4.1/private bookworm-staging/main armhf libcommons-logging-java all 1.2-2 [62.2 kB]
Get:382 http://172.17.4.1/private bookworm-staging/main armhf libcoordgen3 armhf 3.0.0-2 [166 kB]
Get:383 http://172.17.4.1/private bookworm-staging/main armhf libcoordgen-dev armhf 3.0.0-2 [46.4 kB]
Get:384 http://172.17.4.1/private bookworm-staging/main armhf libdrm-common all 2.4.109-2+rpi1 [15.5 kB]
Get:385 http://172.17.4.1/private bookworm-staging/main armhf libdrm2 armhf 2.4.109-2+rpi1 [40.7 kB]
Get:386 http://172.17.4.1/private bookworm-staging/main armhf libdrm-amdgpu1 armhf 2.4.109-2+rpi1 [28.0 kB]
Get:387 http://172.17.4.1/private bookworm-staging/main armhf libdrm-nouveau2 armhf 2.4.109-2+rpi1 [25.6 kB]
Get:388 http://172.17.4.1/private bookworm-staging/main armhf libdrm-radeon1 armhf 2.4.109-2+rpi1 [29.6 kB]
Get:389 http://172.17.4.1/private bookworm-staging/main armhf libglvnd0 armhf 1.4.0-1 [55.1 kB]
Get:390 http://172.17.4.1/private bookworm-staging/main armhf libwayland-server0 armhf 1.20.0-1 [28.8 kB]
Get:391 http://172.17.4.1/private bookworm-staging/main armhf libgbm1 armhf 21.2.6-1+rpi1 [73.6 kB]
Get:392 http://172.17.4.1/private bookworm-staging/main armhf libglapi-mesa armhf 21.2.6-1+rpi1 [83.6 kB]
Get:393 http://172.17.4.1/private bookworm-staging/main armhf libwayland-client0 armhf 1.20.0-1 [23.1 kB]
Get:394 http://172.17.4.1/private bookworm-staging/main armhf libx11-xcb1 armhf 2:1.7.2-2 [203 kB]
Get:395 http://172.17.4.1/private bookworm-staging/main armhf libxcb-dri2-0 armhf 1.14-3 [103 kB]
Get:396 http://172.17.4.1/private bookworm-staging/main armhf libxcb-dri3-0 armhf 1.14-3 [102 kB]
Get:397 http://172.17.4.1/private bookworm-staging/main armhf libxcb-present0 armhf 1.14-3 [101 kB]
Get:398 http://172.17.4.1/private bookworm-staging/main armhf libxcb-sync1 armhf 1.14-3 [104 kB]
Get:399 http://172.17.4.1/private bookworm-staging/main armhf libxcb-xfixes0 armhf 1.14-3 [105 kB]
Get:400 http://172.17.4.1/private bookworm-staging/main armhf libxshmfence1 armhf 1.3-1 [8636 B]
Get:401 http://172.17.4.1/private bookworm-staging/main armhf libegl-mesa0 armhf 21.2.6-1+rpi1 [125 kB]
Get:402 http://172.17.4.1/private bookworm-staging/main armhf libegl1 armhf 1.4.0-1 [29.8 kB]
Get:403 http://172.17.4.1/private bookworm-staging/main armhf libxcb-glx0 armhf 1.14-3 [117 kB]
Get:404 http://172.17.4.1/private bookworm-staging/main armhf libxfixes3 armhf 1:6.0.0-1 [21.0 kB]
Get:405 http://172.17.4.1/private bookworm-staging/main armhf libxxf86vm1 armhf 1:1.1.4-1+b2 [20.1 kB]
Get:406 http://172.17.4.1/private bookworm-staging/main armhf libllvm12 armhf 1:12.0.1-19+rpi1 [17.2 MB]
Get:407 http://172.17.4.1/private bookworm-staging/main armhf libsensors-config all 1:3.6.0-7 [32.3 kB]
Get:408 http://172.17.4.1/private bookworm-staging/main armhf libsensors5 armhf 1:3.6.0-7 [49.6 kB]
Get:409 http://172.17.4.1/private bookworm-staging/main armhf libvulkan1 armhf 1.2.198.1-2 [83.5 kB]
Get:410 http://172.17.4.1/private bookworm-staging/main armhf libgl1-mesa-dri armhf 21.2.6-1+rpi1 [6394 kB]
Get:411 http://172.17.4.1/private bookworm-staging/main armhf libglx-mesa0 armhf 21.2.6-1+rpi1 [169 kB]
Get:412 http://172.17.4.1/private bookworm-staging/main armhf libglx0 armhf 1.4.0-1 [26.3 kB]
Get:413 http://172.17.4.1/private bookworm-staging/main armhf libgl1 armhf 1.4.0-1 [105 kB]
Get:414 http://172.17.4.1/private bookworm-staging/main armhf libglx-dev armhf 1.4.0-1 [16.6 kB]
Get:415 http://172.17.4.1/private bookworm-staging/main armhf libgl-dev armhf 1.4.0-1 [101 kB]
Get:416 http://172.17.4.1/private bookworm-staging/main armhf libegl-dev armhf 1.4.0-1 [20.2 kB]
Get:417 http://172.17.4.1/private bookworm-staging/main armhf libeigen3-dev all 3.4.0-2 [1040 kB]
Get:418 http://172.17.4.1/private bookworm-staging/main armhf libepoxy0 armhf 1.5.9-2 [174 kB]
Get:419 http://172.17.4.1/private bookworm-staging/main armhf libfontbox-java all 1:1.8.16-2 [211 kB]
Get:420 http://172.17.4.1/private bookworm-staging/main armhf libglvnd-core-dev armhf 1.4.0-1 [14.2 kB]
Get:421 http://172.17.4.1/private bookworm-staging/main armhf libgles1 armhf 1.4.0-1 [13.5 kB]
Get:422 http://172.17.4.1/private bookworm-staging/main armhf libgles2 armhf 1.4.0-1 [20.3 kB]
Get:423 http://172.17.4.1/private bookworm-staging/main armhf libgles-dev armhf 1.4.0-1 [50.7 kB]
Get:424 http://172.17.4.1/private bookworm-staging/main armhf libopengl0 armhf 1.4.0-1 [39.1 kB]
Get:425 http://172.17.4.1/private bookworm-staging/main armhf libopengl-dev armhf 1.4.0-1 [6216 B]
Get:426 http://172.17.4.1/private bookworm-staging/main armhf libglvnd-dev armhf 1.4.0-1 [5976 B]
Get:427 http://172.17.4.1/private bookworm-staging/main armhf libgl1-mesa-dev armhf 21.2.6-1+rpi1 [54.2 kB]
Get:428 http://172.17.4.1/private bookworm-staging/main armhf libglu1-mesa armhf 9.0.1-1 [127 kB]
Get:429 http://172.17.4.1/private bookworm-staging/main armhf libglu1-mesa-dev armhf 9.0.1-1 [166 kB]
Get:430 http://172.17.4.1/private bookworm-staging/main armhf libwayland-cursor0 armhf 1.20.0-1 [13.7 kB]
Get:431 http://172.17.4.1/private bookworm-staging/main armhf libwayland-egl1 armhf 1.20.0-1 [8404 B]
Get:432 http://172.17.4.1/private bookworm-staging/main armhf libxcomposite1 armhf 1:0.4.5-1 [16.2 kB]
Get:433 http://172.17.4.1/private bookworm-staging/main armhf libxcursor1 armhf 1:1.2.0-2 [34.2 kB]
Get:434 http://172.17.4.1/private bookworm-staging/main armhf libxdamage1 armhf 1:1.1.5-2 [15.2 kB]
Get:435 http://172.17.4.1/private bookworm-staging/main armhf libxinerama1 armhf 2:1.1.4-3 [17.4 kB]
Get:436 http://172.17.4.1/private bookworm-staging/main armhf xkb-data all 2.33-1 [748 kB]
Get:437 http://172.17.4.1/private bookworm-staging/main armhf libxkbcommon0 armhf 1.3.1-1 [95.7 kB]
Get:438 http://172.17.4.1/private bookworm-staging/main armhf libxrandr2 armhf 2:1.5.2-1 [34.9 kB]
Get:439 http://172.17.4.1/private bookworm-staging/main armhf libgtk-3-common all 3.24.31-1 [3788 kB]
Get:440 http://172.17.4.1/private bookworm-staging/main armhf libgtk-3-0 armhf 3.24.31-1 [2424 kB]
Get:441 http://172.17.4.1/private bookworm-staging/main armhf libinchi1 armhf 1.03+dfsg-4 [343 kB]
Get:442 http://172.17.4.1/private bookworm-staging/main armhf libinchi-dev armhf 1.03+dfsg-4 [15.2 kB]
Get:443 http://172.17.4.1/private bookworm-staging/main armhf libkpathsea6 armhf 2021.20210626.59705-1 [164 kB]
Get:444 http://172.17.4.1/private bookworm-staging/main armhf libmaeparser1 armhf 1.2.4-1 [76.1 kB]
Get:445 http://172.17.4.1/private bookworm-staging/main armhf libmaeparser-dev armhf 1.2.4-1 [13.1 kB]
Get:446 http://172.17.4.1/private bookworm-staging/main armhf libnotify4 armhf 0.7.9-3 [21.9 kB]
Get:447 http://172.17.4.1/private bookworm-staging/main armhf libpaper-utils armhf 1.1.28 [17.7 kB]
Get:448 http://172.17.4.1/private bookworm-staging/main armhf libpdfbox-java all 1:1.8.16-2 [5205 kB]
Get:449 http://172.17.4.1/private bookworm-staging/main armhf libperl-dev armhf 5.34.0-3 [918 kB]
Get:450 http://172.17.4.1/private bookworm-staging/main armhf libptexenc1 armhf 2021.20210626.59705-1 [61.5 kB]
Get:451 http://172.17.4.1/private bookworm-staging/main armhf libsynctex2 armhf 2021.20210626.59705-1 [67.4 kB]
Get:452 http://172.17.4.1/private bookworm-staging/main armhf libteckit0 armhf 2.5.11+ds1-1 [256 kB]
Get:453 http://172.17.4.1/private bookworm-staging/main armhf libtexlua53 armhf 2021.20210626.59705-1 [102 kB]
Get:454 http://172.17.4.1/private bookworm-staging/main armhf libtexluajit2 armhf 2021.20210626.59705-1 [208 kB]
Get:455 http://172.17.4.1/private bookworm-staging/main armhf libwxbase3.0-0v5 armhf 3.0.5.1+dfsg-3 [880 kB]
Get:456 http://172.17.4.1/private bookworm-staging/main armhf wx3.0-headers all 3.0.5.1+dfsg-3 [1129 kB]
Get:457 http://172.17.4.1/private bookworm-staging/main armhf libwxbase3.0-dev armhf 3.0.5.1+dfsg-3 [140 kB]
Get:458 http://172.17.4.1/private bookworm-staging/main armhf libwxgtk3.0-gtk3-0v5 armhf 3.0.5.1+dfsg-3 [3563 kB]
Get:459 http://172.17.4.1/private bookworm-staging/main armhf wx-common armhf 3.0.5.1+dfsg-3 [173 kB]
Get:460 http://172.17.4.1/private bookworm-staging/main armhf libwxgtk3.0-gtk3-dev armhf 3.0.5.1+dfsg-3 [140 kB]
Get:461 http://172.17.4.1/private bookworm-staging/main armhf libxml2-dev armhf 2.9.12+dfsg-5 [648 kB]
Get:462 http://172.17.4.1/private bookworm-staging/main armhf libzzip-0-13 armhf 0.13.72+dfsg.1-1.1 [54.3 kB]
Get:463 http://172.17.4.1/private bookworm-staging/main armhf preview-latex-style all 12.2-1 [201 kB]
Get:464 http://172.17.4.1/private bookworm-staging/main armhf python3-all armhf 3.9.7-1+b4 [1060 B]
Get:465 http://172.17.4.1/private bookworm-staging/main armhf python3-pkg-resources all 59.6.0-1.2 [196 kB]
Get:466 http://172.17.4.1/private bookworm-staging/main armhf python3-setuptools all 59.6.0-1.2 [401 kB]
Get:467 http://172.17.4.1/private bookworm-staging/main armhf rapidjson-dev all 1.1.0+dfsg2-7 [98.9 kB]
Get:468 http://172.17.4.1/private bookworm-staging/main armhf swig4.0 armhf 4.0.2-2 [1221 kB]
Get:469 http://172.17.4.1/private bookworm-staging/main armhf swig all 4.0.2-2 [330 kB]
Get:470 http://172.17.4.1/private bookworm-staging/main armhf t1utils armhf 1.41-4 [52.3 kB]
Get:471 http://172.17.4.1/private bookworm-staging/main armhf texlive-binaries armhf 2021.20210626.59705-1 [6847 kB]
Get:472 http://172.17.4.1/private bookworm-staging/main armhf xdg-utils all 1.1.3-4.1 [75.5 kB]
Get:473 http://172.17.4.1/private bookworm-staging/main armhf texlive-base all 2021.20220204-1 [21.2 MB]
Get:474 http://172.17.4.1/private bookworm-staging/main armhf texlive-latex-base all 2021.20220204-1 [1160 kB]
Get:475 http://172.17.4.1/private bookworm-staging/main armhf texlive-latex-recommended all 2021.20220204-1 [14.4 MB]
Get:476 http://172.17.4.1/private bookworm-staging/main armhf texlive-pictures all 2021.20220204-1 [8734 kB]
Get:477 http://172.17.4.1/private bookworm-staging/main armhf texlive-latex-extra all 2021.20220204-1 [14.3 MB]
debconf: delaying package configuration, since apt-utils is not installed
Fetched 336 MB in 32s (10.5 MB/s)
Selecting previously unselected package libapparmor1:armhf.
(Reading database ... 14383 files and directories currently installed.)
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Created symlink /etc/systemd/system/getty.target.wants/getty@tty1.service -> /lib/systemd/system/getty@.service.
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Setting up libnl-route-3-200:armhf (3.4.0-1) ...
Setting up libxcb-present0:armhf (1.14-3) ...
Setting up libthai0:armhf (0.1.29-1) ...
Setting up libxdmcp-dev:armhf (1:1.1.2-3) ...
Setting up libxml2-dev:armhf (2.9.12+dfsg-5) ...
Setting up libpython3.9:armhf (3.9.10-1+rpi1) ...
Setting up libllvm11:armhf (1:11.1.0-6+rpi1+b1) ...
Setting up libjs-jquery-ui (1.13.0+dfsg-1) ...
Setting up libptexenc1:armhf (2021.20210626.59705-1) ...
Setting up libfreetype6:armhf (2.11.1+dfsg-1) ...
Setting up libxcb-sync1:armhf (1.14-3) ...
Setting up libllvm12:armhf (1:12.0.1-19+rpi1) ...
Setting up dbus (1.12.20-3) ...
Running in chroot, ignoring request.
invoke-rc.d: policy-rc.d denied execution of start.
Setting up shared-mime-info (2.1-2) ...
Setting up libevent-dev (2.1.12-stable-1) ...
Setting up libeigen3-dev (3.4.0-2) ...
Setting up libclang1-11 (1:11.1.0-6+rpi1+b1) ...
Setting up libboost-numpy1.74-dev (1.74.0-14) ...
Setting up ucf (3.0043) ...
Setting up libjs-sphinxdoc (4.3.2-1) ...
Setting up autoconf (2.71-2) ...
Setting up libstdc++-11-dev:armhf (11.2.0-16+rpi1) ...
Setting up libxcb-dri2-0:armhf (1.14-3) ...
Setting up dh-strip-nondeterminism (1.13.0-1) ...
Setting up libboost-wave1.74.0:armhf (1.74.0-14) ...
Setting up libgvpr2:armhf (2.42.2-6+b1) ...
Setting up libdrm2:armhf (2.4.109-2+rpi1) ...
Setting up dwz (0.14-1) ...
Setting up libnl-3-dev:armhf (3.4.0-1) ...
Setting up gcc-11 (11.2.0-16+rpi1) ...
Setting up groff-base (1.22.4-8) ...
Setting up libwayland-cursor0:armhf (1.20.0-1) ...
Setting up procps (2:3.3.17-6) ...
Setting up libpam-systemd:armhf (250.3-2+rpi1) ...
Setting up libcurl4:armhf (7.81.0-1) ...
Setting up libx11-6:armhf (2:1.7.2-2) ...
Setting up libharfbuzz0b:armhf (2.7.4-1) ...
Setting up libgdk-pixbuf-2.0-0:armhf (2.42.6+dfsg-2) ...
Setting up libcoordgen-dev:armhf (3.0.0-2) ...
Setting up libboost-locale1.74.0:armhf (1.74.0-14) ...
Setting up libxcomposite1:armhf (1:0.4.5-1) ...
Setting up libsm6:armhf (2:1.2.3-1) ...
Setting up libavahi-client3:armhf (0.8-5) ...
Setting up libmount-dev:armhf (2.37.3-1) ...
Setting up python3.9 (3.9.10-1+rpi1) ...
Setting up libboost-type-erasure1.74.0:armhf (1.74.0-14) ...
Setting up libdrm-amdgpu1:armhf (2.4.109-2+rpi1) ...
Setting up automake (1:1.16.5-1.1) ...
update-alternatives: using /usr/bin/automake-1.16 to provide /usr/bin/automake (automake) in auto mode
Setting up libxcb-dri3-0:armhf (1.14-3) ...
Setting up libpaper1:armhf (1.1.28) ...

Creating config file /etc/papersize with new version
Setting up gtk-update-icon-cache (3.24.31-1) ...
Setting up libx11-xcb1:armhf (2:1.7.2-2) ...
Setting up libibverbs1:armhf (39.0-1) ...
configuration error - unknown item 'NONEXISTENT' (notify administrator)
configuration error - unknown item 'PREVENT_NO_AUTH' (notify administrator)
Setting up libdrm-nouveau2:armhf (2.4.109-2+rpi1) ...
Setting up libboost1.74-dev:armhf (1.74.0-14) ...
Setting up libxdamage1:armhf (1:1.1.5-2) ...
Setting up libxcb1-dev:armhf (1.14-3) ...
Setting up libxpm4:armhf (1:3.5.12-1) ...
Setting up libxrender1:armhf (1:0.9.10-1) ...
Setting up libgbm1:armhf (21.2.6-1+rpi1) ...
Setting up ibverbs-providers:armhf (39.0-1) ...
Setting up libboost-container1.74-dev:armhf (1.74.0-14) ...
Setting up libsm-dev:armhf (2:1.2.3-1) ...
Setting up libdrm-radeon1:armhf (2.4.109-2+rpi1) ...
Setting up fontconfig-config (2.13.1-4.4) ...
Setting up openssh-client (1:8.7p1-4) ...
configuration error - unknown item 'NONEXISTENT' (notify administrator)
configuration error - unknown item 'PREVENT_NO_AUTH' (notify administrator)
update-alternatives: using /usr/bin/ssh to provide /usr/bin/rsh (rsh) in auto mode
update-alternatives: using /usr/bin/slogin to provide /usr/bin/rlogin (rlogin) in auto mode
update-alternatives: using /usr/bin/scp to provide /usr/bin/rcp (rcp) in auto mode
Setting up po-debconf (1.0.21+nmu1) ...
Setting up libboost-chrono1.74-dev:armhf (1.74.0-14) ...
Setting up libgl1-mesa-dri:armhf (21.2.6-1+rpi1) ...
Setting up libx11-dev:armhf (2:1.7.2-2) ...
Setting up libxext6:armhf (2:1.3.4-1) ...
Setting up libpython3.9-dev:armhf (3.9.10-1+rpi1) ...
Setting up python3 (3.9.7-1+b4) ...
Setting up libboost-exception1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-exception-dev:armhf (1.74.0.3+b4) ...
Setting up libpaper-utils (1.1.28) ...
Setting up man-db (2.10.0-2) ...
Not building database; man-db/auto-update is not 'true'.
Created symlink /etc/systemd/system/timers.target.wants/man-db.timer -> /lib/systemd/system/man-db.timer.
Setting up libboost-container-dev:armhf (1.74.0.3+b4) ...
Setting up libxxf86vm1:armhf (1:1.1.4-1+b2) ...
Setting up libboost-program-options1.74-dev:armhf (1.74.0-14) ...
Setting up libfreetype-dev:armhf (2.11.1+dfsg-1) ...
Setting up libxnvctrl0:armhf (470.103.01-1) ...
Setting up libclang-cpp11 (1:11.1.0-6+rpi1+b1) ...
Setting up dh-autoreconf (20) ...
Setting up tex-common (6.17) ...
update-language: texlive-base not installed and configured, doing nothing!
Setting up libnl-route-3-dev:armhf (3.4.0-1) ...
Setting up libxcb-shm0-dev:armhf (1.14-3) ...
Setting up libltdl-dev:armhf (2.4.6-15) ...
Setting up dbus-user-session (1.12.20-3) ...
Setting up libegl-mesa0:armhf (21.2.6-1+rpi1) ...
Setting up doxygen (1.9.1-2) ...
Setting up libboost-program-options-dev:armhf (1.74.0.3+b4) ...
Setting up adwaita-icon-theme (41.0-1) ...
update-alternatives: using /usr/share/icons/Adwaita/cursor.theme to provide /usr/share/icons/default/index.theme (x-cursor-theme) in auto mode
Setting up libxfixes3:armhf (1:6.0.0-1) ...
Setting up libnotify4:armhf (0.7.9-3) ...
Setting up libboost-system1.74-dev:armhf (1.74.0-14) ...
Setting up libxinerama1:armhf (2:1.1.4-3) ...
Setting up libboost-numpy-dev (1.74.0.3+b4) ...
Setting up libboost-random1.74-dev:armhf (1.74.0-14) ...
Setting up libxrandr2:armhf (2:1.5.2-1) ...
Setting up libboost-timer1.74-dev:armhf (1.74.0-14) ...
Setting up libxcb-render0-dev:armhf (1.14-3) ...
Setting up libxt6:armhf (1:1.2.0-1) ...
Setting up gfortran-11 (11.2.0-16+rpi1) ...
Setting up libboost-serialization1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-atomic1.74-dev:armhf (1.74.0-14) ...
Setting up libxext-dev:armhf (2:1.3.4-1) ...
Setting up libcups2:armhf (2.3.3op2-7+b1) ...
Setting up libboost-atomic-dev:armhf (1.74.0.3+b4) ...
Setting up python3.9-dev (3.9.10-1+rpi1) ...
Setting up libboost-regex1.74-dev:armhf (1.74.0-14) ...
Setting up libegl1:armhf (1.4.0-1) ...
Setting up cmake (3.22.1-1+b1) ...
Setting up libhwloc-dev:armhf (2.7.0-2) ...
Setting up libboost-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-math1.74-dev:armhf (1.74.0-14) ...
Setting up libfontconfig1:armhf (2.13.1-4.4) ...
Setting up libboost-filesystem1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-stacktrace1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-test1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-regex-dev:armhf (1.74.0.3+b4) ...
Setting up python3-lib2to3 (3.9.10-1) ...
Setting up libxrender-dev:armhf (1:0.9.10-1) ...
Setting up libboost-timer-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-filesystem-dev:armhf (1.74.0.3+b4) ...
Setting up python3-pkg-resources (59.6.0-1.2) ...
Setting up python3-distutils (3.9.10-1) ...
Setting up dh-python (5.20220119) ...
Setting up libglib2.0-dev-bin (2.70.3-1) ...
Setting up librdmacm1:armhf (39.0-1) ...
Setting up fontconfig (2.13.1-4.4) ...
Regenerating fonts cache... done.
Setting up libxmu6:armhf (2:1.1.2-2+b3) ...
Setting up libglx-mesa0:armhf (21.2.6-1+rpi1) ...
Setting up libpython3-dev:armhf (3.9.7-1+b4) ...
Setting up libboost-wave1.74-dev:armhf (1.74.0-14) ...
Setting up python3-setuptools (59.6.0-1.2) ...
Setting up libgs9:armhf (9.55.0~dfsg-3) ...
Setting up libxi6:armhf (2:1.8-1) ...
Setting up libglx0:armhf (1.4.0-1) ...
Setting up libfontconfig-dev:armhf (2.13.1-4.4) ...
Setting up libboost-chrono-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-math-dev:armhf (1.74.0.3+b4) ...
Setting up preview-latex-style (12.2-1) ...
Setting up libxcursor1:armhf (1:1.2.0-2) ...
Setting up libboost-system-dev:armhf (1.74.0.3+b4) ...
Setting up libpango-1.0-0:armhf (1.50.3+ds1-6) ...
Setting up libboost-random-dev:armhf (1.74.0.3+b4) ...
Setting up python3-all (3.9.7-1+b4) ...
Setting up debhelper (13.6) ...
Setting up dconf-service (0.40.0-3) ...
Setting up libboost-wave-dev:armhf (1.74.0.3+b4) ...
Setting up libxaw7:armhf (2:1.0.13-1.1) ...
Setting up libatspi2.0-0:armhf (2.42.0-2) ...
Setting up libibverbs-dev:armhf (39.0-1) ...
Setting up ghostscript (9.55.0~dfsg-3) ...
Setting up libhwloc-plugins:armhf (2.7.0-2) ...
Setting up libcairo2:armhf (1.16.0-5) ...
Setting up libfreetype6-dev:armhf (2.11.1+dfsg-1) ...
Setting up libboost-test-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-iostreams1.74-dev:armhf (1.74.0-14) ...
Setting up libatk-bridge2.0-0:armhf (2.38.0-3) ...
Setting up libboost-date-time1.74-dev:armhf (1.74.0-14) ...
Setting up libgl1:armhf (1.4.0-1) ...
Setting up libglib2.0-dev:armhf (2.70.3-1) ...
Setting up libboost-graph1.74-dev:armhf (1.74.0-14) ...
Setting up python3-dev (3.9.7-1+b4) ...
Setting up libgd3:armhf (2.3.0-2) ...
Setting up libboost-serialization-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-date-time-dev:armhf (1.74.0.3+b4) ...
Setting up texlive-binaries (2021.20210626.59705-1) ...
update-alternatives: using /usr/bin/xdvi-xaw to provide /usr/bin/xdvi.bin (xdvi.bin) in auto mode
update-alternatives: using /usr/bin/bibtex.original to provide /usr/bin/bibtex (bibtex) in auto mode
Setting up libboost-stacktrace-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-thread1.74-dev:armhf (1.74.0-14) ...
Setting up libglx-dev:armhf (1.4.0-1) ...
Setting up libcairo-gobject2:armhf (1.16.0-5) ...
Setting up libglu1-mesa:armhf (9.0.1-1) ...
Setting up libpangoft2-1.0-0:armhf (1.50.3+ds1-6) ...
Setting up texlive-base (2021.20220204-1) ...
/usr/bin/ucfr
/usr/bin/ucfr
/usr/bin/ucfr
/usr/bin/ucfr
tl-paper: setting paper size for dvips to a4: /var/lib/texmf/dvips/config/config-paper.ps
tl-paper: setting paper size for dvipdfmx to a4: /var/lib/texmf/dvipdfmx/dvipdfmx-paper.cfg
tl-paper: setting paper size for xdvi to a4: /var/lib/texmf/xdvi/XDvi-paper
tl-paper: setting paper size for pdftex to a4: /var/lib/texmf/tex/generic/tex-ini-files/pdftexconfig.tex
Setting up libgl-dev:armhf (1.4.0-1) ...
Setting up libboost-thread-dev:armhf (1.74.0.3+b4) ...
Setting up libpangocairo-1.0-0:armhf (1.50.3+ds1-6) ...
Setting up libcairo-script-interpreter2:armhf (1.16.0-5) ...
Setting up libfabric1:armhf (1.11.0-3) ...
Setting up libboost-graph-dev:armhf (1.74.0.3+b4) ...
Setting up libfontconfig1-dev:armhf (2.13.1-4.4) ...
Setting up libboost-log1.74-dev (1.74.0-14) ...
Setting up dconf-gsettings-backend:armhf (0.40.0-3) ...
Setting up libegl-dev:armhf (1.4.0-1) ...
Setting up libpmix2:armhf (4.1.1~rc6-1) ...
Setting up libopenmpi3:armhf (4.1.2~rc1-5+rpi1+b1) ...
Setting up libboost-mpi1.74.0 (1.74.0-14) ...
Setting up libboost-iostreams-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-context1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-python1.74-dev (1.74.0-14) ...
Setting up libboost-python-dev (1.74.0.3+b4) ...
Setting up libboost-fiber1.74-dev:armhf (1.74.0-14) ...
Setting up libboost-type-erasure1.74-dev:armhf (1.74.0-14) ...
Setting up texlive-latex-base (2021.20220204-1) ...
Setting up texlive-latex-recommended (2021.20220204-1) ...
Setting up libglu1-mesa-dev:armhf (9.0.1-1) ...
Setting up libgvc6 (2.42.2-6+b1) ...
Setting up libboost-locale1.74-dev:armhf (1.74.0-14) ...
Setting up texlive-pictures (2021.20220204-1) ...
Setting up libboost-coroutine1.74-dev:armhf (1.74.0-14) ...
Setting up libcairo2-dev:armhf (1.16.0-5) ...
Setting up libboost-coroutine-dev:armhf (1.74.0.3+b4) ...
Setting up libgles-dev:armhf (1.4.0-1) ...
Setting up libboost-graph-parallel1.74.0 (1.74.0-14) ...
Setting up libboost-log-dev (1.74.0.3+b4) ...
Setting up libpmix-dev:armhf (4.1.1~rc6-1) ...
Setting up openmpi-bin (4.1.2~rc1-5+rpi1+b1) ...
update-alternatives: using /usr/bin/mpirun.openmpi to provide /usr/bin/mpirun (mpirun) in auto mode
update-alternatives: using /usr/bin/mpicc.openmpi to provide /usr/bin/mpicc (mpi) in auto mode
Setting up libgtk-3-common (3.24.31-1) ...
Setting up libboost-fiber-dev:armhf (1.74.0.3+b4) ...
Setting up graphviz (2.42.2-6+b1) ...
Setting up libgtk-3-0:armhf (3.24.31-1) ...
Setting up mpi-default-bin (1.14) ...
Setting up libglvnd-dev:armhf (1.4.0-1) ...
Setting up texlive-latex-extra (2021.20220204-1) ...
Setting up libboost-locale-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-context-dev:armhf (1.74.0.3+b4) ...
Setting up libwxgtk3.0-gtk3-0v5:armhf (3.0.5.1+dfsg-3) ...
Setting up libboost-type-erasure-dev:armhf (1.74.0.3+b4) ...
Setting up libboost-graph-parallel1.74-dev (1.74.0-14) ...
Setting up libgl1-mesa-dev:armhf (21.2.6-1+rpi1) ...
Setting up libopenmpi-dev:armhf (4.1.2~rc1-5+rpi1+b1) ...
update-alternatives: using /usr/lib/arm-linux-gnueabihf/openmpi/include to provide /usr/include/arm-linux-gnueabihf/mpi (mpi-arm-linux-gnueabihf) in auto mode
Setting up libboost-mpi-python1.74.0 (1.74.0-14) ...
Setting up libwxgtk3.0-gtk3-dev:armhf (3.0.5.1+dfsg-3) ...
update-alternatives: using /usr/lib/arm-linux-gnueabihf/wx/config/gtk3-unicode-3.0 to provide /usr/bin/wx-config (wx-config) in auto mode
Setting up libboost-graph-parallel-dev (1.74.0.3+b4) ...
Setting up mpi-default-dev (1.14) ...
Setting up libboost-mpi1.74-dev (1.74.0-14) ...
Setting up libboost-mpi-python1.74-dev (1.74.0-14) ...
Setting up libboost-mpi-python-dev (1.74.0.3+b4) ...
Setting up libboost-mpi-dev (1.74.0.3+b4) ...
Setting up libboost-all-dev (1.74.0.3+b4) ...
Setting up sbuild-build-depends-openbabel-dummy (0.invalid.0) ...
Processing triggers for libc-bin (2.33-5+rpi1) ...
Processing triggers for tex-common (6.17) ...
Running updmap-sys. This may take some time... done.
Running mktexlsr /var/lib/texmf ... done.
Building format(s) --all.
	This may take some time... done.
W: No sandbox user '_apt' on the system, can not drop privileges

+------------------------------------------------------------------------------+
| Build environment                                                            |
+------------------------------------------------------------------------------+

Kernel: Linux 4.9.0-0.bpo.2-armmp armhf (armv7l)
Toolchain package versions: binutils_2.37.90.20220130-2+rpi2 dpkg-dev_1.21.1+rpi1 g++-10_10.3.0-14+rpi1 gcc-10_10.3.0-14+rpi1 gcc-11_11.2.0-16+rpi1 libc6-dev_2.33-5+rpi1 libstdc++-10-dev_10.3.0-14+rpi1 libstdc++-11-dev_11.2.0-16+rpi1 libstdc++6_11.2.0-16+rpi1 linux-libc-dev_5.14.16-1+rpi1
Package versions: adduser_3.118 adwaita-icon-theme_41.0-1 apt_2.3.15 autoconf_2.71-2 automake_1:1.16.5-1.1 autopoint_0.21-4 autotools-dev_20220109.1 base-files_12+rpi1 base-passwd_3.5.52 bash_5.1-6 binutils_2.37.90.20220130-2+rpi2 binutils-arm-linux-gnueabihf_2.37.90.20220130-2+rpi2 binutils-common_2.37.90.20220130-2+rpi2 bsdextrautils_2.37.3-1 bsdutils_1:2.37.3-1 build-essential_12.9 bzip2_1.0.8-5 cmake_3.22.1-1+b1 cmake-data_3.22.1-1 coreutils_8.32-4.1 cpp_4:10.2.1-1+rpi1 cpp-10_10.3.0-14+rpi1 cpp-11_11.2.0-16+rpi1 dash_0.5.11+git20210903+057cd650a4ed-3 dbus_1.12.20-3 dbus-bin_1.12.20-3 dbus-daemon_1.12.20-3 dbus-session-bus-common_1.12.20-3 dbus-system-bus-common_1.12.20-3 dbus-user-session_1.12.20-3 dconf-gsettings-backend_0.40.0-3 dconf-service_0.40.0-3 debconf_1.5.79 debhelper_13.6 debianutils_4.11.2 dh-autoreconf_20 dh-elpa-helper_2.0.10 dh-python_5.20220119 dh-strip-nondeterminism_1.13.0-1 diffutils_1:3.7-5 dirmngr_2.2.27-3 dmsetup_2:1.02.175-2.1 doxygen_1.9.1-2 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libwxbase3.0-dev_3.0.5.1+dfsg-3 libwxgtk3.0-gtk3-0v5_3.0.5.1+dfsg-3 libwxgtk3.0-gtk3-dev_3.0.5.1+dfsg-3 libx11-6_2:1.7.2-2 libx11-data_2:1.7.2-2 libx11-dev_2:1.7.2-2 libx11-xcb1_2:1.7.2-2 libxapian30_1.4.18-4+b1 libxau-dev_1:1.0.9-1 libxau6_1:1.0.9-1 libxaw7_2:1.0.13-1.1 libxcb-dri2-0_1.14-3 libxcb-dri3-0_1.14-3 libxcb-glx0_1.14-3 libxcb-present0_1.14-3 libxcb-render0_1.14-3 libxcb-render0-dev_1.14-3 libxcb-shm0_1.14-3 libxcb-shm0-dev_1.14-3 libxcb-sync1_1.14-3 libxcb-xfixes0_1.14-3 libxcb1_1.14-3 libxcb1-dev_1.14-3 libxcomposite1_1:0.4.5-1 libxcursor1_1:1.2.0-2 libxdamage1_1:1.1.5-2 libxdmcp-dev_1:1.1.2-3 libxdmcp6_1:1.1.2-3 libxext-dev_2:1.3.4-1 libxext6_2:1.3.4-1 libxfixes3_1:6.0.0-1 libxi6_2:1.8-1 libxinerama1_2:1.1.4-3 libxkbcommon0_1.3.1-1 libxml2_2.9.12+dfsg-5 libxml2-dev_2.9.12+dfsg-5 libxmu6_2:1.1.2-2+b3 libxnvctrl0_470.103.01-1 libxpm4_1:3.5.12-1 libxrandr2_2:1.5.2-1 libxrender-dev_1:0.9.10-1 libxrender1_1:0.9.10-1 libxshmfence1_1.3-1 libxt6_1:1.2.0-1 libxxf86vm1_1:1.1.4-1+b2 libxxhash0_0.8.0-2+rpi1 libz3-4_4.8.12-1 libzstd1_1.4.8+dfsg-3+rpi1 libzzip-0-13_0.13.72+dfsg.1-1.1 linux-libc-dev_5.14.16-1+rpi1 login_1:4.11.1+dfsg1-1 logsave_1.46.5-2 lsb-base_11.1.0+rpi1 m4_1.4.18-5 make_4.3-4.1 man-db_2.10.0-2 mawk_1.3.4.20200120-3 media-types_5.0.0 mount_2.37.3-1 mpi-default-bin_1.14 mpi-default-dev_1.14 ncurses-base_6.3-2 ncurses-bin_6.3-2 netbase_6.3 ocl-icd-libopencl1_2.2.14-3 openmpi-bin_4.1.2~rc1-5+rpi1+b1 openmpi-common_4.1.2~rc1-5+rpi1 openssh-client_1:8.7p1-4 passwd_1:4.8.1-1 patch_2.7.6-7 perl_5.34.0-3 perl-base_5.34.0-3 perl-modules-5.32_5.32.1-6 perl-modules-5.34_5.34.0-3 pinentry-curses_1.1.0-4 pkg-config_0.29.2-1 po-debconf_1.0.21+nmu1 poppler-data_0.4.11-1 preview-latex-style_12.2-1 procps_2:3.3.17-6 python3_3.9.7-1+b4 python3-all_3.9.7-1+b4 python3-dev_3.9.7-1+b4 python3-distutils_3.9.10-1 python3-lib2to3_3.9.10-1 python3-minimal_3.9.7-1+b4 python3-pkg-resources_59.6.0-1.2 python3-setuptools_59.6.0-1.2 python3.9_3.9.10-1+rpi1 python3.9-dev_3.9.10-1+rpi1 python3.9-minimal_3.9.10-1+rpi1 rapidjson-dev_1.1.0+dfsg2-7 raspbian-archive-keyring_20120528.2 readline-common_8.1.2-1 rpcsvc-proto_1.4.2-4 sbuild-build-depends-core-dummy_0.invalid.0 sbuild-build-depends-openbabel-dummy_0.invalid.0 sed_4.8-1 sensible-utils_0.0.17 shared-mime-info_2.1-2 swig_4.0.2-2 swig4.0_4.0.2-2 systemd_250.3-2+rpi1 systemd-sysv_250.3-2+rpi1 sysvinit-utils_3.01-1 t1utils_1.41-4 tar_1.34+dfsg-1 tex-common_6.17 texlive-base_2021.20220204-1 texlive-binaries_2021.20210626.59705-1 texlive-latex-base_2021.20220204-1 texlive-latex-extra_2021.20220204-1 texlive-latex-recommended_2021.20220204-1 texlive-pictures_2021.20220204-1 tzdata_2021e-1 ucf_3.0043 util-linux_2.37.3-1 uuid-dev_2.37.3-1 wx-common_3.0.5.1+dfsg-3 wx3.0-headers_3.0.5.1+dfsg-3 x11-common_1:7.7+23 x11proto-dev_2021.5-1 xdg-utils_1.1.3-4.1 xkb-data_2.33-1 xorg-sgml-doctools_1:1.11-1.1 xtrans-dev_1.4.0-1 xz-utils_5.2.5-2 zlib1g_1:1.2.11.dfsg-2 zlib1g-dev_1:1.2.11.dfsg-2

+------------------------------------------------------------------------------+
| Build                                                                        |
+------------------------------------------------------------------------------+


Unpack source
-------------

gpgv: unknown type of key resource 'trustedkeys.kbx'
gpgv: keyblock resource '/tmp/dpkg-verify-sig.hl_d5IgU/trustedkeys.kbx': General error
gpgv: Signature made Thu Jun 10 13:23:29 2021 UTC
gpgv:                using RSA key 772292F6F7AC85FAE041D41EE5F43F9C2734F287
gpgv:                issuer "merkys@debian.org"
gpgv: Can't check signature: No public key
dpkg-source: warning: cannot verify signature ./openbabel_3.1.1+dfsg-6.dsc
dpkg-source: info: extracting openbabel in /<<BUILDDIR>>/openbabel-3.1.1+dfsg
dpkg-source: info: unpacking openbabel_3.1.1+dfsg.orig.tar.xz
dpkg-source: info: unpacking openbabel_3.1.1+dfsg-6.debian.tar.xz
dpkg-source: info: using patch list from debian/patches/series
dpkg-source: info: applying remove_link_top.diff
dpkg-source: info: applying 7de27f309db5f7ec026ef5c5235e5b33bf7d1a85.patch
dpkg-source: warning: diff '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/patches/2315.patch' patches file /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/CMakeLists.txt more than once
dpkg-source: warning: diff '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/patches/2315.patch' patches file /<<BUILDDIR>>/openbabel-3.1.1+dfsg/CMakeLists.txt more than once
dpkg-source: warning: diff '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/patches/2315.patch' patches file /<<BUILDDIR>>/openbabel-3.1.1+dfsg/OpenBabel3Config.cmake.in more than once
dpkg-source: info: applying 2315.patch
dpkg-source: info: applying 650b1f829ac47cc84877a330366ec9485da3ec99.patch

Check disc space
----------------

Sufficient free space for build

Hack binNMU version
-------------------

Created changelog entry for binNMU version 3.1.1+dfsg-6+b1

User Environment
----------------

APT_CONFIG=/var/lib/sbuild/apt.conf
DEB_BUILD_OPTIONS=parallel=4
HOME=/sbuild-nonexistent
LC_ALL=POSIX
LOGNAME=buildd
PATH=/usr/local/sbin:/usr/local/bin:/usr/sbin:/usr/bin:/sbin:/bin:/usr/games
SCHROOT_ALIAS_NAME=bookworm-staging-armhf-sbuild
SCHROOT_CHROOT_NAME=bookworm-staging-armhf-sbuild
SCHROOT_COMMAND=env
SCHROOT_GID=109
SCHROOT_GROUP=buildd
SCHROOT_SESSION_ID=bookworm-staging-armhf-sbuild-baf8a644-eb68-4041-8e9a-5a052af3c119
SCHROOT_UID=104
SCHROOT_USER=buildd
SHELL=/bin/sh
TERM=xterm
USER=buildd

dpkg-buildpackage
-----------------

dpkg-buildpackage: info: source package openbabel
dpkg-buildpackage: info: source version 3.1.1+dfsg-6+b1
dpkg-buildpackage: info: source distribution bookworm-staging
 dpkg-source --before-build .
dpkg-buildpackage: info: host architecture armhf
 debian/rules clean
dh clean --with=python3 --builddirectory=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir
   dh_auto_clean -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_autoreconf_clean -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_clean -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
 debian/rules binary-arch
dh binary-arch --with=python3 --builddirectory=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir
   dh_update_autotools_config -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_autoreconf -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   debian/rules override_dh_auto_configure
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_auto_configure -- -DCMAKE_BUILD_TYPE=None -DLIB_SUFFIX=/arm-linux-gnueabihf -DPYTHON_BINDINGS=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS=ON -DOBPERL_INSTALLDIRS=vendor -DRUN_SWIG=ON -DCMAKE_SKIP_RPATH=ON -DBUILD_GUI=ON -DENABLE_OPENMP=ON -DBUILD_DOCS=ON -DOPENBABEL_USE_SYSTEM_INCHI=ON
	cd builddir && cmake -DCMAKE_INSTALL_PREFIX=/usr -DCMAKE_BUILD_TYPE=None -DCMAKE_INSTALL_SYSCONFDIR=/etc -DCMAKE_INSTALL_LOCALSTATEDIR=/var -DCMAKE_EXPORT_NO_PACKAGE_REGISTRY=ON -DCMAKE_FIND_USE_PACKAGE_REGISTRY=OFF -DCMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY=ON -DCMAKE_INSTALL_RUNSTATEDIR=/run "-GUnix Makefiles" -DCMAKE_VERBOSE_MAKEFILE=ON -DCMAKE_INSTALL_LIBDIR=lib/arm-linux-gnueabihf -DCMAKE_BUILD_TYPE=None -DLIB_SUFFIX=/arm-linux-gnueabihf -DPYTHON_BINDINGS=ON -DPYTHON_EXECUTABLE=/usr/bin/python3 -DPERL_BINDINGS=ON -DOBPERL_INSTALLDIRS=vendor -DRUN_SWIG=ON -DCMAKE_SKIP_RPATH=ON -DBUILD_GUI=ON -DENABLE_OPENMP=ON -DBUILD_DOCS=ON -DOPENBABEL_USE_SYSTEM_INCHI=ON ..
-- The C compiler identification is GNU 10.3.0
-- The CXX compiler identification is GNU 10.3.0
-- Detecting C compiler ABI info
-- Detecting C compiler ABI info - done
-- Check for working C compiler: /usr/bin/cc - skipped
-- Detecting C compile features
-- Detecting C compile features - done
-- Detecting CXX compiler ABI info
-- Detecting CXX compiler ABI info - done
-- Check for working CXX compiler: /usr/bin/c++ - skipped
-- Detecting CXX compile features
-- Detecting CXX compile features - done
CMake Deprecation Warning at CMakeLists.txt:14 (cmake_policy):
  The OLD behavior for policy CMP0042 will be removed from a future version
  of CMake.

  The cmake-policies(7) manual explains that the OLD behaviors of all
  policies are deprecated and that a policy should be set to OLD only under
  specific short-term circumstances.  Projects should be ported to the NEW
  behavior and not rely on setting a policy to OLD.


CMake Warning (dev) at /usr/share/cmake-3.22/Modules/FindPackageHandleStandardArgs.cmake:438 (message):
  The package name passed to `find_package_handle_standard_args` (INCHI) does
  not match the name of the calling package (Inchi).  This can lead to
  problems in calling code that expects `find_package` result variables
  (e.g., `_FOUND`) to follow a certain pattern.
Call Stack (most recent call first):
  cmake/modules/FindInchi.cmake:19 (find_package_handle_standard_args)
  CMakeLists.txt:145 (find_package)
This warning is for project developers.  Use -Wno-dev to suppress it.

-- Found INCHI: /usr/lib/arm-linux-gnueabihf/libinchi.so  
-- Found LibXml2: /usr/lib/arm-linux-gnueabihf/libxml2.so (found version "2.9.12") 
-- Found ZLIB: /usr/lib/arm-linux-gnueabihf/libz.so (found version "1.2.11") 
-- Found wxWidgets: -L/usr/lib/arm-linux-gnueabihf;-pthread;;;-lwx_baseu-3.0;-lwx_gtk3u_core-3.0;-lwx_gtk3u_adv-3.0 (found version "3.0.5") 
-- Looking for conio.h
-- Looking for conio.h - not found
-- Looking for sys/time.h
-- Looking for sys/time.h - found
-- Looking for time.h
-- Looking for time.h - found
-- Looking for strings.h
-- Looking for strings.h - found
-- Looking for rpc/xdr.h
-- Looking for rpc/xdr.h - not found
-- Looking for regex.h
-- Looking for regex.h - found
-- Looking for C++ include sstream
-- Looking for C++ include sstream - found
-- Looking for rint
-- Looking for rint - not found
-- Looking for snprintf
-- Looking for snprintf - found
-- Looking for sranddev
-- Looking for sranddev - not found
-- Looking for strcasecmp
-- Looking for strcasecmp - found
-- Looking for strncasecmp
-- Looking for strncasecmp - found
-- Looking for dlopen in dl
-- Looking for dlopen in dl - found
-- Looking for sys/types.h
-- Looking for sys/types.h - found
-- Looking for stdint.h
-- Looking for stdint.h - found
-- Looking for stddef.h
-- Looking for stddef.h - found
-- Check size of clock_t
-- Check size of clock_t - done
-- Performing Test SCANDIR_NEEDS_CONST
-- Performing Test SCANDIR_NEEDS_CONST - Failed
-- Performing Test HAVE_GCC_VISIBILITY
-- Performing Test HAVE_GCC_VISIBILITY - Success
-- Checking available shared pointer...
-- Performing Test HAVE_STD_SHARED_PTR
-- Performing Test HAVE_STD_SHARED_PTR - Failed
-- Performing Test HAVE_STD_TR1_SHARED_PTR
-- Performing Test HAVE_STD_TR1_SHARED_PTR - Failed
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER
-- Performing Test HAVE_STD_TR1_SHARED_PTR_IN_TR1_HEADER - Success
-- Use std::tr1::shared_ptr in tr1/memory
-- Found Boost: /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0") found components: program_options iostreams 
-- Found OpenMP_C: -fopenmp (found version "4.5") 
-- Found OpenMP_CXX: -fopenmp (found version "4.5") 
-- Found OpenMP: TRUE (found version "4.5")  
-- Found Eigen3: /usr/include/eigen3 (Required is at least version "2.91.0") 
-- Found Boost: /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0") found components: filesystem iostreams unit_test_framework 
-- maeparser include dir set as '/usr/include'
-- maeparser libraries set as '/usr/lib/arm-linux-gnueabihf/libmaeparser.so'
-- Maestro formats will be supported. Using MaeParser libraries at /usr/lib/arm-linux-gnueabihf/libmaeparser.so.
-- coordgen include dir set as /usr/include
-- coordgen libraries set as '/usr/lib/arm-linux-gnueabihf/libcoordgen.so'
-- coordgen templates file set as '/usr/share/coordgen/templates.mae'
-- Coordinate generation with Coordgen will be supported. Using Coordgen libraries at /usr/lib/arm-linux-gnueabihf/libcoordgen.so.
-- Found PkgConfig: /usr/bin/pkg-config (found version "0.29.2") 
-- Found RapidJSON: /usr/include (found suitable version "1.1.0", minimum required is "1.1.0") 
-- JSON formats will be supported. Using RapidJSON 1.1.0 at /usr/include
-- Checking for module 'cairo'
--   Found cairo, version 1.16.0
-- Found Cairo: /usr/lib/arm-linux-gnueabihf/libcairo.so  
-- Cairo found. PNG output will be supported.
-- Found Doxygen: /usr/bin/doxygen (found version "1.9.1") found components: doxygen dot 
-- Found Boost: /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found suitable version "1.74.0", minimum required is "1.45.0") found components: system 
-- Looking for pthread.h
-- Looking for pthread.h - found
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD
-- Performing Test CMAKE_HAVE_LIBC_PTHREAD - Success
-- Found Threads: TRUE  
-- Found Boost: /usr/lib/arm-linux-gnueabihf/cmake/Boost-1.74.0/BoostConfig.cmake (found version "1.74.0") found components: program_options iostreams 
-- Looking for getopt
-- Looking for getopt - found
-- Attempting to build the GUI
--    wxWidgets found => GUI will be built
-- Found PythonInterp: /usr/bin/python3 (found version "3.9.10") 
CMake Deprecation Warning at scripts/CMakeLists.txt:1 (cmake_minimum_required):
  Compatibility with CMake < 2.8.12 will be removed from a future version of
  CMake.

  Update the VERSION argument <min> value or use a ...<max> suffix to tell
  CMake that the project does not need compatibility with older versions.


-- Found SWIG: /usr/bin/swig4.0 (found version "4.0.2")  
-- Found SWIG: /usr/bin/swig4.0 (found suitable version "4.0.2", minimum required is "2.0")  
-- Found PythonLibs: /usr/lib/arm-linux-gnueabihf/libpython3.9.so (found version "3.9.10") 
-- Python bindings will be compiled
-- Found Perl: /usr/bin/perl (found version "5.34.0") 
-- Found PerlLibs: /usr/lib/arm-linux-gnueabihf/libperl.so.5.34 (found version "5.34.0") 
-- Perl bindings will be compiled
-- Configuring done
-- Generating done
CMake Warning:
  Manually-specified variables were not used by the project:

    CMAKE_EXPORT_NO_PACKAGE_REGISTRY
    CMAKE_FIND_PACKAGE_NO_PACKAGE_REGISTRY
    OBPERL_INSTALLDIRS


-- Build files have been written to: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   debian/rules override_dh_auto_build
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_auto_build
	cd builddir && make -j4 "INSTALL=install --strip-program=true" VERBOSE=1
make[2]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/cmake -S/<<BUILDDIR>>/openbabel-3.1.1+dfsg -B/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/CMakeFiles /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir//CMakeFiles/progress.marks
make  -f CMakeFiles/Makefile2 all
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/atom.cpp.o
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/alias.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/alias.cpp.o -MF CMakeFiles/openbabel.dir/alias.cpp.o.d -o CMakeFiles/openbabel.dir/alias.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/alias.cpp
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/atom.cpp.o -MF CMakeFiles/openbabel.dir/atom.cpp.o.d -o CMakeFiles/openbabel.dir/atom.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/atom.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/base.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/base.cpp.o -MF CMakeFiles/openbabel.dir/base.cpp.o.d -o CMakeFiles/openbabel.dir/base.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/base.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bitvec.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/bitvec.cpp.o -MF CMakeFiles/openbabel.dir/bitvec.cpp.o.d -o CMakeFiles/openbabel.dir/bitvec.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/bitvec.cpp
[  1%] Building CXX object src/CMakeFiles/openbabel.dir/bond.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/bond.cpp.o -MF CMakeFiles/openbabel.dir/bond.cpp.o.d -o CMakeFiles/openbabel.dir/bond.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/bond.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/bondtyper.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/bondtyper.cpp.o -MF CMakeFiles/openbabel.dir/bondtyper.cpp.o.d -o CMakeFiles/openbabel.dir/bondtyper.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/bondtyper.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/builder.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/builder.cpp.o -MF CMakeFiles/openbabel.dir/builder.cpp.o.d -o CMakeFiles/openbabel.dir/builder.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/builder.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/canon.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/canon.cpp.o -MF CMakeFiles/openbabel.dir/canon.cpp.o.d -o CMakeFiles/openbabel.dir/canon.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/canon.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chains.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/chains.cpp.o -MF CMakeFiles/openbabel.dir/chains.cpp.o.d -o CMakeFiles/openbabel.dir/chains.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/chains.cpp
[  2%] Building CXX object src/CMakeFiles/openbabel.dir/chargemodel.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/chargemodel.cpp.o -MF CMakeFiles/openbabel.dir/chargemodel.cpp.o.d -o CMakeFiles/openbabel.dir/chargemodel.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/chargemodel.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/chargemodel.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::OBChargeModel::FillChargeVectors(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/data.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/data.cpp.o -MF CMakeFiles/openbabel.dir/data.cpp.o.d -o CMakeFiles/openbabel.dir/data.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data.cpp
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/data_utilities.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/data_utilities.cpp.o -MF CMakeFiles/openbabel.dir/data_utilities.cpp.o.d -o CMakeFiles/openbabel.dir/data_utilities.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data_utilities.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/builder.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/builder.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data_utilities.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data_utilities.cpp:28:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data_utilities.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data_utilities.cpp:28:
/usr/include/c++/10/bits/stl_vector.h: In function 'bool OpenBabel::extract_thermochemistry(OpenBabel::OBMol&, bool, int*, int, double, double*, double*, double*, double*, double*, double*, double*, double*, std::vector<double>&, double*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/builder.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/builder.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBBuilder::LoadFragments()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/descriptor.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/descriptor.cpp.o -MF CMakeFiles/openbabel.dir/descriptor.cpp.o.d -o CMakeFiles/openbabel.dir/descriptor.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptor.cpp
/usr/include/c++/10/bits/stl_vector.h: In member function 'std::vector<OpenBabel::vector3> OpenBabel::OBBuilder::GetFragmentCoord(std::string)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data.cpp:25:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBAtomHOF&}; _Tp = OpenBabel::OBAtomHOF; _Alloc = std::allocator<OpenBabel::OBAtomHOF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBAtomHOF>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data.cpp:25:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual void OpenBabel::OBAtomicHeatOfFormationTable::ParseLine(const char*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBAtomHOF*, std::vector<OpenBabel::OBAtomHOF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/elements.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/elements.cpp.o -MF CMakeFiles/openbabel.dir/elements.cpp.o.d -o CMakeFiles/openbabel.dir/elements.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/elements.cpp
/usr/include/c++/10/bits/stl_vector.h: In static member function 'static void OpenBabel::OBBuilder::ConnectFrags(OpenBabel::OBMol&, OpenBabel::OBMol&, std::vector<int>, std::vector<OpenBabel::vector3>, std::vector<int>)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  3%] Building CXX object src/CMakeFiles/openbabel.dir/fingerprint.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/fingerprint.cpp.o -MF CMakeFiles/openbabel.dir/fingerprint.cpp.o.d -o CMakeFiles/openbabel.dir/fingerprint.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/fingerprint.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/forcefield.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/forcefield.cpp.o -MF CMakeFiles/openbabel.dir/forcefield.cpp.o.d -o CMakeFiles/openbabel.dir/forcefield.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/format.cpp.o -MF CMakeFiles/openbabel.dir/format.cpp.o.d -o CMakeFiles/openbabel.dir/format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/format.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/generic.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/generic.cpp.o -MF CMakeFiles/openbabel.dir/generic.cpp.o.d -o CMakeFiles/openbabel.dir/generic.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/graphsym.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/graphsym.cpp.o -MF CMakeFiles/openbabel.dir/graphsym.cpp.o.d -o CMakeFiles/openbabel.dir/graphsym.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/graphsym.cpp
[  4%] Building CXX object src/CMakeFiles/openbabel.dir/grid.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/grid.cpp.o -MF CMakeFiles/openbabel.dir/grid.cpp.o.d -o CMakeFiles/openbabel.dir/grid.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/grid.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/grid.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_fill_insert(std::vector<_Tp, _Alloc>::iterator, std::vector<_Tp, _Alloc>::size_type, const value_type&) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:509:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  509 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:509:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/grid.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFloatGrid::Init(OpenBabel::OBMol&, double, double)':
/usr/include/c++/10/bits/stl_vector.h:960:18: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  960 |    _M_fill_insert(end(), __new_size - size(), __x);
      |    ~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/griddata.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/griddata.cpp.o -MF CMakeFiles/openbabel.dir/griddata.cpp.o.d -o CMakeFiles/openbabel.dir/griddata.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/griddata.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBAngle&}; _Tp = OpenBabel::OBAngle; _Alloc = std::allocator<OpenBabel::OBAngle>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBAngle>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBAngleData::SetData(OpenBabel::OBAngle&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBAngle*, std::vector<OpenBabel::OBAngle> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/isomorphism.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/isomorphism.cpp.o -MF CMakeFiles/openbabel.dir/isomorphism.cpp.o.d -o CMakeFiles/openbabel.dir/isomorphism.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/isomorphism.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double>&}; _Tp = OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double>; _Alloc = std::allocator<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> >::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::quad<OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*>&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double>*, std::vector<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In constructor 'OpenBabel::OBTorsion::OBTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double>*, std::vector<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBTorsion::AddTorsion(OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*, OpenBabel::OBAtom*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double>*, std::vector<OpenBabel::triple<OpenBabel::OBAtom*, OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/kekulize.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/kekulize.cpp.o -MF CMakeFiles/openbabel.dir/kekulize.cpp.o.d -o CMakeFiles/openbabel.dir/kekulize.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/kekulize.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator<OpenBabel::OBOrbital>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBOrbital>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBOrbital>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/generic.cpp:25:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBOrbitalData::LoadClosedShellOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, unsigned int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBOrbitalData::LoadAlphaOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, unsigned int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBOrbitalData::LoadBetaOrbitals(std::vector<double>, std::vector<std::__cxx11::basic_string<char> >, unsigned int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/forcefield.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp:24:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFConstraint&}; _Tp = OpenBabel::OBFFConstraint; _Alloc = std::allocator<OpenBabel::OBFFConstraint>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFConstraint>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/forcefield.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp:24:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddTorsionConstraint(int, int, int, int, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddIgnore(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddDistanceConstraint(int, int, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomConstraint(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomYConstraint(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomXConstraint(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddAtomZConstraint(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBFFConstraints::AddAngleConstraint(int, int, int, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFConstraint*, std::vector<OpenBabel::OBFFConstraint> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/forcefield.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp:24:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/locale.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/locale.cpp.o -MF CMakeFiles/openbabel.dir/locale.cpp.o.d -o CMakeFiles/openbabel.dir/locale.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/locale.cpp
[  5%] Building CXX object src/CMakeFiles/openbabel.dir/matrix.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/matrix.cpp.o -MF CMakeFiles/openbabel.dir/matrix.cpp.o.d -o CMakeFiles/openbabel.dir/matrix.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/matrix.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceField::SystematicRotorSearchNextConformer(unsigned int)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceField::RandomRotorSearchNextConformer(unsigned int)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::OBForceField::WeightedRotorSearch(unsigned int, unsigned int, bool)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/forcefield.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp:24:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/mcdlutil.cpp.o -MF CMakeFiles/openbabel.dir/mcdlutil.cpp.o.d -o CMakeFiles/openbabel.dir/mcdlutil.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mcdlutil.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/forcefield.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefield.cpp:24:
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceField::GetCoordinates(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/molchrg.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/molchrg.cpp.o -MF CMakeFiles/openbabel.dir/molchrg.cpp.o.d -o CMakeFiles/openbabel.dir/molchrg.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/molchrg.cpp
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/mol.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/mol.cpp.o -MF CMakeFiles/openbabel.dir/mol.cpp.o.d -o CMakeFiles/openbabel.dir/mol.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/obconversion.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/obconversion.cpp.o -MF CMakeFiles/openbabel.dir/obconversion.cpp.o.d -o CMakeFiles/openbabel.dir/obconversion.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obconversion.cpp
[  6%] Building CXX object src/CMakeFiles/openbabel.dir/oberror.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/oberror.cpp.o -MF CMakeFiles/openbabel.dir/oberror.cpp.o.d -o CMakeFiles/openbabel.dir/oberror.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/oberror.cpp
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/obfunctions.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/obfunctions.cpp.o -MF CMakeFiles/openbabel.dir/obfunctions.cpp.o.d -o CMakeFiles/openbabel.dir/obfunctions.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obfunctions.cpp
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/obiter.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/obiter.cpp.o -MF CMakeFiles/openbabel.dir/obiter.cpp.o.d -o CMakeFiles/openbabel.dir/obiter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obiter.cpp
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/obutil.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/obutil.cpp.o -MF CMakeFiles/openbabel.dir/obutil.cpp.o.d -o CMakeFiles/openbabel.dir/obutil.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obutil.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const std::pair<OpenBabel::OBAtom*, double>&}; _Tp = std::pair<OpenBabel::OBAtom*, double>; _Alloc = std::allocator<std::pair<OpenBabel::OBAtom*, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<OpenBabel::OBAtom*, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/op.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/op.cpp.o -MF CMakeFiles/openbabel.dir/op.cpp.o.d -o CMakeFiles/openbabel.dir/op.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/op.cpp
[  7%] Building CXX object src/CMakeFiles/openbabel.dir/parsmart.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/parsmart.cpp.o -MF CMakeFiles/openbabel.dir/parsmart.cpp.o.d -o CMakeFiles/openbabel.dir/parsmart.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/parsmart.cpp
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/patty.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/patty.cpp.o -MF CMakeFiles/openbabel.dir/patty.cpp.o.d -o CMakeFiles/openbabel.dir/patty.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/patty.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'std::vector<OpenBabel::OBMol> OpenBabel::OBMol::Separate(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:24:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
   79 |     __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b,
      |     ^~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:24:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Distance = int; _Tp = std::pair<OpenBabel::OBAtom*, double>; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:24:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1667 |     __heap_select(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1929 |       std::__move_median_to_first(__first, __first + 1, __mid, __last - 1,
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1930 |       __comp);
      |       ~~~~~~~                     
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1942:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1942 |       std::__heap_select(__first, __middle, __last, __comp);
      |       ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBMol::PerceiveBondOrders()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:24:
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBMol::ConnectTheDots()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/mol.cpp:24:
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/phmodel.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/phmodel.cpp.o -MF CMakeFiles/openbabel.dir/phmodel.cpp.o.d -o CMakeFiles/openbabel.dir/phmodel.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/phmodel.cpp
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/plugin.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/plugin.cpp.o -MF CMakeFiles/openbabel.dir/plugin.cpp.o.d -o CMakeFiles/openbabel.dir/plugin.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/plugin.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/phmodel.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual void OpenBabel::OBPhModel::ParseLine(const char*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/pointgroup.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/pointgroup.cpp.o -MF CMakeFiles/openbabel.dir/pointgroup.cpp.o.d -o CMakeFiles/openbabel.dir/pointgroup.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/pointgroup.cpp
[  8%] Building CXX object src/CMakeFiles/openbabel.dir/query.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/query.cpp.o -MF CMakeFiles/openbabel.dir/query.cpp.o.d -o CMakeFiles/openbabel.dir/query.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/query.cpp
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rand.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/rand.cpp.o -MF CMakeFiles/openbabel.dir/rand.cpp.o.d -o CMakeFiles/openbabel.dir/rand.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rand.cpp
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/reactionfacade.cpp.o -MF CMakeFiles/openbabel.dir/reactionfacade.cpp.o.d -o CMakeFiles/openbabel.dir/reactionfacade.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/reactionfacade.cpp
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/residue.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/residue.cpp.o -MF CMakeFiles/openbabel.dir/residue.cpp.o.d -o CMakeFiles/openbabel.dir/residue.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/residue.cpp
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/ring.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/ring.cpp.o -MF CMakeFiles/openbabel.dir/ring.cpp.o.d -o CMakeFiles/openbabel.dir/ring.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ring.cpp
[  9%] Building CXX object src/CMakeFiles/openbabel.dir/rotamer.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/rotamer.cpp.o -MF CMakeFiles/openbabel.dir/rotamer.cpp.o.d -o CMakeFiles/openbabel.dir/rotamer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotamer.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/rotor.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/rotor.cpp.o -MF CMakeFiles/openbabel.dir/rotor.cpp.o.d -o CMakeFiles/openbabel.dir/rotor.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotor.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotamer.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotamer.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBRotamerList::Setup(OpenBabel::OBMol&, OpenBabel::OBRotorList&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/spectrophore.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/spectrophore.cpp.o -MF CMakeFiles/openbabel.dir/spectrophore.cpp.o.d -o CMakeFiles/openbabel.dir/spectrophore.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/spectrophore.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/tautomer.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/tautomer.cpp.o -MF CMakeFiles/openbabel.dir/tautomer.cpp.o.d -o CMakeFiles/openbabel.dir/tautomer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/tautomer.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotor.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotor.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBRotor::RemoveSymTorsionValues(int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/rotor.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::OBRotor::Precalc(std::vector<double*>&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual void OpenBabel::OBRotorRules::ParseLine(const char*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/tokenst.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/tokenst.cpp.o -MF CMakeFiles/openbabel.dir/tokenst.cpp.o.d -o CMakeFiles/openbabel.dir/tokenst.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/tokenst.cpp
[ 10%] Building CXX object src/CMakeFiles/openbabel.dir/transform.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/transform.cpp.o -MF CMakeFiles/openbabel.dir/transform.cpp.o.d -o CMakeFiles/openbabel.dir/transform.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/transform.cpp
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/typer.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/typer.cpp.o -MF CMakeFiles/openbabel.dir/typer.cpp.o.d -o CMakeFiles/openbabel.dir/typer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/typer.cpp
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/obmolecformat.cpp.o -MF CMakeFiles/openbabel.dir/obmolecformat.cpp.o.d -o CMakeFiles/openbabel.dir/obmolecformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obmolecformat.cpp
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/conformersearch.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/conformersearch.cpp.o -MF CMakeFiles/openbabel.dir/conformersearch.cpp.o.d -o CMakeFiles/openbabel.dir/conformersearch.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/confsearch.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/confsearch.cpp.o -MF CMakeFiles/openbabel.dir/confsearch.cpp.o.d -o CMakeFiles/openbabel.dir/confsearch.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obmolecformat.cpp:19:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/obmolecformat.cpp:19:
/usr/include/c++/10/bits/stl_vector.h: In static member function 'static bool OpenBabel::OBMoleculeFormat::ReadChemObjectImpl(OpenBabel::OBConversion*, OpenBabel::OBFormat*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 11%] Building CXX object src/CMakeFiles/openbabel.dir/distgeom.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/distgeom.cpp.o -MF CMakeFiles/openbabel.dir/distgeom.cpp.o.d -o CMakeFiles/openbabel.dir/distgeom.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/distgeom.cpp
In file included from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:21:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<OpenBabel::CompareConformerLowScore>]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerLowScore>]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<OpenBabel::CompareConformerHighScore>]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerHighScore>]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:21:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Distance = int; _Tp = OpenBabel::ConformerScore; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerLowScore>]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Distance = int; _Tp = OpenBabel::ConformerScore; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerHighScore>]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -MF CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o.d -o CMakeFiles/openbabel.dir/dlhandler_unix.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/dlhandler_unix.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/conformersearch.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual double OpenBabel::OBRMSDConformerScore::Score(OpenBabel::OBMol&, unsigned int, const RotorKeys&, const std::vector<double*>&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator<OpenBabel::ConformerScore>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::ConformerScore>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::ConformerScore}; _Tp = OpenBabel::ConformerScore; _Alloc = std::allocator<OpenBabel::ConformerScore>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'int OpenBabel::OBConformerSearch::share_fitness()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/depict/depict.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/depict/depict.cpp.o -MF CMakeFiles/openbabel.dir/depict/depict.cpp.o.d -o CMakeFiles/openbabel.dir/depict/depict.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:46,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/conformersearch.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:20:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::vector<int>; _Val = std::pair<const std::vector<int>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::vector<int>, double> >; _Compare = std::less<std::vector<int> >; _Alloc = std::allocator<std::pair<const std::vector<int>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::vector<int>, std::pair<const std::vector<int>, double>, std::_Select1st<std::pair<const std::vector<int>, double> >, std::less<std::vector<int> >, std::allocator<std::pair<const std::vector<int>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::vector<int, std::allocator<int> >&>, std::tuple<>}; _Key = std::vector<int>; _Val = std::pair<const std::vector<int>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::vector<int>, double> >; _Compare = std::less<std::vector<int> >; _Alloc = std::allocator<std::pair<const std::vector<int>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::vector<int>, std::pair<const std::vector<int>, double>, std::_Select1st<std::pair<const std::vector<int>, double> >, std::less<std::vector<int> >, std::allocator<std::pair<const std::vector<int>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:46,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/conformersearch.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:20:
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual double OpenBabel::OBMinimizingEnergyConformerScore::Score(OpenBabel::OBMol&, unsigned int, const RotorKeys&, const std::vector<double*>&)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::vector<int>, std::pair<const std::vector<int>, double>, std::_Select1st<std::pair<const std::vector<int>, double> >, std::less<std::vector<int> >, std::allocator<std::pair<const std::vector<int>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual double OpenBabel::OBEnergyConformerScore::Score(OpenBabel::OBMol&, unsigned int, const RotorKeys&, const std::vector<double*>&)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::vector<int>, std::pair<const std::vector<int>, double>, std::_Select1st<std::pair<const std::vector<int>, double> >, std::less<std::vector<int> >, std::allocator<std::pair<const std::vector<int>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:21:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerHighScore>]':
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1667 |     __heap_select(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In constructor 'OpenBabel::OBDiversePoses::OBDiversePoses(const OpenBabel::OBMol&, double, bool)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerHighScore>]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1942:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1942 |       std::__heap_select(__first, __middle, __last, __comp);
      |       ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In function 'std::vector<OpenBabel::vector3> OpenBabel::GetHeavyAtomCoords(const OpenBabel::OBMol*, const std::vector<OpenBabel::vector3>&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerLowScore>]':
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1667 |     __heap_select(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h: In member function 'std::vector<OpenBabel::vector3> OpenBabel::OBDiversePoses::GetHeavyAtomCoords(const std::vector<OpenBabel::vector3>&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const std::pair<std::vector<OpenBabel::vector3, std::allocator<OpenBabel::vector3> >, double>&}; _Tp = std::pair<std::vector<OpenBabel::vector3>, double>; _Alloc = std::allocator<std::pair<std::vector<OpenBabel::vector3>, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<std::vector<OpenBabel::vector3>, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::CompareConformerLowScore>]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1942:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1942 |       std::__heap_select(__first, __middle, __last, __comp);
      |       ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {std::pair<std::vector<OpenBabel::vector3, std::allocator<OpenBabel::vector3> >, double>}; _Tp = std::pair<std::vector<OpenBabel::vector3>, double>; _Alloc = std::allocator<std::pair<std::vector<OpenBabel::vector3>, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<std::vector<OpenBabel::vector3>, double> >::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In member function 'double OpenBabel::OBConformerSearch::MakeSelection()':
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBDiversePoses::AddPose(std::vector<OpenBabel::vector3>, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In member function 'int OpenBabel::OBConformerSearch::score_population()':
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::ConformerScore*, std::vector<OpenBabel::ConformerScore> >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/conformersearch.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/conformersearch.cpp:20:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBDiversePoses::AddPose(double*, double)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:27:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
   79 |     __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b,
      |     ^~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:27:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Distance = int; _Tp = std::pair<std::vector<OpenBabel::vector3>, double>; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__make_heap(_RandomAccessIterator, _RandomAccessIterator, _Compare&) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_heap.h:339:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
  339 |     __make_heap(_RandomAccessIterator __first, _RandomAccessIterator __last,
      |     ^~~~~~~~~~~
/usr/include/c++/10/bits/stl_heap.h:339:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
In file included from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:27:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<std::vector<OpenBabel::vector3>, double>&, const std::pair<std::vector<OpenBabel::vector3>, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1929 |       std::__move_median_to_first(__first, __first + 1, __mid, __last - 1,
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1930 |       __comp);
      |       ~~~~~~~                     
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1671:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1671 |       std::__make_heap(__first, __middle, __comp);
      |       ~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void OpenBabel::UpdateConformersFromTree(OpenBabel::OBMol*, std::vector<double>&, OpenBabel::OBDiversePoses*, bool)':
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<std::vector<OpenBabel::vector3>, double>*, std::vector<std::pair<std::vector<OpenBabel::vector3>, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'int OpenBabel::OBForceField::DiverseConfGen(double, unsigned int, double, bool)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/atom.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:22:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -MF CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o.d -o CMakeFiles/openbabel.dir/depict/svgpainter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/svgpainter.cpp
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -MF CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o.d -o CMakeFiles/openbabel.dir/math/matrix3x3.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/matrix3x3.cpp
[ 12%] Building CXX object src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -MF CMakeFiles/openbabel.dir/math/spacegroup.cpp.o.d -o CMakeFiles/openbabel.dir/math/spacegroup.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/spacegroup.cpp
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/math/transform3d.cpp.o -MF CMakeFiles/openbabel.dir/math/transform3d.cpp.o.d -o CMakeFiles/openbabel.dir/math/transform3d.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/transform3d.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const std::pair<OpenBabel::OBAtom*, double>&}; _Tp = std::pair<OpenBabel::OBAtom*, double>; _Alloc = std::allocator<std::pair<OpenBabel::OBAtom*, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<OpenBabel::OBAtom*, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {std::pair<double, double>}; _Tp = std::pair<double, double>; _Alloc = std::allocator<std::pair<double, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<double, double> >::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair<double, double>}; _Tp = std::pair<double, double>; _Alloc = std::allocator<std::pair<double, double> >]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<double, double>*, std::vector<std::pair<double, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual void OpenBabel::OBDepictPrivateBallAndStick::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<double, double>*, std::vector<std::pair<double, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual void OpenBabel::OBDepictPrivate::DrawWedge(OpenBabel::OBAtom*, OpenBabel::OBAtom*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<double, double>*, std::vector<std::pair<double, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:22:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
   79 |     __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b,
      |     ^~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:22:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Distance = int; _Tp = std::pair<OpenBabel::OBAtom*, double>; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:22:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1667 |     __heap_select(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<bool (*)(const std::pair<OpenBabel::OBAtom*, double>&, const std::pair<OpenBabel::OBAtom*, double>&)>]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1929 |       std::__move_median_to_first(__first, __first + 1, __mid, __last - 1,
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1930 |       __comp);
      |       ~~~~~~~                     
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1942:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1942 |       std::__heap_select(__first, __middle, __last, __comp);
      |       ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBDepict::DrawMolecule(OpenBabel::OBMol*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/ring.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/depict.cpp:22:
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBAtom*, double>*, std::vector<std::pair<OpenBabel::OBAtom*, double> > >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/math/vector3.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/math/vector3.cpp.o -MF CMakeFiles/openbabel.dir/math/vector3.cpp.o.d -o CMakeFiles/openbabel.dir/math/vector3.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/vector3.cpp
[ 13%] Building CXX object src/CMakeFiles/openbabel.dir/math/align.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/math/align.cpp.o -MF CMakeFiles/openbabel.dir/math/align.cpp.o.d -o CMakeFiles/openbabel.dir/math/align.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/align.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -MF CMakeFiles/openbabel.dir/stereo/stereo.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/stereo.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/stereo.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetranonplanar.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/tetranonplanar.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -MF CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/squareplanar.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/squareplanar.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -MF CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/tetrahedral.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/tetrahedral.cpp
[ 14%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/perception.cpp.o -MF CMakeFiles/openbabel.dir/stereo/perception.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/perception.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp
[ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/facade.cpp.o -MF CMakeFiles/openbabel.dir/stereo/facade.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/facade.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/facade.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp: In function 'void OpenBabel::StereoRefToImplicit(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:2973:16: warning: 'template<class _Operation> class std::binder1st' is deprecated [-Wdeprecated-declarations]
 2973 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_atomId = std::bind1st (equal_to<OBStereo::Ref>(), atomId);
      |                ^~~~~~~~~
In file included from /usr/include/c++/10/bits/stl_function.h:1392,
                 from /usr/include/c++/10/bits/stl_tree.h:65,
                 from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp: In function 'void OpenBabel::ImplicitRefToStereo(OpenBabel::OBMol&, OpenBabel::OBStereo::Ref, OpenBabel::OBStereo::Ref)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:3005:16: warning: 'template<class _Operation> class std::binder1st' is deprecated [-Wdeprecated-declarations]
 3005 |     const std::binder1st<std::equal_to<OBStereo::Ref> > equal_to_implicitRef = std::bind1st (equal_to<OBStereo::Ref>(), (OBStereo::Ref) OBStereo::ImplicitRef);
      |                ^~~~~~~~~
In file included from /usr/include/c++/10/bits/stl_function.h:1392,
                 from /usr/include/c++/10/bits/stl_tree.h:65,
                 from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/backward/binders.h:108:11: note: declared here
  108 |     class binder1st
      |           ^~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/align.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/align.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBAlign::SetTargetMol(const OpenBabel::OBMol&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::OBAlign::SetRefMol(const OpenBabel::OBMol&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/align.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 15%] Building CXX object src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMAKE_OBDLL -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -MF CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o.d -o CMakeFiles/openbabel.dir/stereo/gen3dstereohelper.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/gen3dstereohelper.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/distgeom.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/distgeom.cpp:22:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::TetrahedralInfo&}; _Tp = OpenBabel::TetrahedralInfo; _Alloc = std::allocator<OpenBabel::TetrahedralInfo>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::TetrahedralInfo>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/math/align.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'std::vector<OpenBabel::vector3> OpenBabel::OBAlign::GetAlignment()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/distgeom.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/distgeom.cpp:22:
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBDistanceGeometry::Setup(const OpenBabel::OBMol&, bool)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::TetrahedralInfo*, std::vector<OpenBabel::TetrahedralInfo> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::TetrahedralInfo*, std::vector<OpenBabel::TetrahedralInfo> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::TetrahedralInfo*, std::vector<OpenBabel::TetrahedralInfo> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/bits/stl_vector.h: In function 'std::vector<OpenBabel::OBCisTransStereo*> OpenBabel::CisTransFrom2D(OpenBabel::OBMol*, const OBStereoUnitSet&, const std::map<OpenBabel::OBBond*, OpenBabel::OBStereo::BondDirection>*, bool)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/base.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/stereo.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetrahedral.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/stereo/perception.cpp:26:
/usr/include/c++/10/bits/stl_vector.h: In function 'std::vector<OpenBabel::OBTetrahedralStereo*> OpenBabel::TetrahedralFrom3D(OpenBabel::OBMol*, const OBStereoUnitSet&, bool)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 15%] Linking CXX shared library ../lib/arm-linux-gnueabihf/libopenbabel.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/openbabel.dir/link.txt --verbose=1
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_symlink_library ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 ../lib/arm-linux-gnueabihf/libopenbabel.so.7 ../lib/arm-linux-gnueabihf/libopenbabel.so
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[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/fingerprints/finger2.cpp
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/cansmidescriptor.cpp
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addfilename.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/addfilename.cpp
[ 15%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addinindex.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/addinindex.cpp
[ 15%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/cmpdfilter.cpp
[ 16%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addpolarh.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/addpolarh.cpp
[ 16%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/groupcontrib.cpp
[ 17%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/fingerprints/finger3.cpp
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/addnonpolarh.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/addnonpolarh.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/groupcontrib.cpp:25:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {std::pair<OpenBabel::OBSmartsPattern*, double>}; _Tp = std::pair<OpenBabel::OBSmartsPattern*, double>; _Alloc = std::allocator<std::pair<OpenBabel::OBSmartsPattern*, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<OpenBabel::OBSmartsPattern*, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {std::pair<OpenBabel::OBSmartsPattern*, double>}; _Tp = std::pair<OpenBabel::OBSmartsPattern*, double>; _Alloc = std::allocator<std::pair<OpenBabel::OBSmartsPattern*, double> >]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBSmartsPattern*, double>*, std::vector<std::pair<OpenBabel::OBSmartsPattern*, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationGaff&}; _Tp = OpenBabel::OBFFBondCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFBondCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFBondCalculationGaff>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationGaff&}; _Tp = OpenBabel::OBFFAngleCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFAngleCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFAngleCalculationGaff>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationGaff&}; _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFTorsionCalculationGaff>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationGaff>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationGaff*, std::vector<OpenBabel::OBFFTorsionCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 17%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/canonical.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/canonical.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationGaff&}; _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFOOPCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFOOPCalculationGaff>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFOOPCalculationGaff>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationGaff*, std::vector<OpenBabel::OBFFOOPCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationGaff&}; _Tp = OpenBabel::OBFFVDWCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFVDWCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFVDWCalculationGaff>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationGaff&}; _Tp = OpenBabel::OBFFElectrostaticCalculationGaff; _Alloc = std::allocator<OpenBabel::OBFFElectrostaticCalculationGaff>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFElectrostaticCalculationGaff>::iterator' changed in GCC 7.1
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/filters.cpp
[ 18%] Building CXX object src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_fingerprints_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -MF CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o.d -o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/fingerprints/fingerecfp.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OBForceFieldGaff::SetupCalculations()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationGaff*, std::vector<OpenBabel::OBFFBondCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationGaff*, std::vector<OpenBabel::OBFFBondCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationGaff*, std::vector<OpenBabel::OBFFAngleCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationGaff*, std::vector<OpenBabel::OBFFAngleCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationGaff*, std::vector<OpenBabel::OBFFTorsionCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationGaff*, std::vector<OpenBabel::OBFFOOPCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFVDWCalculationGaff*, std::vector<OpenBabel::OBFFVDWCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFElectrostaticCalculationGaff*, std::vector<OpenBabel::OBFFElectrostaticCalculationGaff> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldgaff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/changecell.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/changecell.cpp
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/inchidescriptor.cpp
[ 18%] Linking CXX shared module ../lib/arm-linux-gnueabihf/plugin_fingerprints.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_fingerprints.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../lib/arm-linux-gnueabihf/plugin_fingerprints.so CMakeFiles/plugin_fingerprints.dir/fingerprints/finger2.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/finger3.cpp.o CMakeFiles/plugin_fingerprints.dir/fingerprints/fingerecfp.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 18%] Built target plugin_fingerprints
make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/CMakeFiles/plugin_charges.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/CMakeFiles/plugin_charges.dir/build.make src/CMakeFiles/plugin_charges.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 18%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eem.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eem.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eem.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBForceFieldGaff::ParseParamFile()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 18%] Building CXX object src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_descriptors_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -MF CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o.d -o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/descriptors/smartsdescriptors.cpp
[ 18%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delpolarh.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/delpolarh.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eem.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::EEMParameter&}; _Tp = OpenBabel::EEMParameter; _Alloc = std::allocator<OpenBabel::EEMParameter>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::EEMParameter>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eem.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::EEMCharges::_loadParameters()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::EEMParameter*, std::vector<OpenBabel::EEMParameter> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/delnonpolarh.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/delnonpolarh.cpp
[ 19%] Linking CXX shared module ../lib/arm-linux-gnueabihf/plugin_descriptors.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_descriptors.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../lib/arm-linux-gnueabihf/plugin_descriptors.so CMakeFiles/plugin_descriptors.dir/descriptors/cansmidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/cmpdfilter.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/groupcontrib.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/filters.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/inchidescriptor.cpp.o CMakeFiles/plugin_descriptors.dir/descriptors/smartsdescriptors.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 19%] Built target plugin_descriptors
make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/smilesformat.dir/build.make src/formats/CMakeFiles/smilesformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 19%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/gasteiger.cpp
[ 19%] Building CXX object src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmilesformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/smilesformat.dir/smilesformat.cpp.o -MF CMakeFiles/smilesformat.dir/smilesformat.cpp.o.d -o CMakeFiles/smilesformat.dir/smilesformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp
[ 19%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp
[ 19%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen2D.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/gen2D.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/none.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/none.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/none.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/none.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/fillUC.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/fillUC.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/mmff94.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/op.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/fillUC.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationGhemical&}; _Tp = OpenBabel::OBFFBondCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFBondCalculationGhemical>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFBondCalculationGhemical>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFBondCalculationGhemical>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationGhemical&}; _Tp = OpenBabel::OBFFAngleCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFAngleCalculationGhemical>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFAngleCalculationGhemical>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OpFillUC::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/mmff94.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationGhemical&}; _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationGhemical>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFTorsionCalculationGhemical>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::MMFF94Charges::ComputeCharges(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFTorsionCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationGhemical>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationGhemical*, std::vector<OpenBabel::OBFFTorsionCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationGhemical&}; _Tp = OpenBabel::OBFFVDWCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFVDWCalculationGhemical>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFVDWCalculationGhemical>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationGhemical&}; _Tp = OpenBabel::OBFFElectrostaticCalculationGhemical; _Alloc = std::allocator<OpenBabel::OBFFElectrostaticCalculationGhemical>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical>::iterator' changed in GCC 7.1
[ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/fromfile.cpp
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/forcefield.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/forcefield.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OBForceFieldGhemical::SetupCalculations()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationGhemical*, std::vector<OpenBabel::OBFFBondCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationGhemical*, std::vector<OpenBabel::OBFFBondCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationGhemical*, std::vector<OpenBabel::OBFFAngleCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationGhemical*, std::vector<OpenBabel::OBFFAngleCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationGhemical*, std::vector<OpenBabel::OBFFTorsionCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFVDWCalculationGhemical*, std::vector<OpenBabel::OBFFVDWCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFElectrostaticCalculationGhemical*, std::vector<OpenBabel::OBFFElectrostaticCalculationGhemical> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldghemical.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp: In member function 'bool OpenBabel::OBMol2Cansmi::GetSmilesElement(OpenBabel::OBCanSmiNode*, std::vector<OpenBabel::OBAtom*>&, std::vector<unsigned int>&, std::string&)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp:2865:35: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
 2865 |           snprintf(tcount, 10, "%d", hcount);
      |                                   ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp:23:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 2 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp:2857:35: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
 2857 |           snprintf(tcount, 10, "%d", i);
      |                                   ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smilesformat.cpp:23:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 2 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBForceFieldGhemical::ParseParamFile()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/fromfile.cpp:21:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
[ 20%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/gen3d.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/gen3d.cpp
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/fromfile.cpp:21:
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual bool OpenBabel::FromFileCharges::ComputeCharges(OpenBabel::OBMol&, const char*)':
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
[ 20%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eqeq.cpp
[ 21%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/largest.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/largest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/largest.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/loader.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/loader.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/loader.cpp
[ 22%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/smilesformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smilesformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/smilesformat.so CMakeFiles/smilesformat.dir/smilesformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 22%] Built target smilesformat
[ 22%] Building CXX object src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_forcefields_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -MF CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o.d -o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/neutralize.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/neutralize.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp:31:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationMMFF94&}; _Tp = OpenBabel::OBFFBondCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFBondCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFBondCalculationMMFF94>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationMMFF94&}; _Tp = OpenBabel::OBFFAngleCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFAngleCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFAngleCalculationMMFF94>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFStrBndCalculationMMFF94&}; _Tp = OpenBabel::OBFFStrBndCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFStrBndCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFStrBndCalculationMMFF94>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationMMFF94&}; _Tp = OpenBabel::OBFFTorsionCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFTorsionCalculationMMFF94>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationMMFF94&}; _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFOOPCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFOOPCalculationMMFF94>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp:31:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBFFOOPCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFOOPCalculationMMFF94>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationMMFF94*, std::vector<OpenBabel::OBFFOOPCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp:31:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationMMFF94&}; _Tp = OpenBabel::OBFFVDWCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFVDWCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFVDWCalculationMMFF94>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationMMFF94&}; _Tp = OpenBabel::OBFFElectrostaticCalculationMMFF94; _Alloc = std::allocator<OpenBabel::OBFFElectrostaticCalculationMMFF94>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94>::iterator' changed in GCC 7.1
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opsplit.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opsplit.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp:31:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OBForceFieldMMFF94::SetupCalculations()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationMMFF94*, std::vector<OpenBabel::OBFFBondCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationMMFF94*, std::vector<OpenBabel::OBFFBondCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationMMFF94*, std::vector<OpenBabel::OBFFAngleCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFStrBndCalculationMMFF94*, std::vector<OpenBabel::OBFFStrBndCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationMMFF94*, std::vector<OpenBabel::OBFFTorsionCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationMMFF94*, std::vector<OpenBabel::OBFFOOPCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationMMFF94*, std::vector<OpenBabel::OBFFOOPCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationMMFF94*, std::vector<OpenBabel::OBFFOOPCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFVDWCalculationMMFF94*, std::vector<OpenBabel::OBFFVDWCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFElectrostaticCalculationMMFF94*, std::vector<OpenBabel::OBFFElectrostaticCalculationMMFF94> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefieldmmff94.cpp:31:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamPbci(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamCharge(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFBondCalculationUFF&}; _Tp = OpenBabel::OBFFBondCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFBondCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFBondCalculationUFF>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFVDWCalculationUFF&}; _Tp = OpenBabel::OBFFVDWCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFVDWCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFVDWCalculationUFF>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamBndk(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFAngleCalculationUFF&}; _Tp = OpenBabel::OBFFAngleCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFAngleCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFAngleCalculationUFF>::iterator' changed in GCC 7.1
[ 22%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/optransform.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/optransform.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFTorsionCalculationUFF&}; _Tp = OpenBabel::OBFFTorsionCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFTorsionCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFTorsionCalculationUFF>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamOOP(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFOOPCalculationUFF&}; _Tp = OpenBabel::OBFFOOPCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFOOPCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFOOPCalculationUFF>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamDfsb(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamBond(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamAngle(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OBForceFieldUFF::SetupCalculations()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFBondCalculationUFF*, std::vector<OpenBabel::OBFFBondCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFVDWCalculationUFF*, std::vector<OpenBabel::OBFFVDWCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFAngleCalculationUFF*, std::vector<OpenBabel::OBFFAngleCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFTorsionCalculationUFF*, std::vector<OpenBabel::OBFFTorsionCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationUFF*, std::vector<OpenBabel::OBFFOOPCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationUFF*, std::vector<OpenBabel::OBFFOOPCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFOOPCalculationUFF*, std::vector<OpenBabel::OBFFOOPCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFVDWCalculationUFF*, std::vector<OpenBabel::OBFFVDWCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamStrBnd(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamVDW(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBForceFieldMMFF94::ParseParamTorsion(std::string&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eqeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/eqeq.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBFFElectrostaticCalculationUFF&}; _Tp = OpenBabel::OBFFElectrostaticCalculationUFF; _Alloc = std::allocator<OpenBabel::OBFFElectrostaticCalculationUFF>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBFFElectrostaticCalculationUFF>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::OBForceFieldUFF::SetupElectrostatics()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBFFElectrostaticCalculationUFF*, std::vector<OpenBabel::OBFFElectrostaticCalculationUFF> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/forcefields/forcefielduff.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 23%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/partialcharges.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/partialcharges.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBForceFieldMMFF94::Validate()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::EQEqCharges::ComputeCharges(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBForceFieldUFF::ParseParamFile()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 23%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/readconformers.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/readconformers.cpp
make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/depend
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mdlformat.dir/build.make src/formats/CMakeFiles/mdlformat.dir/build
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[ 24%] Building CXX object src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mdlformat.dir/mdlformat.cpp.o -MF CMakeFiles/mdlformat.dir/mdlformat.cpp.o.d -o CMakeFiles/mdlformat.dir/mdlformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdlformat.cpp
[ 24%] Linking CXX shared module ../lib/arm-linux-gnueabihf/plugin_forcefields.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_forcefields.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../lib/arm-linux-gnueabihf/plugin_forcefields.so CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldgaff.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldghemical.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefieldmmff94.cpp.o CMakeFiles/plugin_forcefields.dir/forcefields/forcefielduff.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 24%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 24%] Built target plugin_forcefields
make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mol2format.dir/build.make src/formats/CMakeFiles/mol2format.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 24%] Building CXX object src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmol2format_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mol2format.dir/mol2format.cpp.o -MF CMakeFiles/mol2format.dir/mol2format.cpp.o.d -o CMakeFiles/mol2format.dir/mol2format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mol2format.cpp
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/sort.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/sort.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/op.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:19:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {std::pair<OpenBabel::OBBase*, double>}; _Tp = std::pair<OpenBabel::OBBase*, double>; _Alloc = std::allocator<std::pair<OpenBabel::OBBase*, double> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<std::pair<OpenBabel::OBBase*, double> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/deferred.h:5,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:24:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__move_median_to_first(_Iterator, _Iterator, _Iterator, _Iterator, _Compare) [with _Iterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
   79 |     __move_median_to_first(_Iterator __result,_Iterator __a, _Iterator __b,
      |     ^~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:79:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__unguarded_linear_insert(_RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Compare = __gnu_cxx::__ops::_Val_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_algo.h:1824:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1824 |     __unguarded_linear_insert(_RandomAccessIterator __last,
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mol2format.cpp: In member function 'virtual bool OpenBabel::MOL2Format::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mol2format.cpp:720:40: warning: '%-6s' directive output may be truncated writing between 6 and 32767 bytes into a region of size between 32756 and 32760 [-Wformat-truncation=]
  720 |         snprintf(buffer,BUFF_SIZE,"%7d %-6s   %9.4f %9.4f %9.4f %-5s %3s  %-8s %9.4f",
      |                                        ^~~~
  721 |                  atom->GetIdx(),label,
      |                                 ~~~~~   
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mol2format.cpp:17:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output 77 or more bytes (assuming 32838) into a destination of size 32768
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/deferred.h:5,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:24:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Distance = int; _Tp = std::pair<OpenBabel::OBBase*, double>; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/deferred.h:5,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:24:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__heap_select(_RandomAccessIterator, _RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1667 |     __heap_select(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1667:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_comp_iter<OpenBabel::Order<double> >]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1929 |       std::__move_median_to_first(__first, __first + 1, __mid, __last - 1,
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1930 |       __comp);
      |       ~~~~~~~                     
/usr/include/c++/10/bits/stl_algo.h:1929:34: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1942:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1942 |       std::__heap_select(__first, __middle, __last, __comp);
      |       ~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/op.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:19:
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OpSort::ProcessVec(std::vector<OpenBabel::OBBase*>&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/deferred.h:5,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/sort.cpp:24:
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<std::pair<OpenBabel::OBBase*, double>*, std::vector<std::pair<OpenBabel::OBBase*, double> > >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opisomorph.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opisomorph.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdlformat.cpp: In member function 'std::string OpenBabel::MDLFormat::GetTimeDate()':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdlformat.cpp:1709:27: warning: '%02d' directive output may be truncated writing between 2 and 11 bytes into a region of size between 0 and 9 [-Wformat-truncation=]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                           ^~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdlformat.cpp:1709:22: note: directive argument in the range [-2147483648, 2147483547]
 1709 |     snprintf(td, 11, "%02d%02d%02d%02d%02d", ts->tm_mon+1, ts->tm_mday,
      |                      ^~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/iomanip:40,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdlformat.cpp:27:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 11 and 56 bytes into a destination of size 11
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
[ 24%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mol2format.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mol2format.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mol2format.so CMakeFiles/mol2format.dir/mol2format.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 24%] Built target mol2format
make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pdbformat.dir/build.make src/formats/CMakeFiles/pdbformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 24%] Building CXX object src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pdbformat.dir/pdbformat.cpp.o -MF CMakeFiles/pdbformat.dir/pdbformat.cpp.o.d -o CMakeFiles/pdbformat.dir/pdbformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp
[ 24%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/ophighlight.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/ophighlight.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp: In member function 'virtual bool OpenBabel::PDBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:684:58: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  684 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:17:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:702:70: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  702 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                      ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:17:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:739:35: warning: '%+d' directive output may be truncated writing between 2 and 6 bytes into a region of size 3 [-Wformat-truncation=]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                   ^~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:739:34: note: directive argument in the range [-32768, 32767]
  739 |             snprintf(scharge, 3, "%+d", charge);
      |                                  ^~~~~
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbformat.cpp:17:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 3 and 7 bytes into a destination of size 3
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
[ 25%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/xout.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/xout.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/xout.cpp
[ 25%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mdlformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mdlformat.so CMakeFiles/mdlformat.dir/mdlformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 26%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pdbformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pdbformat.so CMakeFiles/pdbformat.dir/pdbformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 26%] Built target mdlformat
make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/inchiformat.dir/build.make src/formats/CMakeFiles/inchiformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/inchiformat.dir/inchiformat.cpp.o -MF CMakeFiles/inchiformat.dir/inchiformat.cpp.o.d -o CMakeFiles/inchiformat.dir/inchiformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/inchiformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 26%] Built target pdbformat
[ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/inchiformat.dir/getinchi.cpp.o -MF CMakeFiles/inchiformat.dir/getinchi.cpp.o.d -o CMakeFiles/inchiformat.dir/getinchi.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/getinchi.cpp
[ 26%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/conformer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/conformer.cpp
[ 26%] Building CXX object src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dinchiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -MF CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o.d -o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/unique.cpp
make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/asciiformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/asciiformat.dir/build.make src/formats/CMakeFiles/asciiformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 27%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/asciiformat.dir/asciiformat.cpp.o -MF CMakeFiles/asciiformat.dir/asciiformat.cpp.o.d -o CMakeFiles/asciiformat.dir/asciiformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/asciiformat.cpp
[ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opalign.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opalign.cpp
[ 27%] Building CXX object src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dasciiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -MF CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o.d -o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/asciipainter.cpp
[ 27%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/inchiformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/inchiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/inchiformat.so CMakeFiles/inchiformat.dir/inchiformat.cpp.o CMakeFiles/inchiformat.dir/getinchi.cpp.o CMakeFiles/inchiformat.dir/__/ops/unique.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 27%] Built target inchiformat
make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/copyformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/copyformat.dir/build.make src/formats/CMakeFiles/copyformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 27%] Building CXX object src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcopyformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/copyformat.dir/copyformat.cpp.o -MF CMakeFiles/copyformat.dir/copyformat.cpp.o.d -o CMakeFiles/copyformat.dir/copyformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/copyformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/op.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opalign.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 27%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/asciiformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/asciiformat.dir/link.txt --verbose=1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/op.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opalign.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OpAlign::Do(OpenBabel::OBBase*, const char*, OpenBabel::OBOp::OpMap*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/asciiformat.so CMakeFiles/asciiformat.dir/asciiformat.cpp.o CMakeFiles/asciiformat.dir/__/depict/asciipainter.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 27%] Built target asciiformat
make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/MNAformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/MNAformat.dir/build.make src/formats/CMakeFiles/MNAformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const Eigen::Matrix<double, 3, 1, 0, 3, 1>&}; _Tp = Eigen::Matrix<double, 3, 1>; _Alloc = std::allocator<Eigen::Matrix<double, 3, 1> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<Eigen::Matrix<double, 3, 1> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 27%] Building CXX object src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMNAformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/MNAformat.dir/MNAformat.cpp.o -MF CMakeFiles/MNAformat.dir/MNAformat.cpp.o.d -o CMakeFiles/MNAformat.dir/MNAformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/MNAformat.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::QEqCharges::ParseParamFile()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<Eigen::Matrix<double, 3, 1>*, std::vector<Eigen::Matrix<double, 3, 1> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
[ 27%] Building CXX object src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_ops_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -MF CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o.d -o CMakeFiles/plugin_ops.dir/ops/opconfab.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/ops/opconfab.cpp
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/copyformat.so CMakeFiles/copyformat.dir/copyformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolreport_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/molreport.dir/molreport.cpp.o -MF CMakeFiles/molreport.dir/molreport.cpp.o.d -o CMakeFiles/molreport.dir/molreport.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/molreport.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molreport.dir/link.txt --verbose=1
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnulformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/nulformat.dir/nulformat.cpp.o -MF CMakeFiles/nulformat.dir/nulformat.cpp.o.d -o CMakeFiles/nulformat.dir/nulformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nulformat.cpp
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/MNAformat.so CMakeFiles/MNAformat.dir/MNAformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpainterformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -MF CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o.d -o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/commandpainter.cpp
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/nulformat.so CMakeFiles/nulformat.dir/nulformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 29%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/painterformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/painterformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/painterformat.so CMakeFiles/painterformat.dir/painterformat.cpp.o CMakeFiles/painterformat.dir/__/depict/commandpainter.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 29%] Built target painterformat
[ 30%] Building CXX object src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dplugin_charges_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -MF CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o.d -o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp
[ 30%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/reportformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/reportformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/reportformat.so CMakeFiles/reportformat.dir/reportformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 30%] Built target reportformat
make  -f src/formats/CMakeFiles/svgformat.dir/build.make src/formats/CMakeFiles/svgformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 30%] Building CXX object src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsvgformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/svgformat.dir/svgformat.cpp.o -MF CMakeFiles/svgformat.dir/svgformat.cpp.o.d -o CMakeFiles/svgformat.dir/svgformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/svgformat.cpp
[ 31%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/povrayformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/povrayformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/povrayformat.so CMakeFiles/povrayformat.dir/povrayformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 31%] Built target povrayformat
make  -f src/formats/CMakeFiles/textformat.dir/build.make src/formats/CMakeFiles/textformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 31%] Building CXX object src/formats/CMakeFiles/textformat.dir/textformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtextformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/textformat.dir/textformat.cpp.o -MF CMakeFiles/textformat.dir/textformat.cpp.o.d -o CMakeFiles/textformat.dir/textformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/textformat.cpp
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::QEqCharges::ComputeCharges(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qeq.cpp:21:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 32%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/textformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/textformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/textformat.so CMakeFiles/textformat.dir/textformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 32%] Built target textformat
make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/titleformat.dir/build.make src/formats/CMakeFiles/titleformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 33%] Building CXX object src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtitleformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/titleformat.dir/titleformat.cpp.o -MF CMakeFiles/titleformat.dir/titleformat.cpp.o.d -o CMakeFiles/titleformat.dir/titleformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/titleformat.cpp
[ 33%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/svgformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/svgformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/svgformat.so CMakeFiles/svgformat.dir/svgformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 33%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/titleformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/titleformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/titleformat.so CMakeFiles/titleformat.dir/titleformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 33%] Built target svgformat
make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake --color=
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[ 34%] Building CXX object src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dconfabreport_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/confabreport.dir/confabreport.cpp.o -MF CMakeFiles/confabreport.dir/confabreport.cpp.o.d -o CMakeFiles/confabreport.dir/confabreport.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/confabreport.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpngformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pngformat.dir/pngformat.cpp.o -MF CMakeFiles/pngformat.dir/pngformat.cpp.o.d -o CMakeFiles/pngformat.dir/pngformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pngformat.cpp
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make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Building CXX object src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacesformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/acesformat.dir/acesformat.cpp.o -MF CMakeFiles/acesformat.dir/acesformat.cpp.o.d -o CMakeFiles/acesformat.dir/acesformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/acesformat.cpp
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pngformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pngformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pngformat.so CMakeFiles/pngformat.dir/pngformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Built target pngformat
make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/abinitformat.dir/build.make src/formats/CMakeFiles/abinitformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Building CXX object src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dabinitformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/abinitformat.dir/abinitformat.cpp.o -MF CMakeFiles/abinitformat.dir/abinitformat.cpp.o.d -o CMakeFiles/abinitformat.dir/abinitformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/abinitformat.cpp
In file included from /usr/include/c++/10/bits/stl_algo.h:61,
                 from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/confabreport.cpp:35:
/usr/include/c++/10/bits/stl_heap.h: In function 'void std::__adjust_heap(_RandomAccessIterator, _Distance, _Distance, _Tp, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<double*, std::vector<double> >; _Distance = int; _Tp = double; _Compare = __gnu_cxx::__ops::_Iter_less_iter]':
/usr/include/c++/10/bits/stl_heap.h:223:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  223 |     __adjust_heap(_RandomAccessIterator __first, _Distance __holeIndex,
      |     ^~~~~~~~~~~~~
In file included from /usr/include/c++/10/algorithm:62,
                 from /usr/include/eigen3/Eigen/Core:95,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/align.h:26,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/confabreport.cpp:35:
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__insertion_sort(_RandomAccessIterator, _RandomAccessIterator, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<double*, std::vector<double> >; _Compare = __gnu_cxx::__ops::_Iter_less_iter]':
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1844 |     __insertion_sort(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1844:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h: In function 'void std::__introsort_loop(_RandomAccessIterator, _RandomAccessIterator, _Size, _Compare) [with _RandomAccessIterator = __gnu_cxx::__normal_iterator<double*, std::vector<double> >; _Size = int; _Compare = __gnu_cxx::__ops::_Iter_less_iter]':
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1950 |     __introsort_loop(_RandomAccessIterator __first,
      |     ^~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1950:5: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_algo.h:1964:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1964 |    std::__introsort_loop(__cut, __last, __depth_limit, __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h: In member function 'void OpenBabel::ConfabReport::WriteOutput(std::ostream&)':
/usr/include/c++/10/bits/stl_algo.h:1979:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1979 |    std::__introsort_loop(__first, __last,
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~
 1980 |     std::__lg(__last - __first) * 2,
      |     ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
 1981 |     __comp);
      |     ~~~~~~~              
/usr/include/c++/10/bits/stl_algo.h:1891:25: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1891 |    std::__insertion_sort(__first, __first + int(_S_threshold), __comp);
      |    ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_algo.h:1896:23: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1896 |  std::__insertion_sort(__first, __last, __comp);
      |  ~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/confabreport.cpp:34:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::ConfabReport::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/confabreport.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/confabreport.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/confabreport.so CMakeFiles/confabreport.dir/confabreport.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/acesformat.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 34%] Built target confabreport
make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Building CXX object src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dadfformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/adfformat.dir/adfformat.cpp.o -MF CMakeFiles/adfformat.dir/adfformat.cpp.o.d -o CMakeFiles/adfformat.dir/adfformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/adfformat.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::AcesOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/abinitformat.cpp:16:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/acesformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acesformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/acesformat.so CMakeFiles/acesformat.dir/acesformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Built target acesformat
make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/build
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[ 34%] Building CXX object src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Daoforceformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -MF CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o.d -o CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/aoforceformat.cpp
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/abinitformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/abinitformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/abinitformat.so CMakeFiles/abinitformat.dir/abinitformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Built target abinitformat
make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Building CXX object src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcastepformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/castepformat.dir/castepformat.cpp.o -MF CMakeFiles/castepformat.dir/castepformat.cpp.o.d -o CMakeFiles/castepformat.dir/castepformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/castepformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/aoforceformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::AoforceFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/castepformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/castepformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/castepformat.so CMakeFiles/castepformat.dir/castepformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Built target castepformat
make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/crystal09format.dir/build.make src/formats/CMakeFiles/crystal09format.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Building CXX object src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrystal09format_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/crystal09format.dir/crystal09format.cpp.o -MF CMakeFiles/crystal09format.dir/crystal09format.cpp.o.d -o CMakeFiles/crystal09format.dir/crystal09format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/crystal09format.cpp
[ 34%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/aoforceformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/aoforceformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/aoforceformat.so CMakeFiles/aoforceformat.dir/aoforceformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/adfformat.cpp:31:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 34%] Built target aoforceformat
make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::ADFDftbFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Building CXX object src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddaltonformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/daltonformat.dir/daltonformat.cpp.o -MF CMakeFiles/daltonformat.dir/daltonformat.cpp.o.d -o CMakeFiles/daltonformat.dir/daltonformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/daltonformat.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::ADFBandFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::OBT41Format::AtomData}; _Tp = OpenBabel::OBT41Format::AtomData; _Alloc = std::allocator<OpenBabel::OBT41Format::AtomData>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBT41Format::AtomData>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::OBT41Format::ReadASCII(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBT41Format::AtomData*, std::vector<OpenBabel::OBT41Format::AtomData> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 35%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/adfformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/adfformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/adfformat.so CMakeFiles/adfformat.dir/adfformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Built target adfformat
make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Building CXX object src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddmolformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/dmolformat.dir/dmolformat.cpp.o -MF CMakeFiles/dmolformat.dir/dmolformat.cpp.o.d -o CMakeFiles/dmolformat.dir/dmolformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/dmolformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/crystal09format.cpp:18:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 35%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/daltonformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/daltonformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/daltonformat.so CMakeFiles/daltonformat.dir/daltonformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/crystal09format.cpp:18:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::Crystal09Format::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/crystal09format.cpp:18:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Built target daltonformat
make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Building CXX object src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfchkformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fchkformat.dir/fchkformat.cpp.o -MF CMakeFiles/fchkformat.dir/fchkformat.cpp.o.d -o CMakeFiles/fchkformat.dir/fchkformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fchkformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const Eigen::Matrix<double, 3, 1, 0, 3, 1>&}; _Tp = Eigen::Matrix<double, 3, 1>; _Alloc = std::allocator<Eigen::Matrix<double, 3, 1> >]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<Eigen::Matrix<double, 3, 1> >::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::QTPIECharges::ParseParamFile()':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<Eigen::Matrix<double, 3, 1>*, std::vector<Eigen::Matrix<double, 3, 1> > >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp:21:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
[ 35%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/crystal09format.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crystal09format.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/crystal09format.so CMakeFiles/crystal09format.dir/crystal09format.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Built target crystal09format
make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 35%] Building CXX object src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhiaimsformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -MF CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o.d -o CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fhiaimsformat.cpp
[ 36%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/dmolformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dmolformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/dmolformat.so CMakeFiles/dmolformat.dir/dmolformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Built target dmolformat
make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Building CXX object src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gamessformat.dir/gamessformat.cpp.o -MF CMakeFiles/gamessformat.dir/gamessformat.cpp.o.d -o CMakeFiles/gamessformat.dir/gamessformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fhiaimsformat.cpp:15:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fchkformat.cpp:23:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::FHIaimsFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fchkformat.cpp:23:
/usr/include/c++/10/bits/stl_vector.h: In static member function 'static bool OpenBabel::FCHKFormat::read_numbers(const char*, std::vector<_Tp>&, unsigned int) [with T = double]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 36%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fhiaimsformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhiaimsformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fhiaimsformat.so CMakeFiles/fhiaimsformat.dir/fhiaimsformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Built target fhiaimsformat
make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Building CXX object src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgaussformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gaussformat.dir/gaussformat.cpp.o -MF CMakeFiles/gaussformat.dir/gaussformat.cpp.o.d -o CMakeFiles/gaussformat.dir/gaussformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp
[ 36%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fchkformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fchkformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fchkformat.so CMakeFiles/fchkformat.dir/fchkformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Built target fchkformat
make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 37%] Building CXX object src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausscubeformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -MF CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o.d -o CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausscubeformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessformat.cpp:19:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessformat.cpp:19:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::GAMESSOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessformat.cpp:19:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausscubeformat.cpp:29:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp:21:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::QTPIECharges::ComputeCharges(OpenBabel::OBMol&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/dlhandler.h:25,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:23,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/chargemodel.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/charges/qtpie.cpp:21:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::GaussianOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gaussformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBGaussianCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausscubeformat.cpp:29:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 37%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gamessformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gamessformat.so CMakeFiles/gamessformat.dir/gamessformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 37%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gausscubeformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausscubeformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gausscubeformat.so CMakeFiles/gausscubeformat.dir/gausscubeformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 37%] Built target gamessformat
make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgausszmatformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -MF CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o.d -o CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausszmatformat.cpp
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make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 37%] Building CXX object src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgulpformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gulpformat.dir/gulpformat.cpp.o -MF CMakeFiles/gulpformat.dir/gulpformat.cpp.o.d -o CMakeFiles/gulpformat.dir/gulpformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gulpformat.cpp
[ 37%] Linking CXX shared module ../lib/arm-linux-gnueabihf/plugin_charges.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src && /usr/bin/cmake -E cmake_link_script CMakeFiles/plugin_charges.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../lib/arm-linux-gnueabihf/plugin_charges.so CMakeFiles/plugin_charges.dir/charges/eem.cpp.o CMakeFiles/plugin_charges.dir/charges/gasteiger.cpp.o CMakeFiles/plugin_charges.dir/charges/none.cpp.o CMakeFiles/plugin_charges.dir/charges/mmff94.cpp.o CMakeFiles/plugin_charges.dir/charges/fromfile.cpp.o CMakeFiles/plugin_charges.dir/charges/eqeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qeq.cpp.o CMakeFiles/plugin_charges.dir/charges/qtpie.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 37%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gaussformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gaussformat.dir/link.txt --verbose=1
[ 37%] Building CXX object src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dhinformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/hinformat.dir/hinformat.cpp.o -MF CMakeFiles/hinformat.dir/hinformat.cpp.o.d -o CMakeFiles/hinformat.dir/hinformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/hinformat.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gaussformat.so CMakeFiles/gaussformat.dir/gaussformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 37%] Built target gaussformat
make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 38%] Building CXX object src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Djaguarformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -MF CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o.d -o CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/jaguarformat.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausszmatformat.cpp:16:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gausszmatformat.cpp:16:
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual bool OpenBabel::GaussianZMatrixInputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
/usr/include/c++/10/bits/stl_map.h:520:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  520 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  521 |      std::forward_as_tuple(std::move(__k)),
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  522 |      std::tuple<>());
      |      ~~~~~~~~~~~~~~~                 
[ 38%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gulpformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gulpformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gulpformat.so CMakeFiles/gulpformat.dir/gulpformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 38%] Built target gulpformat
make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 39%] Building CXX object src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmolproformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/molproformat.dir/molproformat.cpp.o -MF CMakeFiles/molproformat.dir/molproformat.cpp.o.d -o CMakeFiles/molproformat.dir/molproformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/molproformat.cpp
[ 40%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/hinformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/hinformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/hinformat.so CMakeFiles/hinformat.dir/hinformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 41%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gausszmatformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gausszmatformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gausszmatformat.so CMakeFiles/gausszmatformat.dir/gausszmatformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Built target hinformat
make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Building CXX object src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmopacformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mopacformat.dir/mopacformat.cpp.o -MF CMakeFiles/mopacformat.dir/mopacformat.cpp.o.d -o CMakeFiles/mopacformat.dir/mopacformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mopacformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Built target gausszmatformat
make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Building CXX object src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dnwchemformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -MF CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o.d -o CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp
[ 41%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/jaguarformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/jaguarformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/jaguarformat.so CMakeFiles/jaguarformat.dir/jaguarformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Built target jaguarformat
make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Building CXX object src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpwscfformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -MF CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o.d -o CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pwscfformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/molproformat.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::MolproOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/molproformat.cpp:20:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 41%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/molproformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/molproformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/molproformat.so CMakeFiles/molproformat.dir/molproformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 41%] Built target molproformat
make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 42%] Building CXX object src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dqchemformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/qchemformat.dir/qchemformat.cpp.o -MF CMakeFiles/qchemformat.dir/qchemformat.cpp.o.d -o CMakeFiles/qchemformat.dir/qchemformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/qchemformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mopacformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::NWChemOutputFormat::ReadZTSCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 42%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pwscfformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pwscfformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pwscfformat.so CMakeFiles/pwscfformat.dir/pwscfformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 42%] Built target pwscfformat
make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadPartialCharges(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 42%] Building CXX object src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsiestaformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/siestaformat.dir/siestaformat.cpp.o -MF CMakeFiles/siestaformat.dir/siestaformat.cpp.o.d -o CMakeFiles/siestaformat.dir/siestaformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/siestaformat.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadMEPCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::MOPACFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadTDDFTCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadNEBCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator<OpenBabel::OBOrbital>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBOrbital>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::NWChemOutputFormat::ReadOrbitals(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadFrequencyCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/nwchemformat.cpp:17:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 43%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mopacformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mopacformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mopacformat.so CMakeFiles/mopacformat.dir/mopacformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/qchemformat.cpp:18:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 43%] Built target mopacformat
make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 43%] Building CXX object src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dturbomoleformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -MF CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o.d -o CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/turbomoleformat.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'void OpenBabel::NWChemOutputFormat::ReadGeometryOptimizationCalculation(std::istream*, OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::QChemOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 43%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/nwchemformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/nwchemformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/nwchemformat.so CMakeFiles/nwchemformat.dir/nwchemformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
[ 43%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/qchemformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/qchemformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/qchemformat.so CMakeFiles/qchemformat.dir/qchemformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 43%] Building CXX object src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dvaspformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/vaspformat.dir/vaspformat.cpp.o -MF CMakeFiles/vaspformat.dir/vaspformat.cpp.o.d -o CMakeFiles/vaspformat.dir/vaspformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/vaspformat.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
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[ 43%] Building CXX object src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxsfformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/xsfformat.dir/xsfformat.cpp.o -MF CMakeFiles/xsfformat.dir/xsfformat.cpp.o.d -o CMakeFiles/xsfformat.dir/xsfformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xsfformat.cpp
[ 43%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/turbomoleformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/turbomoleformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/turbomoleformat.so CMakeFiles/turbomoleformat.dir/turbomoleformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
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[ 43%] Building CXX object src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dzindoformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/zindoformat.dir/zindoformat.cpp.o -MF CMakeFiles/zindoformat.dir/zindoformat.cpp.o.d -o CMakeFiles/zindoformat.dir/zindoformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/zindoformat.cpp
[ 44%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/siestaformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/siestaformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/siestaformat.so CMakeFiles/siestaformat.dir/siestaformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 44%] Built target siestaformat
make  -f src/formats/CMakeFiles/maeformat.dir/build.make src/formats/CMakeFiles/maeformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/maeformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 44%] Building CXX object src/formats/CMakeFiles/maeformat.dir/maeformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmaeformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/maeformat.dir/maeformat.cpp.o -MF CMakeFiles/maeformat.dir/maeformat.cpp.o.d -o CMakeFiles/maeformat.dir/maeformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/maeformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xsfformat.cpp:16:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 44%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/xsfformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xsfformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/xsfformat.so CMakeFiles/xsfformat.dir/xsfformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 45%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/zindoformat.so
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make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/zindoformat.so CMakeFiles/zindoformat.dir/zindoformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 45%] Built target xsfformat
make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 45%] Building CXX object src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgamessukformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -MF CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o.d -o CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 45%] Built target zindoformat
make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Building CXX object src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dorcaformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/orcaformat.dir/orcaformat.cpp.o -MF CMakeFiles/orcaformat.dir/orcaformat.cpp.o.d -o CMakeFiles/orcaformat.dir/orcaformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/orcaformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/vaspformat.cpp:16:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::matrix3x3&}; _Tp = OpenBabel::matrix3x3; _Alloc = std::allocator<OpenBabel::matrix3x3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::matrix3x3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::VASPFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/vaspformat.cpp:16:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::matrix3x3*, std::vector<OpenBabel::matrix3x3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/vaspformat.cpp:16:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/orcaformat.cpp:18:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBOrbital&}; _Tp = OpenBabel::OBOrbital; _Alloc = std::allocator<OpenBabel::OBOrbital>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBOrbital>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OrcaOutputFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/orcaformat.cpp:18:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBOrbital*, std::vector<OpenBabel::OBOrbital> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
[ 46%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/vaspformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/vaspformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/vaspformat.so CMakeFiles/vaspformat.dir/vaspformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesHessian(OpenBabel::OBMol&, std::istream&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Built target vaspformat
make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Building CXX object src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DAPIInterface_EXPORTS -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/APIInterface.dir/APIInterface.cpp.o -MF CMakeFiles/APIInterface.dir/APIInterface.cpp.o.d -o CMakeFiles/APIInterface.dir/APIInterface.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/APIInterface.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::GAMESSUKOutputFormat::ReadNormalModesForce(OpenBabel::OBMol&, std::istream&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gamessukformat.cpp:14:
/usr/include/c++/10/bits/stl_map.h: In member function 'bool OpenBabel::GAMESSUKFormat::ReadVariables(std::istream&, double, std::string)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h: In member function 'bool OpenBabel::GAMESSUKFormat::ReadLineCartesian(OpenBabel::OBAtom*, std::vector<std::__cxx11::basic_string<char> >&, double)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
[ 46%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/APIInterface.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/APIInterface.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/APIInterface.so CMakeFiles/APIInterface.dir/APIInterface.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
/usr/include/c++/10/bits/stl_map.h: In member function 'bool OpenBabel::GAMESSUKFormat::ReadLineZmatrix(OpenBabel::OBMol&, OpenBabel::OBAtom*, std::vector<std::__cxx11::basic_string<char> >&, double, int*)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Built target APIInterface
make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
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[ 46%] Building CXX object src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DCSRformat_EXPORTS -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/CSRformat.dir/CSRformat.cpp.o -MF CMakeFiles/CSRformat.dir/CSRformat.cpp.o.d -o CMakeFiles/CSRformat.dir/CSRformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/CSRformat.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/maeformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/maeformat.so CMakeFiles/maeformat.dir/maeformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/orcaformat.so CMakeFiles/orcaformat.dir/orcaformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Building CXX object src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DPQSformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/PQSformat.dir/PQSformat.cpp.o -MF CMakeFiles/PQSformat.dir/PQSformat.cpp.o.d -o CMakeFiles/PQSformat.dir/PQSformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/PQSformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Built target orcaformat
make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 47%] Building CXX object src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DMCDLformat_EXPORTS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -MF CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o.d -o CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/MCDLformat.cpp
In file included from /usr/include/string.h:519,
                 from /usr/include/c++/10/cstring:42,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/plugin.h:29,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/format.h:22,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:37,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/CSRformat.cpp:17:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'char* OpenBabel::CSRFormat::PadString(char*, int)' at /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/CSRformat.cpp:192:12:
/usr/include/arm-linux-gnueabihf/bits/string_fortified.h:95:34: warning: 'char* __builtin_strncpy(char*, const char*, unsigned int)' specified bound depends on the length of the source argument [-Wstringop-overflow=]
   95 |   return __builtin___strncpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   96 |       __glibc_objsize (__dest));
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~   
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/CSRformat.cpp: In member function 'char* OpenBabel::CSRFormat::PadString(char*, int)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/CSRformat.cpp:192:12: note: length computed here
  192 |     strncpy(output, input, strlen(input));
      |     ~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 47%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gamessukformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gamessukformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gamessukformat.so CMakeFiles/gamessukformat.dir/gamessukformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 47%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/CSRformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/CSRformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/CSRformat.so CMakeFiles/CSRformat.dir/CSRformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 47%] Built target gamessukformat
make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 47%] Building CXX object src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dalchemyformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -MF CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o.d -o CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/alchemyformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 47%] Built target CSRformat
make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 48%] Building CXX object src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dacrformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/acrformat.dir/acrformat.cpp.o -MF CMakeFiles/acrformat.dir/acrformat.cpp.o.d -o CMakeFiles/acrformat.dir/acrformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/acrformat.cpp
[ 49%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/PQSformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/PQSformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/PQSformat.so CMakeFiles/PQSformat.dir/PQSformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 49%] Built target PQSformat
make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 49%] Building CXX object src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Damberformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/amberformat.dir/amberformat.cpp.o -MF CMakeFiles/amberformat.dir/amberformat.cpp.o.d -o CMakeFiles/amberformat.dir/amberformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/amberformat.cpp
[ 50%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/alchemyformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/alchemyformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/alchemyformat.so CMakeFiles/alchemyformat.dir/alchemyformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 50%] Built target alchemyformat
make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 50%] Building CXX object src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbalstformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/balstformat.dir/balstformat.cpp.o -MF CMakeFiles/balstformat.dir/balstformat.cpp.o.d -o CMakeFiles/balstformat.dir/balstformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/balstformat.cpp
[ 50%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/acrformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/acrformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/acrformat.so CMakeFiles/acrformat.dir/acrformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 50%] Built target acrformat
make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 51%] Building CXX object src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbgfformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/bgfformat.dir/bgfformat.cpp.o -MF CMakeFiles/bgfformat.dir/bgfformat.cpp.o.d -o CMakeFiles/bgfformat.dir/bgfformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/bgfformat.cpp
[ 51%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/amberformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/amberformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/amberformat.so CMakeFiles/amberformat.dir/amberformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 51%] Built target amberformat
make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 51%] Building CXX object src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dboxformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/boxformat.dir/boxformat.cpp.o -MF CMakeFiles/boxformat.dir/boxformat.cpp.o.d -o CMakeFiles/boxformat.dir/boxformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/boxformat.cpp
[ 51%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/balstformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/balstformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/balstformat.so CMakeFiles/balstformat.dir/balstformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Building CXX object src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacaoformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -MF CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o.d -o CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cacaoformat.cpp
[ 52%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/boxformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/boxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/boxformat.so CMakeFiles/boxformat.dir/boxformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
[ 52%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/bgfformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/bgfformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/bgfformat.so CMakeFiles/bgfformat.dir/bgfformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 52%] Building CXX object src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcacheformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cacheformat.dir/cacheformat.cpp.o -MF CMakeFiles/cacheformat.dir/cacheformat.cpp.o.d -o CMakeFiles/cacheformat.dir/cacheformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cacheformat.cpp
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[ 52%] Built target bgfformat
make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Building CXX object src/formats/CMakeFiles/carformat.dir/carformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcarformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/carformat.dir/carformat.cpp.o -MF CMakeFiles/carformat.dir/carformat.cpp.o.d -o CMakeFiles/carformat.dir/carformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/carformat.cpp
[ 52%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cacaoformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacaoformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cacaoformat.so CMakeFiles/cacaoformat.dir/cacaoformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Built target cacaoformat
make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color=
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make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Building CXX object src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcccformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cccformat.dir/cccformat.cpp.o -MF CMakeFiles/cccformat.dir/cccformat.cpp.o.d -o CMakeFiles/cccformat.dir/cccformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cccformat.cpp
[ 52%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cacheformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cacheformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cacheformat.so CMakeFiles/cacheformat.dir/cacheformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Built target cacheformat
make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 52%] Building CXX object src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchem3dformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -MF CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o.d -o CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chem3dformat.cpp
[ 53%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/carformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/carformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/carformat.so CMakeFiles/carformat.dir/carformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 53%] Built target carformat
make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 53%] Building CXX object src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawct_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -MF CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o.d -o CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chemdrawct.cpp
[ 53%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cccformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cccformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cccformat.so CMakeFiles/cccformat.dir/cccformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 53%] Built target cccformat
make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 53%] Building CXX object src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemtoolformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -MF CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o.d -o CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chemtoolformat.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chem3dformat.cpp: In static member function 'static bool OpenBabel::CHEM3D1Format::WriteChem3d(std::ostream&, OpenBabel::OBMol&, const char*)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chem3dformat.cpp:309:52: warning: '%d' directive output may be truncated writing between 1 and 10 bytes into a region of size 4 [-Wformat-truncation=]
  309 |             snprintf(type_name, sizeof(type_num), "%d",type_num);
      |                                                    ^~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chem3dformat.cpp:309:51: note: directive argument in the range [-536870912, 536873461]
  309 |             snprintf(type_name, sizeof(type_num), "%d",type_num);
      |                                                   ^~~~
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chem3dformat.cpp:17:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 2 and 11 bytes into a destination of size 4
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
[ 53%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/MCDLformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/MCDLformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/MCDLformat.so CMakeFiles/MCDLformat.dir/MCDLformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 53%] Built target MCDLformat
make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 54%] Building CXX object src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcifformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cifformat.dir/cifformat.cpp.o -MF CMakeFiles/cifformat.dir/cifformat.cpp.o.d -o CMakeFiles/cifformat.dir/cifformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cifformat.cpp
[ 54%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/chem3dformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chem3dformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chem3dformat.so CMakeFiles/chem3dformat.dir/chem3dformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 54%] Built target chem3dformat
make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 55%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/chemdrawct.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawct.dir/link.txt --verbose=1
[ 55%] Building CXX object src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcofformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cofformat.dir/cofformat.cpp.o -MF CMakeFiles/cofformat.dir/cofformat.cpp.o.d -o CMakeFiles/cofformat.dir/cofformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cofformat.cpp
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chemdrawct.so CMakeFiles/chemdrawct.dir/chemdrawct.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
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[ 55%] Building CXX object src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcrkformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/crkformat.dir/crkformat.cpp.o -MF CMakeFiles/crkformat.dir/crkformat.cpp.o.d -o CMakeFiles/crkformat.dir/crkformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/crkformat.cpp
[ 55%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/chemtoolformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemtoolformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chemtoolformat.so CMakeFiles/chemtoolformat.dir/chemtoolformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 55%] Building CXX object src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcssrformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cssrformat.dir/cssrformat.cpp.o -MF CMakeFiles/cssrformat.dir/cssrformat.cpp.o.d -o CMakeFiles/cssrformat.dir/cssrformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cssrformat.cpp
[ 56%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/crkformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/crkformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/crkformat.so CMakeFiles/crkformat.dir/crkformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Ddlpolyformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -MF CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o.d -o CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/dlpolyformat.cpp
[ 56%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cssrformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cssrformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cssrformat.so CMakeFiles/cssrformat.dir/cssrformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 56%] Building CXX object src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dexyzformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/exyzformat.dir/exyzformat.cpp.o -MF CMakeFiles/exyzformat.dir/exyzformat.cpp.o.d -o CMakeFiles/exyzformat.dir/exyzformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/exyzformat.cpp
[ 56%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cofformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cofformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cofformat.so CMakeFiles/cofformat.dir/cofformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Building CXX object src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastsearchformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -MF CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o.d -o CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fastsearchformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/dlpolyformat.cpp:14:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'bool OpenBabel::DlpolyInputReader::ReadAtom(std::istream&, OpenBabel::OBMol&)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cifformat.cpp:24:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/cifformat.cpp:24:
/usr/include/c++/10/bits/stl_map.h: In member function 'void OpenBabel::CIFData::ExtractCharges()':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
[ 57%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/exyzformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/exyzformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/exyzformat.so CMakeFiles/exyzformat.dir/exyzformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Built target exyzformat
make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Building CXX object src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfastaformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fastaformat.dir/fastaformat.cpp.o -MF CMakeFiles/fastaformat.dir/fastaformat.cpp.o.d -o CMakeFiles/fastaformat.dir/fastaformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fastaformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fastsearchformat.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fastsearchformat.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void OpenBabel::FastSearchFormat::AddPattern(std::vector<OpenBabel::OBMol>&, OpenBabel::OBMol, int)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'bool OpenBabel::FastSearchFormat::ObtainTarget(OpenBabel::OBConversion*, std::vector<OpenBabel::OBMol>&, const string&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 57%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/dlpolyformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/dlpolyformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/dlpolyformat.so CMakeFiles/dlpolyformat.dir/dlpolyformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Built target dlpolyformat
make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Building CXX object src/formats/CMakeFiles/featformat.dir/featformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfeatformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/featformat.dir/featformat.cpp.o -MF CMakeFiles/featformat.dir/featformat.cpp.o.d -o CMakeFiles/featformat.dir/featformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/featformat.cpp
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::FastSearchFormat::ReadChemObject(OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 57%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fastsearchformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastsearchformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fastsearchformat.so CMakeFiles/fastsearchformat.dir/fastsearchformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Built target fastsearchformat
make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 57%] Building CXX object src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfhformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fhformat.dir/fhformat.cpp.o -MF CMakeFiles/fhformat.dir/fhformat.cpp.o.d -o CMakeFiles/fhformat.dir/fhformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fhformat.cpp
[ 58%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/featformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/featformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/featformat.so CMakeFiles/featformat.dir/featformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color=
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[ 59%] Building CXX object src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dfingerprintformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -MF CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o.d -o CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/fingerprintformat.cpp
[ 59%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cifformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cifformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cifformat.so CMakeFiles/cifformat.dir/cifformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
[ 59%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fhformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fhformat.dir/link.txt --verbose=1
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fhformat.so CMakeFiles/fhformat.dir/fhformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 59%] Building CXX object src/formats/CMakeFiles/fpsformat.dir/fpsformat.cpp.o
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[ 59%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fastaformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fastaformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fastaformat.so CMakeFiles/fastaformat.dir/fastaformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 59%] Built target fastaformat
make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 59%] Building CXX object src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dghemicalformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -MF CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o.d -o CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/ghemicalformat.cpp
[ 59%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fingerprintformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fingerprintformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fingerprintformat.so CMakeFiles/fingerprintformat.dir/fingerprintformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 59%] Built target fingerprintformat
make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 60%] Building CXX object src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgromos96format_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/gromos96format.dir/gromos96format.cpp.o -MF CMakeFiles/gromos96format.dir/gromos96format.cpp.o.d -o CMakeFiles/gromos96format.dir/gromos96format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/gromos96format.cpp
[ 60%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/fpsformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/fpsformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/fpsformat.so CMakeFiles/fpsformat.dir/fpsformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 60%] Built target fpsformat
make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 60%] Building CXX object src/formats/CMakeFiles/groformat.dir/groformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dgroformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/groformat.dir/groformat.cpp.o -MF CMakeFiles/groformat.dir/groformat.cpp.o.d -o CMakeFiles/groformat.dir/groformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/groformat.cpp
[ 61%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/freefracformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/freefracformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/freefracformat.so CMakeFiles/freefracformat.dir/freefracformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target freefracformat
make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Building CXX object src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlmpdatformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -MF CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o.d -o CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/lmpdatformat.cpp
[ 61%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/ghemicalformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/ghemicalformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/ghemicalformat.so CMakeFiles/ghemicalformat.dir/ghemicalformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target ghemicalformat
make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
[ 61%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/gromos96format.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/gromos96format.dir/link.txt --verbose=1
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/gromos96format.so CMakeFiles/gromos96format.dir/gromos96format.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Building CXX object src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dlpmdformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -MF CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o.d -o CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/lpmdformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target gromos96format
make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Building CXX object src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmdffformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mdffformat.dir/mdffformat.cpp.o -MF CMakeFiles/mdffformat.dir/mdffformat.cpp.o.d -o CMakeFiles/mdffformat.dir/mdffformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdffformat.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/lmpdatformat.cpp:15:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/lmpdatformat.cpp:15:
/usr/include/c++/10/bits/stl_map.h: In member function 'std::map<_Key, _Tp, _Compare, _Alloc>::mapped_type& std::map<_Key, _Tp, _Compare, _Alloc>::operator[](const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Tp = double; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual bool OpenBabel::LMPDATFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/lpmdformat.cpp:15:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::LpmdFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 61%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/groformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/groformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/groformat.so CMakeFiles/groformat.dir/groformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target groformat
make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Building CXX object src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmcifformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -MF CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o.d -o CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mmcifformat.cpp
[ 61%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/lmpdatformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lmpdatformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/lmpdatformat.so CMakeFiles/lmpdatformat.dir/lmpdatformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target lmpdatformat
make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Building CXX object src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmmodformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mmodformat.dir/mmodformat.cpp.o -MF CMakeFiles/mmodformat.dir/mmodformat.cpp.o.d -o CMakeFiles/mmodformat.dir/mmodformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mmodformat.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdffformat.cpp:17:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mdffformat.cpp:17:
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual bool OpenBabel::MDFFFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
[ 62%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/lpmdformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/lpmdformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/lpmdformat.so CMakeFiles/lpmdformat.dir/lpmdformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 62%] Built target lpmdformat
make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 62%] Building CXX object src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmoldenformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/moldenformat.dir/moldenformat.cpp.o -MF CMakeFiles/moldenformat.dir/moldenformat.cpp.o.d -o CMakeFiles/moldenformat.dir/moldenformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/moldenformat.cpp
[ 62%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mdffformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mdffformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mdffformat.so CMakeFiles/mdffformat.dir/mdffformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 62%] Building CXX object src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpdformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mpdformat.dir/mpdformat.cpp.o -MF CMakeFiles/mpdformat.dir/mpdformat.cpp.o.d -o CMakeFiles/mpdformat.dir/mpdformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mpdformat.cpp
[ 63%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mmodformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmodformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mmodformat.so CMakeFiles/mmodformat.dir/mmodformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 63%] Building CXX object src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmpqcformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -MF CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o.d -o CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mpqcformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/moldenformat.cpp:29:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:171:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  171 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 63%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mpdformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpdformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mpdformat.so CMakeFiles/mpdformat.dir/mpdformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 63%] Built target mpdformat
make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/msiformat.dir/msiformat.cpp.o -MF CMakeFiles/msiformat.dir/msiformat.cpp.o.d -o CMakeFiles/msiformat.dir/msiformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/msiformat.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mmcifformat.cpp:19:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h: In function 'std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::iterator std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_emplace_hint_unique(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, _Args&& ...) [with _Args = {const std::piecewise_construct_t&, std::tuple<const std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >&>, std::tuple<>}; _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2460 |       _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_tree.h:2460:7: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/moldenformat.cpp:29:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::OBMoldenFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/moldenformat.cpp:29:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/moldenformat.cpp:29:
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/map:61,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:31,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/mmcifformat.cpp:19:
/usr/include/c++/10/bits/stl_map.h: In member function 'virtual bool OpenBabel::mmCIFFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
/usr/include/c++/10/bits/stl_map.h:501:37: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
  501 |    __i = _M_t._M_emplace_hint_unique(__i, std::piecewise_construct,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  502 |          std::tuple<const key_type&>(__k),
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
  503 |          std::tuple<>());
      |          ~~~~~~~~~~~~~~~             
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mpqcformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mpqcformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mpqcformat.so CMakeFiles/mpqcformat.dir/mpqcformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target mpqcformat
make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dmsmsformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/msmsformat.dir/msmsformat.cpp.o -MF CMakeFiles/msmsformat.dir/msmsformat.cpp.o.d -o CMakeFiles/msmsformat.dir/msmsformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/msmsformat.cpp
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/moldenformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/moldenformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/moldenformat.so CMakeFiles/moldenformat.dir/moldenformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target moldenformat
make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dopendxformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/opendxformat.dir/opendxformat.cpp.o -MF CMakeFiles/opendxformat.dir/opendxformat.cpp.o.d -o CMakeFiles/opendxformat.dir/opendxformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/opendxformat.cpp
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/mmcifformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/mmcifformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/mmcifformat.so CMakeFiles/mmcifformat.dir/mmcifformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/msiformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/msiformat.so CMakeFiles/msiformat.dir/msiformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target mmcifformat
make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/outformat.dir/outformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Doutformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/outformat.dir/outformat.cpp.o -MF CMakeFiles/outformat.dir/outformat.cpp.o.d -o CMakeFiles/outformat.dir/outformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/outformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target msiformat
make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpcmodelformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -MF CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o.d -o CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pcmodelformat.cpp
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/msmsformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/msmsformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/msmsformat.so CMakeFiles/msmsformat.dir/msmsformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target msmsformat
make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Building CXX object src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpdbqtformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -MF CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o.d -o CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/opendxformat.cpp:24:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::OBOpenDXCubeFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/outformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/outformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/outformat.so CMakeFiles/outformat.dir/outformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pcmodelformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pcmodelformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pcmodelformat.so CMakeFiles/pcmodelformat.dir/pcmodelformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 64%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/opendxformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/opendxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/opendxformat.so CMakeFiles/opendxformat.dir/opendxformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target outformat
make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target pcmodelformat
make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Building CXX object src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpointcloudformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -MF CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o.d -o CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake --color=
[ 65%] Built target opendxformat
make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Building CXX object src/formats/CMakeFiles/posformat.dir/posformat.cpp.o
make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dposformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/posformat.dir/posformat.cpp.o -MF CMakeFiles/posformat.dir/posformat.cpp.o.d -o CMakeFiles/posformat.dir/posformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/posformat.cpp
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Building CXX object src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpqrformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pqrformat.dir/pqrformat.cpp.o -MF CMakeFiles/pqrformat.dir/pqrformat.cpp.o.d -o CMakeFiles/pqrformat.dir/pqrformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp: In function 'void OpenBabel::OutputAtom(OpenBabel::OBAtom*, std::ostream&, unsigned int)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:345:52: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  345 |       snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                    ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:24:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:363:60: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  363 |           snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                            ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:24:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:24:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/stl_vector.h: In function 'bool OpenBabel::conditional_add(std::vector<OpenBabel::vector3>&, OpenBabel::vector3, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::PointCloudFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pointcloudformat.cpp:28:
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 65%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pointcloudformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pointcloudformat.dir/link.txt --verbose=1
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp: In member function 'virtual bool OpenBabel::PQRFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp:511:58: warning: '__builtin___snprintf_chk' output may be truncated before the last format character [-Wformat-truncation=]
  511 |             snprintf(type_name, sizeof(type_name), " %-3s", tmp);
      |                                                          ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp:16:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 11 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pointcloudformat.so CMakeFiles/pointcloudformat.dir/pointcloudformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp:528:66: warning: '%-3s' directive output may be truncated writing between 3 and 15 bytes into a region of size 9 [-Wformat-truncation=]
  528 |                     snprintf(padded_name, sizeof(padded_name), " %-3s", tmp);
      |                                                                  ^~~~   ~~~
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp:16:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 17 bytes into a destination of size 10
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Built target pointcloudformat
make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Building CXX object src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dshelxformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/shelxformat.dir/shelxformat.cpp.o -MF CMakeFiles/shelxformat.dir/shelxformat.cpp.o.d -o CMakeFiles/shelxformat.dir/shelxformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/shelxformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pqrformat.cpp:16:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
[ 65%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/posformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/posformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/posformat.so CMakeFiles/posformat.dir/posformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Built target posformat
make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Building CXX object src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dsmileyformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/smileyformat.dir/smileyformat.cpp.o -MF CMakeFiles/smileyformat.dir/smileyformat.cpp.o.d -o CMakeFiles/smileyformat.dir/smileyformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/smileyformat.cpp
/usr/include/c++/10/bits/vector.tcc: In member function 'virtual bool OpenBabel::PQRFormat::ReadMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 65%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pqrformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pqrformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pqrformat.so CMakeFiles/pqrformat.dir/pqrformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Built target pqrformat
make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Building CXX object src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dstlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/stlformat.dir/stlformat.cpp.o -MF CMakeFiles/stlformat.dir/stlformat.cpp.o.d -o CMakeFiles/stlformat.dir/stlformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/stlformat.cpp
[ 66%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/shelxformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/shelxformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/shelxformat.so CMakeFiles/shelxformat.dir/shelxformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Built target shelxformat
make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/pdbqtformat.cpp:24:
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::PDBQTFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Building CXX object src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dthermoformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/thermoformat.dir/thermoformat.cpp.o -MF CMakeFiles/thermoformat.dir/thermoformat.cpp.o.d -o CMakeFiles/thermoformat.dir/thermoformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/thermoformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/stlformat.cpp:28:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::Triangle}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator<OpenBabel::Triangle>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::Triangle>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::Triangle}; _Tp = OpenBabel::Triangle; _Alloc = std::allocator<OpenBabel::Triangle>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::Triangle*, std::vector<OpenBabel::Triangle> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 66%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/stlformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/stlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/stlformat.so CMakeFiles/stlformat.dir/stlformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pdbqtformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pdbqtformat.dir/link.txt --verbose=1
[ 66%] Built target stlformat
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pdbqtformat.so CMakeFiles/pdbqtformat.dir/pdbqtformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Building CXX object src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dtinkerformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -MF CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o.d -o CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/tinkerformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Built target pdbqtformat
make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Building CXX object src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dunichemformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/unichemformat.dir/unichemformat.cpp.o -MF CMakeFiles/unichemformat.dir/unichemformat.cpp.o.d -o CMakeFiles/unichemformat.dir/unichemformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/unichemformat.cpp
[ 66%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/thermoformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/thermoformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/thermoformat.so CMakeFiles/thermoformat.dir/thermoformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Built target thermoformat
make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Building CXX object src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dviewmolformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -MF CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o.d -o CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/viewmolformat.cpp
[ 66%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/smileyformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/smileyformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/smileyformat.so CMakeFiles/smileyformat.dir/smileyformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 67%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/unichemformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/unichemformat.dir/link.txt --verbose=1
[ 67%] Built target smileyformat
make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/unichemformat.so CMakeFiles/unichemformat.dir/unichemformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 68%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/wlnformat.dir/wlnformat.cpp.o -MF CMakeFiles/wlnformat.dir/wlnformat.cpp.o.d -o CMakeFiles/wlnformat.dir/wlnformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/wlnformat.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 68%] Built target unichemformat
[ 68%] Building CXX object src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dwlnformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -MF CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o.d -o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/wln-nextmove.cpp
[ 68%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/tinkerformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/tinkerformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/tinkerformat.so CMakeFiles/tinkerformat.dir/tinkerformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 68%] Built target tinkerformat
make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 68%] Building CXX object src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxedformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/xedformat.dir/xedformat.cpp.o -MF CMakeFiles/xedformat.dir/xedformat.cpp.o.d -o CMakeFiles/xedformat.dir/xedformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xedformat.cpp
[ 68%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/viewmolformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/viewmolformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/viewmolformat.so CMakeFiles/viewmolformat.dir/viewmolformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 68%] Built target viewmolformat
make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 69%] Building CXX object src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxyzformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/xyzformat.dir/xyzformat.cpp.o -MF CMakeFiles/xyzformat.dir/xyzformat.cpp.o.d -o CMakeFiles/xyzformat.dir/xyzformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xyzformat.cpp
make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 69%] Building CXX object src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dyasaraformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -MF CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o.d -o CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/yasaraformat.cpp
[ 69%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/xedformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xedformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/xedformat.so CMakeFiles/xedformat.dir/xedformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 69%] Built target xedformat
make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Building CXX object src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drxnformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/rxnformat.dir/rxnformat.cpp.o -MF CMakeFiles/rxnformat.dir/rxnformat.cpp.o.d -o CMakeFiles/rxnformat.dir/rxnformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/rxnformat.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/yasaraformat.cpp: In member function 'virtual bool OpenBabel::YOBFormat::WriteMolecule(OpenBabel::OBBase*, OpenBabel::OBConversion*)':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/yasaraformat.cpp:572:36: warning: '__builtin___snprintf_chk' output truncated before the last format character [-Wformat-truncation=]
  572 |       snprintf(&buffer[12], 4, "%4d",res->GetNum()); }
      |                                    ^
In file included from /usr/include/stdio.h:866,
                 from /usr/include/c++/10/cstdio:42,
                 from /usr/include/c++/10/ext/string_conversions.h:43,
                 from /usr/include/c++/10/bits/basic_string.h:6557,
                 from /usr/include/c++/10/string:55,
                 from /usr/include/c++/10/bits/locale_classes.h:40,
                 from /usr/include/c++/10/bits/ios_base.h:41,
                 from /usr/include/c++/10/ios:42,
                 from /usr/include/c++/10/ostream:38,
                 from /usr/include/c++/10/iostream:39,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:24,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obmolecformat.h:36,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/yasaraformat.cpp:34:
/usr/include/arm-linux-gnueabihf/bits/stdio2.h:71:35: note: '__builtin___snprintf_chk' output between 5 and 12 bytes into a destination of size 4
   71 |   return __builtin___snprintf_chk (__s, __n, __USE_FORTIFY_LEVEL - 1,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   72 |        __glibc_objsize (__s), __fmt,
      |        ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
   73 |        __va_arg_pack ());
      |        ~~~~~~~~~~~~~~~~~           
[ 70%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/xyzformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xyzformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/xyzformat.so CMakeFiles/xyzformat.dir/xyzformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 70%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/yasaraformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/yasaraformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/yasaraformat.so CMakeFiles/yasaraformat.dir/yasaraformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Built target xyzformat
make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Building CXX object src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdrawcdx_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -MF CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o.d -o CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chemdrawcdx.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Built target yasaraformat
make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Building CXX object src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemkinformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -MF CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o.d -o CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chemkinformat.cpp
[ 70%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/wlnformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/wlnformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/wlnformat.so CMakeFiles/wlnformat.dir/wlnformat.cpp.o CMakeFiles/wlnformat.dir/wln-nextmove.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Built target wlnformat
make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
[ 70%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/rxnformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rxnformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/rxnformat.so CMakeFiles/rxnformat.dir/rxnformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Built target rxnformat
make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake --color=
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Building CXX object src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drsmiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -MF CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o.d -o CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/rsmiformat.cpp
[ 70%] Building CXX object src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Drinchiformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -MF CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o.d -o CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/rinchiformat.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/chemkinformat.cpp:20:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 71%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/rinchiformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rinchiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/rinchiformat.so CMakeFiles/rinchiformat.dir/rinchiformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 71%] Built target rinchiformat
make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 72%] Building CXX object src/formats/CMakeFiles/png2format.dir/png2format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/png2format.dir/png2format.cpp.o -MF CMakeFiles/png2format.dir/png2format.cpp.o.d -o CMakeFiles/png2format.dir/png2format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/png2format.cpp
[ 72%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/rsmiformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/rsmiformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/rsmiformat.so CMakeFiles/rsmiformat.dir/rsmiformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 72%] Built target rsmiformat
make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cdxmlformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/xml.h:21,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cdxmlformat.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'OpenBabel::Boundary OpenBabel::ChemDrawXMLFormat::CalculateMoleculeBoundary(OpenBabel::OBMol*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 73%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/chemdrawcdx.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemdrawcdx.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chemdrawcdx.so CMakeFiles/chemdrawcdx.dir/chemdrawcdx.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 73%] Building CXX object src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcdxmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xml.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Built target chemdrawcdx
[ 73%] Building CXX object src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpng2format_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -MF CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o.d -o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/depict/cairopainter.cpp
make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -MF CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cmlformat.cpp
[ 73%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/chemkinformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/chemkinformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chemkinformat.so CMakeFiles/chemkinformat.dir/chemkinformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Built target chemkinformat
make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
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make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -MF CMakeFiles/pubchem.dir/xml/pubchem.cpp.o.d -o CMakeFiles/pubchem.dir/xml/pubchem.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/pubchem.cpp
[ 73%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/png2format.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/png2format.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/png2format.so CMakeFiles/png2format.dir/png2format.cpp.o CMakeFiles/png2format.dir/__/depict/cairopainter.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Built target png2format
[ 73%] Building CXX object src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlformat.dir/xml/xml.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xml.cpp
[ 73%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cdxmlformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cdxmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cdxmlformat.so CMakeFiles/cdxmlformat.dir/xml/cdxmlformat.cpp.o CMakeFiles/cdxmlformat.dir/xml/xml.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 73%] Built target cdxmlformat
[ 73%] Building CXX object src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchem_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pubchem.dir/xml/xml.cpp.o -MF CMakeFiles/pubchem.dir/xml/xml.cpp.o.d -o CMakeFiles/pubchem.dir/xml/xml.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xml.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/xml.h:21,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/pubchem.cpp:17:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/obconversion.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/xml.h:21,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/pubchem.cpp:17:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'virtual bool OpenBabel::PubChemFormat::DoElement(const string&)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 74%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xmlformat.cpp
make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 75%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cmlreactformat.cpp
[ 75%] Building CXX object src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dxmlformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/xmlformat.dir/xml/xml.cpp.o -MF CMakeFiles/xmlformat.dir/xml/xml.cpp.o.d -o CMakeFiles/xmlformat.dir/xml/xml.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xml.cpp
[ 76%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pubchem.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/pubchem.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/pubchem.so CMakeFiles/pubchem.dir/xml/pubchem.cpp.o CMakeFiles/pubchem.dir/xml/xml.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 76%] Built target pubchem
make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemdoodlejsonformat.dir/build.make src/formats/CMakeFiles/chemdoodlejsonformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 77%] Building CXX object src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dchemdoodlejsonformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -MF CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o.d -o CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/json/chemdoodlejsonformat.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cmlformat.cpp:19:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 77%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/xmlformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/xmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/xmlformat.so CMakeFiles/xmlformat.dir/xml/xmlformat.cpp.o CMakeFiles/xmlformat.dir/xml/xml.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 77%] Built target xmlformat
[ 77%] Building CXX object src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dcmlreactformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -MF CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o.d -o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/xml.cpp
In file included from /usr/include/c++/10/map:60,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:46,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/xml/cmlreactformat.cpp:15:
/usr/include/c++/10/bits/stl_tree.h: In member function 'std::pair<std::_Rb_tree_node_base*, std::_Rb_tree_node_base*> std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::_M_get_insert_hint_unique_pos(std::_Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::const_iterator, const key_type&) [with _Key = std::__cxx11::basic_string<char>; _Val = std::pair<const std::__cxx11::basic_string<char>, double>; _KeyOfValue = std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >; _Compare = std::less<std::__cxx11::basic_string<char> >; _Alloc = std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> >]':
/usr/include/c++/10/bits/stl_tree.h:2195:5: note: parameter passing for argument of type 'std::_Rb_tree<std::__cxx11::basic_string<char>, std::pair<const std::__cxx11::basic_string<char>, double>, std::_Select1st<std::pair<const std::__cxx11::basic_string<char>, double> >, std::less<std::__cxx11::basic_string<char> >, std::allocator<std::pair<const std::__cxx11::basic_string<char>, double> > >::const_iterator' changed in GCC 7.1
 2195 |     _Rb_tree<_Key, _Val, _KeyOfValue, _Compare, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pubchemjsonformat.dir/build.make src/formats/CMakeFiles/pubchemjsonformat.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 77%] Building CXX object src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/c++ -DBUILD_LINK_AS_DLL -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dpubchemjsonformat_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/cairo -I/usr/include/libxml2 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT src/formats/CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -MF CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o.d -o CMakeFiles/pubchemjsonformat.dir/json/pubchemjsonformat.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/json/pubchemjsonformat.cpp
[ 77%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cmlreactformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlreactformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cmlreactformat.so CMakeFiles/cmlreactformat.dir/xml/cmlreactformat.cpp.o CMakeFiles/cmlreactformat.dir/xml/xml.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 77%] Built target cmlreactformat
make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obabel.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 77%] Building CXX object tools/CMakeFiles/obabel.dir/obabel.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obabel.dir/obabel.cpp.o -MF CMakeFiles/obabel.dir/obabel.cpp.o.d -o CMakeFiles/obabel.dir/obabel.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obabel.cpp
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obabel.cpp:104:29: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
  104 |                          << __DATE__ << " -- " << __TIME__ << endl;
      |                             ^~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obabel.cpp:104:51: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
  104 |                          << __DATE__ << " -- " << __TIME__ << endl;
      |                                                   ^~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obabel.cpp:417:55: warning: macro "__DATE__" might prevent reproducible builds [-Wdate-time]
  417 |   cout << "Open Babel " << BABEL_VERSION << " -- " << __DATE__ << " -- "
      |                                                       ^~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obabel.cpp:418:11: warning: macro "__TIME__" might prevent reproducible builds [-Wdate-time]
  418 |        << __TIME__ << endl;
      |           ^~~~~~~~
[ 77%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/cmlformat.so
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats && /usr/bin/cmake -E cmake_link_script CMakeFiles/cmlformat.dir/link.txt --verbose=1
/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/cmlformat.so CMakeFiles/cmlformat.dir/xml/cmlformat.cpp.o CMakeFiles/cmlformat.dir/xml/xml.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm -lxml2 ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color=
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[ 78%] Building CXX object tools/CMakeFiles/obconformer.dir/obconformer.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obconformer.dir/obconformer.cpp.o -MF CMakeFiles/obconformer.dir/obconformer.cpp.o.d -o CMakeFiles/obconformer.dir/obconformer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obconformer.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obabel.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obabel.dir/obabel.cpp.o -o ../bin/obabel  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 78%] Building CXX object tools/CMakeFiles/obenergy.dir/obenergy.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obenergy.dir/obenergy.cpp.o -MF CMakeFiles/obenergy.dir/obenergy.cpp.o.d -o CMakeFiles/obenergy.dir/obenergy.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obenergy.cpp
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/usr/bin/c++ -fPIC -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro -shared  -o ../../lib/arm-linux-gnueabihf/chemdoodlejsonformat.so CMakeFiles/chemdoodlejsonformat.dir/json/chemdoodlejsonformat.cpp.o  -lmaeparser -lcoordgen -lm -ldl -lz -lcairo -linchi -lm ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 78%] Building CXX object tools/CMakeFiles/obfit.dir/obfit.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obfit.dir/obfit.cpp.o -MF CMakeFiles/obfit.dir/obfit.cpp.o.d -o CMakeFiles/obfit.dir/obfit.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obfit.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obconformer.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obconformer.dir/obconformer.cpp.o -o ../bin/obconformer  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 78%] Building CXX object tools/CMakeFiles/obfitall.dir/obfitall.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obfitall.dir/obfitall.cpp.o -MF CMakeFiles/obfitall.dir/obfitall.cpp.o.d -o CMakeFiles/obfitall.dir/obfitall.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obfitall.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obgen.dir/obgen.cpp.o -MF CMakeFiles/obgen.dir/obgen.cpp.o.d -o CMakeFiles/obgen.dir/obgen.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obgen.cpp
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obfit.dir/obfit.cpp.o -o ../bin/obfit  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obminimize.dir/obminimize.cpp.o -MF CMakeFiles/obminimize.dir/obminimize.cpp.o.d -o CMakeFiles/obminimize.dir/obminimize.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obminimize.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obfitall.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obfitall.dir/obfitall.cpp.o -o ../bin/obfitall  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 81%] Building CXX object tools/CMakeFiles/obmm.dir/obmm.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obmm.dir/obmm.cpp.o -MF CMakeFiles/obmm.dir/obmm.cpp.o.d -o CMakeFiles/obmm.dir/obmm.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obmm.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obprobe.dir/obprobe.cpp.o -MF CMakeFiles/obprobe.dir/obprobe.cpp.o.d -o CMakeFiles/obprobe.dir/obprobe.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obprobe.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obprop.dir/obprop.cpp.o -MF CMakeFiles/obprop.dir/obprop.cpp.o.d -o CMakeFiles/obprop.dir/obprop.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obprop.cpp
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obprobe.dir/obprobe.cpp.o -o ../bin/obprobe  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obrotamer.dir/obrotamer.cpp.o -MF CMakeFiles/obrotamer.dir/obrotamer.cpp.o.d -o CMakeFiles/obrotamer.dir/obrotamer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obrotamer.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obrotate.dir/obrotate.cpp.o -MF CMakeFiles/obrotate.dir/obrotate.cpp.o.d -o CMakeFiles/obrotate.dir/obrotate.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obrotate.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obsym.dir/obsym.cpp.o -MF CMakeFiles/obsym.dir/obsym.cpp.o.d -o CMakeFiles/obsym.dir/obsym.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obsym.cpp
[ 83%] Linking CXX shared module ../../lib/arm-linux-gnueabihf/pubchemjsonformat.so
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obtautomer.dir/obtautomer.cpp.o -MF CMakeFiles/obtautomer.dir/obtautomer.cpp.o.d -o CMakeFiles/obtautomer.dir/obtautomer.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obtautomer.cpp
[ 84%] Linking CXX executable ../bin/obsym
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obsym.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obsym.dir/obsym.cpp.o -o ../bin/obsym  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obrotate.dir/obrotate.cpp.o -o ../bin/obrotate  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color=
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[ 84%] Building CXX object tools/CMakeFiles/obthermo.dir/obthermo.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obthermo.dir/obthermo.cpp.o -MF CMakeFiles/obthermo.dir/obthermo.cpp.o.d -o CMakeFiles/obthermo.dir/obthermo.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obthermo.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrotamer.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obrotamer.dir/obrotamer.cpp.o -o ../bin/obrotamer  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obdistgen.dir/obdistgen.cpp.o -MF CMakeFiles/obdistgen.dir/obdistgen.cpp.o.d -o CMakeFiles/obdistgen.dir/obdistgen.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obdistgen.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obgrep.dir/obgrep.cpp.o -MF CMakeFiles/obgrep.dir/obgrep.cpp.o.d -o CMakeFiles/obgrep.dir/obgrep.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obgrep.cpp
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obtautomer.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obtautomer.dir/obtautomer.cpp.o -o ../bin/obtautomer  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color=
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[ 84%] Building CXX object tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obthermo.dir/link.txt --verbose=1
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -MF CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o.d -o CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obspectrophore.cpp
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obthermo.dir/obthermo.cpp.o -o ../bin/obthermo  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obrms.dir/DependInfo.cmake --color=
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[ 84%] Building CXX object tools/CMakeFiles/obrms.dir/obrms.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT tools/CMakeFiles/obrms.dir/obrms.cpp.o -MF CMakeFiles/obrms.dir/obrms.cpp.o.d -o CMakeFiles/obrms.dir/obrms.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obrms.cpp
[ 84%] Linking CXX executable ../bin/obgrep
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgrep.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obgrep.dir/obgrep.cpp.o -o ../bin/obgrep  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 84%] Building CXX object src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/. -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT src/GUI/CMakeFiles/obgui.dir/OBGUI.cpp.o -MF CMakeFiles/obgui.dir/OBGUI.cpp.o.d -o CMakeFiles/obgui.dir/OBGUI.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/OBGUI.cpp
[ 84%] Linking CXX executable ../bin/obdistgen
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obdistgen.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obdistgen.dir/obdistgen.cpp.o -o ../bin/obdistgen  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
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[ 84%] Built target obdistgen
[ 85%] Building CXX object src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/. -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT src/GUI/CMakeFiles/obgui.dir/stdwx.cpp.o -MF CMakeFiles/obgui.dir/stdwx.cpp.o.d -o CMakeFiles/obgui.dir/stdwx.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/stdwx.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obrms.cpp:31:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools/obrms.cpp:31:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void std::vector<_Tp, _Alloc>::push_back(const value_type&) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
[ 85%] Linking CXX executable ../bin/obrms
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obrms.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obrms.dir/obrms.cpp.o -o ../bin/obrms  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 85%] Built target obrms
make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/test_runner.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/test_runner.cpp.o -MF CMakeFiles/test_runner.dir/test_runner.cpp.o.d -o CMakeFiles/test_runner.dir/test_runner.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/test_runner.cpp
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aligntest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/aligntest.cpp.o -MF CMakeFiles/test_runner.dir/aligntest.cpp.o.d -o CMakeFiles/test_runner.dir/aligntest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/aligntest.cpp
[ 85%] Linking CXX executable ../bin/obspectrophore
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools && /usr/bin/cmake -E cmake_link_script CMakeFiles/obspectrophore.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obspectrophore.dir/obspectrophore.cpp.o -o ../bin/obspectrophore  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 85%] Built target obspectrophore
[ 85%] Building CXX object test/CMakeFiles/test_runner.dir/aliastest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/aliastest.cpp.o -MF CMakeFiles/test_runner.dir/aliastest.cpp.o.d -o CMakeFiles/test_runner.dir/aliastest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/aliastest.cpp
[ 86%] Building CXX object test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/automorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/automorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/automorphismtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/automorphismtest.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/obtest.h:7,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/aligntest.cpp:1:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f test/CMakeFiles/test_inchiwrite.dir/build.make test/CMakeFiles/test_inchiwrite.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::emplace_back(_Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
[ 86%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -MF CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchiwrite.cpp
/usr/include/c++/10/bits/vector.tcc: In function 'void test_bug()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void test_simpleAlign()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f test/CMakeFiles/roundtrip.dir/build.make test/CMakeFiles/roundtrip.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 86%] Building CXX object test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/roundtrip.dir/roundtrip.cpp.o -MF CMakeFiles/roundtrip.dir/roundtrip.cpp.o.d -o CMakeFiles/roundtrip.dir/roundtrip.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/roundtrip.cpp
[ 87%] Building CXX object test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -MF CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o.d -o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats/getinchi.cpp
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/buildertest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/buildertest.cpp.o -MF CMakeFiles/test_runner.dir/buildertest.cpp.o.d -o CMakeFiles/test_runner.dir/buildertest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/buildertest.cpp
[ 87%] Linking CXX executable ../bin/test_inchiwrite
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_inchiwrite.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/test_inchiwrite.dir/inchiwrite.cpp.o CMakeFiles/test_inchiwrite.dir/__/src/formats/getinchi.cpp.o -o ../bin/test_inchiwrite  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
[ 87%] Linking CXX executable ../bin/roundtrip
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/roundtrip.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/roundtrip.dir/roundtrip.cpp.o -o ../bin/roundtrip  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 87%] Built target test_inchiwrite
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/canonconsistenttest.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 87%] Built target roundtrip
[ 87%] Building CXX object src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/. -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT src/GUI/CMakeFiles/obgui.dir/optswx.cpp.o -MF CMakeFiles/obgui.dir/optswx.cpp.o.d -o CMakeFiles/obgui.dir/optswx.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI/optswx.cpp
make  -f scripts/CMakeFiles/bindings_python.dir/build.make scripts/CMakeFiles/bindings_python.dir/depend
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
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make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 87%] Building CXX object scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_python_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/python3.9 -I/usr/lib/arm-linux-gnueabihf/perl/5.34/CORE -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT scripts/CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -MF CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o.d -o CMakeFiles/bindings_python.dir/python/openbabel/openbabel-python.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -MF CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o.d -o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/canonfragmenttest.cpp
[ 87%] Building CXX object test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/canonstabletest.cpp.o -MF CMakeFiles/test_runner.dir/canonstabletest.cpp.o.d -o CMakeFiles/test_runner.dir/canonstabletest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/canonstabletest.cpp
make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/depend
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f scripts/CMakeFiles/bindings_perl.dir/build.make scripts/CMakeFiles/bindings_perl.dir/build
make[4]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 87%] Building CXX object scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts && /usr/bin/c++ -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -Dbindings_perl_EXPORTS -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/usr/include/python3.9 -I/usr/lib/arm-linux-gnueabihf/perl/5.34/CORE -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIC -std=gnu++11 -MD -MT scripts/CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -MF CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o.d -o CMakeFiles/bindings_perl.dir/perl/openbabel-perl.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp
[ 87%] Linking CXX executable ../../bin/obgui
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI && /usr/bin/cmake -E cmake_link_script CMakeFiles/obgui.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/obgui.dir/OBGUI.cpp.o CMakeFiles/obgui.dir/stdwx.cpp.o CMakeFiles/obgui.dir/optswx.cpp.o -o ../../bin/obgui  ../../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 -L/usr/lib/arm-linux-gnueabihf -pthread -lwx_baseu-3.0 -lwx_gtk3u_core-3.0 -lwx_gtk3u_adv-3.0 
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/carspacegrouptest.cpp
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -MF CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o.d -o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/cifspacegrouptest.cpp
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 88%] Built target obgui
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/cistranstest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/cistranstest.cpp.o -MF CMakeFiles/test_runner.dir/cistranstest.cpp.o.d -o CMakeFiles/test_runner.dir/cistranstest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/cistranstest.cpp
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/conversiontest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/conversiontest.cpp.o -MF CMakeFiles/test_runner.dir/conversiontest.cpp.o.d -o CMakeFiles/test_runner.dir/conversiontest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/conversiontest.cpp
[ 88%] Building CXX object test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/graphsymtest.cpp.o -MF CMakeFiles/test_runner.dir/graphsymtest.cpp.o.d -o CMakeFiles/test_runner.dir/graphsymtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/graphsymtest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/gziptest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/gziptest.cpp.o -MF CMakeFiles/test_runner.dir/gziptest.cpp.o.d -o CMakeFiles/test_runner.dir/gziptest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/gziptest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/addhtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/addhtest.cpp.o -MF CMakeFiles/test_runner.dir/addhtest.cpp.o.d -o CMakeFiles/test_runner.dir/addhtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/addhtest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/implicitHtest.cpp.o -MF CMakeFiles/test_runner.dir/implicitHtest.cpp.o.d -o CMakeFiles/test_runner.dir/implicitHtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/implicitHtest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/lssrtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/lssrtest.cpp.o -MF CMakeFiles/test_runner.dir/lssrtest.cpp.o.d -o CMakeFiles/test_runner.dir/lssrtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/lssrtest.cpp
[ 89%] Building CXX object test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -MF CMakeFiles/test_runner.dir/isomorphismtest.cpp.o.d -o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/isomorphismtest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/multicmltest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/multicmltest.cpp.o -MF CMakeFiles/test_runner.dir/multicmltest.cpp.o.d -o CMakeFiles/test_runner.dir/multicmltest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/multicmltest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/periodictest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/periodictest.cpp.o -MF CMakeFiles/test_runner.dir/periodictest.cpp.o.d -o CMakeFiles/test_runner.dir/periodictest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/periodictest.cpp
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/regressionstest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/regressionstest.cpp.o -MF CMakeFiles/test_runner.dir/regressionstest.cpp.o.d -o CMakeFiles/test_runner.dir/regressionstest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/regressionstest.cpp
In file included from /usr/include/string.h:519,
                 from /usr/include/python3.9/Python.h:30,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:177:
In function 'char* strncpy(char*, const char*, size_t)',
    inlined from 'void SWIG_Python_addvarlink(PyObject*, char*, PyObject* (*)(), int (*)(PyObject*))' at /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:48604:16:
/usr/include/arm-linux-gnueabihf/bits/string_fortified.h:95:34: warning: 'char* __builtin_strncpy(char*, const char*, unsigned int)' specified bound depends on the length of the source argument [-Wstringop-overflow=]
   95 |   return __builtin___strncpy_chk (__dest, __src, __len,
      |          ~~~~~~~~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~
   96 |       __glibc_objsize (__dest));
      |       ~~~~~~~~~~~~~~~~~~~~~~~~~   
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/obtest.h:7,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/periodictest.cpp:20:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/obtest.h:7,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/periodictest.cpp:20:
/usr/include/c++/10/bits/stl_vector.h: In member function 'void PeriodicTester::TestLengths(double, double, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In member function 'void PeriodicTester::TestAngles(double, double)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp: In function 'void SWIG_Python_addvarlink(PyObject*, char*, PyObject* (*)(), int (*)(PyObject*))':
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:48601:27: note: length computed here
48601 |       size_t size = strlen(name)+1;
      |                     ~~~~~~^~~~~~
[ 90%] Building CXX object test/CMakeFiles/test_runner.dir/rotortest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/rotortest.cpp.o -MF CMakeFiles/test_runner.dir/rotortest.cpp.o.d -o CMakeFiles/test_runner.dir/rotortest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/rotortest.cpp
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(std::vector<_Tp, _Alloc>::iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<const double*, std::vector<double> >; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  721 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const double*, std::vector<double> >' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/mol.h:44,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/obtest.h:7,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/rotortest.cpp:1:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void testOBRotorGetSet()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void testOBRotorSetRotor()':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(std::vector<_Tp, _Alloc>::iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<const OpenBabel::vector3*, std::vector<OpenBabel::vector3> >; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/shuffletest.cpp.o
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/smilestest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/smilestest.cpp.o -MF CMakeFiles/test_runner.dir/smilestest.cpp.o.d -o CMakeFiles/test_runner.dir/smilestest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/smilestest.cpp
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/shuffletest.cpp.o -MF CMakeFiles/test_runner.dir/shuffletest.cpp.o.d -o CMakeFiles/test_runner.dir/shuffletest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/shuffletest.cpp
/usr/include/c++/10/bits/vector.tcc: In function 'void std::vector<_Tp, _Alloc>::_M_range_insert(std::vector<_Tp, _Alloc>::iterator, _ForwardIterator, _ForwardIterator, std::forward_iterator_tag) [with _ForwardIterator = __gnu_cxx::__normal_iterator<const OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
/usr/include/c++/10/bits/vector.tcc:721:7: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -MF CMakeFiles/test_runner.dir/spectrophoretest.cpp.o.d -o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/spectrophoretest.cpp
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/squareplanartest.cpp.o -MF CMakeFiles/test_runner.dir/squareplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/squareplanartest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/squareplanartest.cpp
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereotest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/stereotest.cpp.o -MF CMakeFiles/test_runner.dir/stereotest.cpp.o.d -o CMakeFiles/test_runner.dir/stereotest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/stereotest.cpp
[ 91%] Building CXX object test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -MF CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o.d -o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/stereoperceptiontest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tautomertest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/tautomertest.cpp.o -MF CMakeFiles/test_runner.dir/tautomertest.cpp.o.d -o CMakeFiles/test_runner.dir/tautomertest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/tautomertest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -MF CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o.d -o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/tetrahedraltest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/tetranonplanartest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -MF CMakeFiles/test_runner.dir/tetraplanartest.cpp.o.d -o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/tetraplanartest.cpp
[ 92%] Building CXX object test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -MF CMakeFiles/test_runner.dir/uniqueidtest.cpp.o.d -o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/uniqueidtest.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/maereadertest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/maereadertest.cpp.o -MF CMakeFiles/test_runner.dir/maereadertest.cpp.o.d -o CMakeFiles/test_runner.dir/maereadertest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/maereadertest.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/aromatest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/aromatest.cpp.o -MF CMakeFiles/test_runner.dir/aromatest.cpp.o.d -o CMakeFiles/test_runner.dir/aromatest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/aromatest.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/atom.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/atom.cpp.o -MF CMakeFiles/test_runner.dir/atom.cpp.o.d -o CMakeFiles/test_runner.dir/atom.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/atom.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/bond.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/bond.cpp.o -MF CMakeFiles/test_runner.dir/bond.cpp.o.d -o CMakeFiles/test_runner.dir/bond.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/bond.cpp
[ 93%] Building CXX object test/CMakeFiles/test_runner.dir/cansmi.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/cansmi.cpp.o -MF CMakeFiles/test_runner.dir/cansmi.cpp.o.d -o CMakeFiles/test_runner.dir/cansmi.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/cansmi.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -MF CMakeFiles/test_runner.dir/charge_mmff94.cpp.o.d -o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/charge_mmff94.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -MF CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o.d -o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/charge_gasteiger.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/conversion.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/conversion.cpp.o -MF CMakeFiles/test_runner.dir/conversion.cpp.o.d -o CMakeFiles/test_runner.dir/conversion.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/conversion.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/datatest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/datatest.cpp.o -MF CMakeFiles/test_runner.dir/datatest.cpp.o.d -o CMakeFiles/test_runner.dir/datatest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/datatest.cpp
[ 94%] Building CXX object test/CMakeFiles/test_runner.dir/ffgaff.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/ffgaff.cpp.o -MF CMakeFiles/test_runner.dir/ffgaff.cpp.o.d -o CMakeFiles/test_runner.dir/ffgaff.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/ffgaff.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffghemical.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/ffghemical.cpp.o -MF CMakeFiles/test_runner.dir/ffghemical.cpp.o.d -o CMakeFiles/test_runner.dir/ffghemical.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/ffghemical.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/ffmmff94.cpp.o -MF CMakeFiles/test_runner.dir/ffmmff94.cpp.o.d -o CMakeFiles/test_runner.dir/ffmmff94.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/ffmmff94.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/ffuff.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/ffuff.cpp.o -MF CMakeFiles/test_runner.dir/ffuff.cpp.o.d -o CMakeFiles/test_runner.dir/ffuff.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/ffuff.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/formalcharge.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/formalcharge.cpp.o -MF CMakeFiles/test_runner.dir/formalcharge.cpp.o.d -o CMakeFiles/test_runner.dir/formalcharge.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/formalcharge.cpp
[ 95%] Building CXX object test/CMakeFiles/test_runner.dir/format.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/format.cpp.o -MF CMakeFiles/test_runner.dir/format.cpp.o.d -o CMakeFiles/test_runner.dir/format.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/format.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/formula.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/formula.cpp.o -MF CMakeFiles/test_runner.dir/formula.cpp.o.d -o CMakeFiles/test_runner.dir/formula.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/formula.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/internalcoord.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/internalcoord.cpp.o -MF CMakeFiles/test_runner.dir/internalcoord.cpp.o.d -o CMakeFiles/test_runner.dir/internalcoord.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/internalcoord.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmarts.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/invalidsmarts.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -MF CMakeFiles/test_runner.dir/invalidsmiles.cpp.o.d -o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/invalidsmiles.cpp
[ 96%] Building CXX object test/CMakeFiles/test_runner.dir/iterators.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/iterators.cpp.o -MF CMakeFiles/test_runner.dir/iterators.cpp.o.d -o CMakeFiles/test_runner.dir/iterators.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/iterators.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/logp_psa.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/logp_psa.cpp.o -MF CMakeFiles/test_runner.dir/logp_psa.cpp.o.d -o CMakeFiles/test_runner.dir/logp_psa.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/logp_psa.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/math.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/math.cpp.o -MF CMakeFiles/test_runner.dir/math.cpp.o.d -o CMakeFiles/test_runner.dir/math.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/math.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/mol.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/mol.cpp.o -MF CMakeFiles/test_runner.dir/mol.cpp.o.d -o CMakeFiles/test_runner.dir/mol.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/mol.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -MF CMakeFiles/test_runner.dir/pdbreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/pdbreadfile.cpp
[ 97%] Building CXX object test/CMakeFiles/test_runner.dir/phmodel.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/phmodel.cpp.o -MF CMakeFiles/test_runner.dir/phmodel.cpp.o.d -o CMakeFiles/test_runner.dir/phmodel.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/phmodel.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/residue.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/residue.cpp.o -MF CMakeFiles/test_runner.dir/residue.cpp.o.d -o CMakeFiles/test_runner.dir/residue.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/residue.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/ringtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/ringtest.cpp.o -MF CMakeFiles/test_runner.dir/ringtest.cpp.o.d -o CMakeFiles/test_runner.dir/ringtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/ringtest.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartstest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/smartstest.cpp.o -MF CMakeFiles/test_runner.dir/smartstest.cpp.o.d -o CMakeFiles/test_runner.dir/smartstest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/smartstest.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smartsparse.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/smartsparse.cpp.o -MF CMakeFiles/test_runner.dir/smartsparse.cpp.o.d -o CMakeFiles/test_runner.dir/smartsparse.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/smartsparse.cpp
[ 98%] Building CXX object test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/smilesmatch.cpp.o -MF CMakeFiles/test_runner.dir/smilesmatch.cpp.o.d -o CMakeFiles/test_runner.dir/smilesmatch.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/smilesmatch.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/unitcell.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/unitcell.cpp.o -MF CMakeFiles/test_runner.dir/unitcell.cpp.o.d -o CMakeFiles/test_runner.dir/unitcell.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/unitcell.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -MF CMakeFiles/test_runner.dir/cmlreadfile.cpp.o.d -o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/cmlreadfile.cpp
[ 99%] Building CXX object test/CMakeFiles/test_runner.dir/obtest.cpp.o
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/c++ -DFORMATDIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf//\" -DHAVE_EIGEN -DHAVE_EIGEN3 -DHAVE_LIBZ -DHAVE_RADPIJSON -DHAVE_SHARED_POINTER -DHAVE_WXWIDGETS -DTESTDATADIR=\"/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/\" -DUSING_DYNAMIC_LIBS -DWXUSINGDLL -D_FILE_OFFSET_BITS=64 -D__WXGTK__ -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/include -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include -I/usr/include/eigen3 -I/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test -isystem /usr/lib/arm-linux-gnueabihf/wx/include/gtk3-unicode-3.0 -isystem /usr/include/wx-3.0 -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -fPIE -std=gnu++11 -MD -MT test/CMakeFiles/test_runner.dir/obtest.cpp.o -MF CMakeFiles/test_runner.dir/obtest.cpp.o.d -o CMakeFiles/test_runner.dir/obtest.cpp.o -c /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/obtest.cpp
[ 99%] Linking CXX executable ../bin/test_runner
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test && /usr/bin/cmake -E cmake_link_script CMakeFiles/test_runner.dir/link.txt --verbose=1
/usr/bin/c++ -g -O2 -ffile-prefix-map=/<<BUILDDIR>>/openbabel-3.1.1+dfsg=. -fstack-protector-strong -Wformat -Werror=format-security -std=gnu++98 -Wdate-time -D_FORTIFY_SOURCE=2 -Wdate-time -D_FORTIFY_SOURCE=2 -pthread -fopenmp -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,--enable-new-dtags -Wl,--fatal-warnings -Wl,--no-undefined -lc -Wl,-z,relro  -rdynamic CMakeFiles/test_runner.dir/test_runner.cpp.o CMakeFiles/test_runner.dir/aligntest.cpp.o CMakeFiles/test_runner.dir/aliastest.cpp.o CMakeFiles/test_runner.dir/automorphismtest.cpp.o CMakeFiles/test_runner.dir/buildertest.cpp.o CMakeFiles/test_runner.dir/canonconsistenttest.cpp.o CMakeFiles/test_runner.dir/canonfragmenttest.cpp.o CMakeFiles/test_runner.dir/canonstabletest.cpp.o CMakeFiles/test_runner.dir/carspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cifspacegrouptest.cpp.o CMakeFiles/test_runner.dir/cistranstest.cpp.o CMakeFiles/test_runner.dir/conversiontest.cpp.o CMakeFiles/test_runner.dir/graphsymtest.cpp.o CMakeFiles/test_runner.dir/gziptest.cpp.o CMakeFiles/test_runner.dir/addhtest.cpp.o CMakeFiles/test_runner.dir/implicitHtest.cpp.o CMakeFiles/test_runner.dir/lssrtest.cpp.o CMakeFiles/test_runner.dir/isomorphismtest.cpp.o CMakeFiles/test_runner.dir/multicmltest.cpp.o CMakeFiles/test_runner.dir/periodictest.cpp.o CMakeFiles/test_runner.dir/regressionstest.cpp.o CMakeFiles/test_runner.dir/rotortest.cpp.o CMakeFiles/test_runner.dir/shuffletest.cpp.o CMakeFiles/test_runner.dir/smilestest.cpp.o CMakeFiles/test_runner.dir/spectrophoretest.cpp.o CMakeFiles/test_runner.dir/squareplanartest.cpp.o CMakeFiles/test_runner.dir/stereotest.cpp.o CMakeFiles/test_runner.dir/stereoperceptiontest.cpp.o CMakeFiles/test_runner.dir/tautomertest.cpp.o CMakeFiles/test_runner.dir/tetrahedraltest.cpp.o CMakeFiles/test_runner.dir/tetranonplanartest.cpp.o CMakeFiles/test_runner.dir/tetraplanartest.cpp.o CMakeFiles/test_runner.dir/uniqueidtest.cpp.o CMakeFiles/test_runner.dir/maereadertest.cpp.o CMakeFiles/test_runner.dir/aromatest.cpp.o CMakeFiles/test_runner.dir/atom.cpp.o CMakeFiles/test_runner.dir/bond.cpp.o CMakeFiles/test_runner.dir/cansmi.cpp.o CMakeFiles/test_runner.dir/charge_mmff94.cpp.o CMakeFiles/test_runner.dir/charge_gasteiger.cpp.o CMakeFiles/test_runner.dir/conversion.cpp.o CMakeFiles/test_runner.dir/datatest.cpp.o CMakeFiles/test_runner.dir/ffgaff.cpp.o CMakeFiles/test_runner.dir/ffghemical.cpp.o CMakeFiles/test_runner.dir/ffmmff94.cpp.o CMakeFiles/test_runner.dir/ffuff.cpp.o CMakeFiles/test_runner.dir/formalcharge.cpp.o CMakeFiles/test_runner.dir/format.cpp.o CMakeFiles/test_runner.dir/formula.cpp.o CMakeFiles/test_runner.dir/internalcoord.cpp.o CMakeFiles/test_runner.dir/invalidsmarts.cpp.o CMakeFiles/test_runner.dir/invalidsmiles.cpp.o CMakeFiles/test_runner.dir/iterators.cpp.o CMakeFiles/test_runner.dir/logp_psa.cpp.o CMakeFiles/test_runner.dir/math.cpp.o CMakeFiles/test_runner.dir/mol.cpp.o CMakeFiles/test_runner.dir/pdbreadfile.cpp.o CMakeFiles/test_runner.dir/phmodel.cpp.o CMakeFiles/test_runner.dir/residue.cpp.o CMakeFiles/test_runner.dir/ringtest.cpp.o CMakeFiles/test_runner.dir/smartstest.cpp.o CMakeFiles/test_runner.dir/smartsparse.cpp.o CMakeFiles/test_runner.dir/smilesmatch.cpp.o CMakeFiles/test_runner.dir/unitcell.cpp.o CMakeFiles/test_runner.dir/cmlreadfile.cpp.o CMakeFiles/test_runner.dir/obtest.cpp.o -o ../bin/test_runner  ../lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 99%] Built target test_runner
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const double&}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<double>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator, std::vector<_Tp, _Alloc>::iterator) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  184 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector<double>; Difference = int; InputSeq = std::vector<double>]':
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const double*, std::vector<double> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorDouble___delslice__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator) [with _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:171:5: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  171 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<double>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorDouble___delitem__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<OpenBabel::vector3>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator, std::vector<_Tp, _Alloc>::iterator) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  184 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector<OpenBabel::vector3>; Difference = int; InputSeq = std::vector<OpenBabel::vector3>]':
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorVector3___delslice__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator) [with _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:171:5: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  171 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<OpenBabel::vector3>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorVector3___delitem__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'Sequence* swig::getslice(const Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<OpenBabel::OBMol>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator, std::vector<_Tp, _Alloc>::iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  184 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:184:5: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::setslice(Sequence*, Difference, Difference, Py_ssize_t, const InputSeq&) [with Sequence = std::vector<OpenBabel::OBMol>; Difference = int; InputSeq = std::vector<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
 1665 |    _M_range_insert(__pos, __first, __last,
      |    ~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~
 1666 |      std::__iterator_category(__first));
      |      ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1665:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<const OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorOBMol___delslice__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'std::vector<_Tp, _Alloc>::iterator std::vector<_Tp, _Alloc>::_M_erase(std::vector<_Tp, _Alloc>::iterator) [with _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:171:5: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  171 |     vector<_Tp, _Alloc>::
      |     ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/stl_vector.h: In function 'void swig::delslice(Sequence*, Difference, Difference, Py_ssize_t) [with Sequence = std::vector<OpenBabel::OBMol>; Difference = int]':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h:1461:17: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1461 |  return _M_erase(__beg + (__first - __cbeg), __beg + (__last - __cbeg));
      |         ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'PyObject* _wrap_vectorOBMol___delitem__(PyObject*, PyObject*)':
/usr/include/c++/10/bits/stl_vector.h:1431:24: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1431 |       { return _M_erase(begin() + (__position - cbegin())); }
      |                ~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python/openbabel/openbabel-python.cpp:3397:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In static member function 'static int swig::traits_asptr_stdseq<Seq, T>::asptr(PyObject*, swig::traits_asptr_stdseq<Seq, T>::sequence**) [with Seq = std::vector<double>; T = double]':
/usr/include/c++/10/bits/vector.tcc:356:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  356 |  _M_realloc_insert(begin() + __n, std::move(__v));
      |  ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::vector3}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void swig::assign(const SwigPySeq&, Seq*) [with SwigPySeq = swig::SwigPySequence_Cont<OpenBabel::vector3>; Seq = std::vector<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:356:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
  356 |  _M_realloc_insert(begin() + __n, std::move(__v));
      |  ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {OpenBabel::OBMol}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In static member function 'static int swig::traits_asptr_stdseq<Seq, T>::asptr(PyObject*, swig::traits_asptr_stdseq<Seq, T>::sequence**) [with Seq = std::vector<OpenBabel::OBMol>; T = OpenBabel::OBMol]':
/usr/include/c++/10/bits/vector.tcc:356:19: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
  356 |  _M_realloc_insert(begin() + __n, std::move(__v));
      |  ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp:1763:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::vector3&}; _Tp = OpenBabel::vector3; _Alloc = std::allocator<OpenBabel::vector3>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::vector3>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp:1763:
/usr/include/c++/10/bits/stl_vector.h: In function 'void _wrap_OBBuilder_AddRingFragment(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'void _wrap_VectorVector3_size(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'void _wrap_new_VectorVector3__SWIG_3(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::vector3*, std::vector<OpenBabel::vector3> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp:1763:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {const OpenBabel::OBMol&}; _Tp = OpenBabel::OBMol; _Alloc = std::allocator<OpenBabel::OBMol>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<OpenBabel::OBMol>::iterator' changed in GCC 7.1
In file included from /usr/include/c++/10/vector:67,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp:1763:
/usr/include/c++/10/bits/stl_vector.h: In function 'void _wrap_new_VectorOBMol__SWIG_3(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
/usr/include/c++/10/bits/stl_vector.h: In function 'void _wrap_VectorOBMol_size(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/stl_vector.h:1198:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<OpenBabel::OBMol*, std::vector<OpenBabel::OBMol> >' changed in GCC 7.1
 1198 |    _M_realloc_insert(end(), __x);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~
In file included from /usr/include/c++/10/vector:72,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/oberror.h:28,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/math/matrix3x3.h:27,
                 from /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/perl/openbabel-perl.cpp:1763:
/usr/include/c++/10/bits/vector.tcc: In member function 'void std::vector<_Tp, _Alloc>::_M_realloc_insert(std::vector<_Tp, _Alloc>::iterator, _Args&& ...) [with _Args = {double}; _Tp = double; _Alloc = std::allocator<double>]':
/usr/include/c++/10/bits/vector.tcc:426:7: note: parameter passing for argument of type 'std::vector<double>::iterator' changed in GCC 7.1
  426 |       vector<_Tp, _Alloc>::
      |       ^~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBPcharge_AddPartialCharge(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBConformerData_SetEnergies(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBRotationData_SetData(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_VectorDouble_size(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_new_VectorDouble__SWIG_3(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBElectronicTransitionData_SetEDipole(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBGridData_SetValues(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBElectronicTransitionData_SetRotatoryStrengthsVelocity(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBElectronicTransitionData_SetRotatoryStrengthsLength(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBFFParameter__dpar_set(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBElectronicTransitionData_SetData(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBVibrationData_SetData__SWIG_0(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBDOSData_SetData(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBVibrationData_SetData__SWIG_1(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBOrbitalData_LoadClosedShellOrbitals(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBOrbitalData_LoadAlphaOrbitals(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
/usr/include/c++/10/bits/vector.tcc: In function 'void _wrap_OBOrbitalData_LoadBetaOrbitals(PerlInterpreter*, CV*)':
/usr/include/c++/10/bits/vector.tcc:121:21: note: parameter passing for argument of type '__gnu_cxx::__normal_iterator<double*, std::vector<double> >' changed in GCC 7.1
  121 |    _M_realloc_insert(end(), std::forward<_Args>(__args)...);
      |    ~~~~~~~~~~~~~~~~~^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
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/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/rotor.h:580: warning: unbalanced grouping commands
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetraplanar.h:38: warning: multiple use of section label 'Combinations' while adding section, (first occurrence: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/stereo/tetranonplanar.h, line 41)
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/confsearch.cpp:336: warning: documented symbol 'int DiverseConfGen' was not declared or defined.
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/data_utilities.cpp:35: warning: The following parameters of OpenBabel::extract_thermochemistry(OpenBabel::OBMol &mol, bool bVerbose, int *Nsymm, int Nrotbonds, double dbdt, double *temperature, double *DeltaHf0, double *DeltaHfT, double *DeltaGfT, double *DeltaSfT, double *S0T, double *CVT, double *CPT, std::vector< double > &Scomponents, double *ZPVE) are not documented:
  parameter 'Nrotbonds'
  parameter 'dbdt'
  parameter 'CPT'
  parameter 'ZPVE'
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:162: warning: argument 'Unnamed' of command @param is not found in the argument list of OBAtomicHeatOfFormationTable::ParseLine(const char *line)
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:165: warning: The following parameter of OpenBabel::OBAtomicHeatOfFormationTable::ParseLine(const char *line) is not documented:
  parameter 'line'
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:166: warning: argument 'dhof1' of command @param is not found in the argument list of OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T)
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/data.h:178: warning: The following parameter of OpenBabel::OBAtomicHeatOfFormationTable::GetHeatOfFormation(std::string elem, int charge, std::string method, double T, double *dhof0, double *dhofT, double *S0T) is not documented:
  parameter 'dhofT'
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/generic.h:508: warning: argument 'cart' of command @param is not found in the argument list of OBUnitCell::MinimumImageFractional(vector3 frac)
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/generic.h:511: warning: The following parameter of OpenBabel::OBUnitCell::MinimumImageFractional(vector3 frac) is not documented:
  parameter 'frac'
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/rotamer.h:111: warning: documented empty return type of OpenBabel::OBRotamerList::ExpandConformerList
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/text.h:68: warning: argument 'pos' from the argument list of OpenBabel::OBText::GetText has multiple @param documentation sections
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/include/openbabel/text.h:68: warning: argument 'ToInsertOnly' from the argument list of OpenBabel::OBText::GetText has multiple @param documentation sections
make[5]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Built target docs
make[4]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/cmake -E cmake_progress_start /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/CMakeFiles 0
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[2]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   debian/rules override_dh_auto_test
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
BABEL_LIBDIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf \
LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf \
dh_auto_test
	cd builddir && make -j4 test ARGS\+=--verbose ARGS\+=-j4
make[2]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Running tests...
/usr/bin/ctest --force-new-ctest-process --verbose -j4
UpdateCTestConfiguration  from :/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/DartConfiguration.tcl
Parse Config file:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/DartConfiguration.tcl
UpdateCTestConfiguration  from :/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/DartConfiguration.tcl
Parse Config file:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/DartConfiguration.tcl
Test project /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir
Constructing a list of tests
Done constructing a list of tests
Updating test list for fixtures
Added 0 tests to meet fixture requirements
Checking test dependency graph...
Checking test dependency graph end
test 1
        Start   1: test_align_1

1: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aligntest" "1"
1: Environment variables: 
1:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
1:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
1: Test timeout computed to be: 1500
test 2
        Start   2: test_align_2

2: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aligntest" "2"
2: Environment variables: 
2:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
2:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
2: Test timeout computed to be: 1500
test 3
        Start   3: test_align_3

3: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aligntest" "3"
3: Environment variables: 
3:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
3:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
3: Test timeout computed to be: 1500
test 4
        Start   4: test_align_4

4: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aligntest" "4"
4: Environment variables: 
4:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
4:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
4: Test timeout computed to be: 1500
  1/229 Test   #1: test_align_1 .....................   Passed   64.11 sec
test 5
        Start   5: test_align_5

5: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aligntest" "5"
5: Environment variables: 
5:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
5:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
5: Test timeout computed to be: 1500
  2/229 Test   #2: test_align_2 .....................   Passed  103.36 sec
test 6
        Start   6: test_alias_1

6: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aliastest" "1"
6: Environment variables: 
6:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
6:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
6: Test timeout computed to be: 1500
  3/229 Test   #3: test_align_3 .....................   Passed  103.36 sec
test 7
        Start   7: test_automorphism_1

7: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "1"
7: Environment variables: 
7:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
7:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
7: Test timeout computed to be: 1500
  4/229 Test   #4: test_align_4 .....................***Timeout 1499.92 sec

test 8
        Start   8: test_automorphism_2

8: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "2"
8: Environment variables: 
8:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
8:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
8: Test timeout computed to be: 1500
  5/229 Test   #5: test_align_5 .....................***Timeout 1460.83 sec

test 9
        Start   9: test_automorphism_3

9: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "3"
9: Environment variables: 
9:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
9:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
9: Test timeout computed to be: 1500
  6/229 Test   #6: test_alias_1 .....................***Timeout 2082.95 sec

test 10
        Start  10: test_automorphism_4

10: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "4"
10: Environment variables: 
10:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
10:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
10: Test timeout computed to be: 1500
  7/229 Test   #7: test_automorphism_1 ..............***Timeout 2082.95 sec

test 11
        Start  11: test_automorphism_5

11: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "5"
11: Environment variables: 
11:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
11:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
11: Test timeout computed to be: 1500
  8/229 Test   #8: test_automorphism_2 ..............***Timeout 1500.12 sec

test 12
        Start  12: test_automorphism_6

12: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "6"
12: Environment variables: 
12:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
12:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
12: Test timeout computed to be: 1500
  9/229 Test   #9: test_automorphism_3 ..............***Timeout 877.99 sec

test 13
        Start  13: test_automorphism_7

13: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "7"
13: Environment variables: 
13:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
13:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
13: Test timeout computed to be: 1500
 10/229 Test  #10: test_automorphism_4 ..............***Timeout 1500.13 sec

test 14
        Start  14: test_automorphism_8

14: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "8"
14: Environment variables: 
14:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
14:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
14: Test timeout computed to be: 1500
 11/229 Test  #11: test_automorphism_5 ..............***Timeout 1534.56 sec

test 15
        Start  15: test_automorphism_9

15: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "9"
15: Environment variables: 
15:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
15:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
15: Test timeout computed to be: 1500
 12/229 Test  #12: test_automorphism_6 ..............***Timeout 1500.12 sec

test 16
        Start  16: test_automorphism_10

16: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "automorphismtest" "10"
16: Environment variables: 
16:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
16:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
16: Test timeout computed to be: 1500
 13/229 Test  #13: test_automorphism_7 ..............***Timeout 1235.11 sec

test 17
        Start  17: test_builder_1

17: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "1"
17: Environment variables: 
17:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
17:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
17: Test timeout computed to be: 1500
17:  Starting forcefield.sdf
14: Hao, Xu paper, fig. 2: structure 7
16: Hao, Xu paper, fig. 2: structure 9
15: Hao, Xu paper, fig. 2: structure 8
 14/229 Test  #14: test_automorphism_8 ..............   Passed  980.60 sec
test 18
        Start  18: test_builder_2

18: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "2"
18: Environment variables: 
18:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
18:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
18: Test timeout computed to be: 1500
 15/229 Test  #16: test_automorphism_10 .............   Passed  199.59 sec
test 19
        Start  19: test_builder_3

19: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "3"
19: Environment variables: 
19:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
19:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
19: Test timeout computed to be: 1500
 16/229 Test  #15: test_automorphism_9 ..............   Passed  978.90 sec
test 20
        Start  20: test_builder_4

20: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "4"
20: Environment variables: 
20:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
20:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
20: Test timeout computed to be: 1500
19:  SMILES OC1=CC3=C([C@@]2([H])CC[C@@]4(C)[C@](CC[C@@H]4O)([H])[C@@]([H])2[C@H](CCCCCCCCCS(CCCC(F)(F)C(F)(F)F)=O)C3)C=C1
18:  Starting filterset.sdf
20:  SMILES O1C[C@H]2O[C@H]2c2ccc(Oc3c(O)ccc(CCC1=O)c3)cc2
17: 
18: 56
 17/229 Test  #19: test_builder_3 ...................   Passed    1.24 sec
test 21
        Start  21: test_builder_5

21: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "5"
21: Environment variables: 
21:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
21:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
21: Test timeout computed to be: 1500
21:  SMILES N12[C@@H]([C@@H](NC([C@@H](c3ccsc3)C(=O)O)=O)C2=O)SC(C)(C)[C@@-]1C(=O)O
 18/229 Test  #20: test_builder_4 ...................   Passed    1.33 sec
test 22
        Start  22: test_builder_6

22: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "buildertest" "6"
22: Environment variables: 
22:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
22:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
22: Test timeout computed to be: 1500
22:  SMILES OC1(C2=CN(CC3=CC=CC=C3F)N=N2)CCOC1
21: ==============================
21: *** Open Babel Warning  in ParseSmiles
21:   Ignoring stereochemistry. Not enough connections to this atom. 
 19/229 Test  #21: test_builder_5 ...................   Passed    1.73 sec
test 23
        Start  23: test_canonconsistent_1

23: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "canonconsistenttest" "1"
23: Environment variables: 
23:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
23:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
23: Test timeout computed to be: 1500
 20/229 Test  #22: test_builder_6 ...................   Passed    1.63 sec
test 24
        Start  24: test_canonconsistent_2

24: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "canonconsistenttest" "2"
24: Environment variables: 
24:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
24:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
24: Test timeout computed to be: 1500
24: PASSED TESTS: 10/10
 21/229 Test  #24: test_canonconsistent_2 ...........   Passed    0.48 sec
test 25
        Start  25: test_canonconsistent_3

25: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "canonconsistenttest" "3"
25: Environment variables: 
25:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
25:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
25: Test timeout computed to be: 1500
23: PASSED TESTS: 18/18
 22/229 Test  #23: test_canonconsistent_1 ...........   Passed    8.84 sec
test 26
        Start  26: test_canonfragment_1

26: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "canonfragmenttest" "1"
26: Environment variables: 
26:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
26:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
26: Test timeout computed to be: 1500
 23/229 Test  #26: test_canonfragment_1 .............   Passed    0.47 sec
test 27
        Start  27: test_canonstable_1

27: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "canonstabletest" "1"
27: Environment variables: 
27:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
27:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
27: Test timeout computed to be: 1500
25: PASSED TESTS: 20/20
 24/229 Test  #25: test_canonconsistent_3 ...........   Passed   10.71 sec
test 28
        Start  28: test_carspacegroup_1

28: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "carspacegrouptest" "1"
28: Environment variables: 
28:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
28:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
28: Test timeout computed to be: 1500
 25/229 Test  #28: test_carspacegroup_1 .............   Passed    3.20 sec
test 29
        Start  29: test_carspacegroup_2

29: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "carspacegrouptest" "2"
29: Environment variables: 
29:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
29:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
29: Test timeout computed to be: 1500
18: 137
 26/229 Test  #29: test_carspacegroup_2 .............   Passed    3.96 sec
test 30
        Start  30: test_carspacegroup_3

30: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "carspacegrouptest" "3"
30: Environment variables: 
30:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
30:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
30: Test timeout computed to be: 1500
 27/229 Test  #30: test_carspacegroup_3 .............   Passed    4.00 sec
test 31
        Start  31: test_carspacegroup_4

31: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "carspacegrouptest" "4"
31: Environment variables: 
31:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
31:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
31: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
17: /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
17: /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
17: /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
 28/229 Test  #31: test_carspacegroup_4 .............   Passed    4.00 sec
test 32
        Start  32: test_cifspacegroup_1

32: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "1"
32: Environment variables: 
32:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
32:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
32: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
 29/229 Test  #32: test_cifspacegroup_1 .............   Passed    3.67 sec
test 33
        Start  33: test_cifspacegroup_2

33: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "2"
33: Environment variables: 
33:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
33:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
33: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
 30/229 Test  #33: test_cifspacegroup_2 .............   Passed    4.52 sec
test 34
        Start  34: test_cifspacegroup_3

34: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "3"
34: Environment variables: 
34:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
34:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
34: Test timeout computed to be: 1500
 31/229 Test  #34: test_cifspacegroup_3 .............   Passed    0.10 sec
test 35
        Start  35: test_cifspacegroup_4

35: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "4"
35: Environment variables: 
35:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
35:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
35: Test timeout computed to be: 1500
35: ==============================
35: *** Open Babel Warning  in Find
35:   Unknown space group error, please file a bug report.
35: ==============================
35: *** Open Babel Warning  in Do
35:   Converting to P 1 cell using available symmetry transformations.
 32/229 Test  #35: test_cifspacegroup_4 .............   Passed    3.74 sec
test 36
        Start  36: test_cifspacegroup_5

36: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "5"
36: Environment variables: 
36:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
36:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
36: Test timeout computed to be: 1500
18: 135
 33/229 Test  #36: test_cifspacegroup_5 .............   Passed    5.10 sec
test 37
        Start  37: test_cifspacegroup_6

37: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "6"
37: Environment variables: 
37:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
37:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
37: Test timeout computed to be: 1500
 34/229 Test  #37: test_cifspacegroup_6 .............   Passed    3.35 sec
test 38
        Start  38: test_cifspacegroup_7

38: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "7"
38: Environment variables: 
38:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
38:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
38: Test timeout computed to be: 1500
18: 134
 35/229 Test  #38: test_cifspacegroup_7 .............   Passed    3.78 sec
test 39
        Start  39: test_cifspacegroup_8

39: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "8"
39: Environment variables: 
39:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
39:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
39: Test timeout computed to be: 1500
 36/229 Test  #39: test_cifspacegroup_8 .............   Passed    4.01 sec
test 40
        Start  40: test_cifspacegroup_9

40: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "9"
40: Environment variables: 
40:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
40:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
40: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
 37/229 Test  #40: test_cifspacegroup_9 .............   Passed    3.85 sec
test 41
        Start  41: test_cifspacegroup_10

41: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "10"
41: Environment variables: 
41:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
41:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
41: Test timeout computed to be: 1500
18: 133
 38/229 Test  #41: test_cifspacegroup_10 ............   Passed    3.67 sec
test 42
        Start  42: test_cifspacegroup_11

42: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "11"
42: Environment variables: 
42:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
42:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
42: Test timeout computed to be: 1500
18: 129
18: 126
 39/229 Test  #42: test_cifspacegroup_11 ............   Passed    9.26 sec
test 43
        Start  43: test_cifspacegroup_12

43: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "12"
43: Environment variables: 
43:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
43:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
43: Test timeout computed to be: 1500
18: 123
 40/229 Test  #43: test_cifspacegroup_12 ............   Passed    3.59 sec
test 44
        Start  44: test_cifspacegroup_13

44: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cifspacegrouptest" "13"
44: Environment variables: 
44:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
44:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
44: Test timeout computed to be: 1500
 41/229 Test  #44: test_cifspacegroup_13 ............   Passed    1.31 sec
test 45
        Start  45: test_cistrans_1

45: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "1"
45: Environment variables: 
45:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
45:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
45: Test timeout computed to be: 1500
 42/229 Test  #45: test_cistrans_1 ..................   Passed    0.05 sec
test 46
        Start  46: test_cistrans_2

46: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "2"
46: Environment variables: 
46:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
46:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
46: Test timeout computed to be: 1500
 43/229 Test  #46: test_cistrans_2 ..................   Passed    0.05 sec
test 47
        Start  47: test_cistrans_3

47: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "3"
47: Environment variables: 
47:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
47:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
47: Test timeout computed to be: 1500
47: ==============================
47: *** Open Babel Error  in SetConfig
47:   OBCisTransStereo::SetConfig : double bond begin id is invalid.
47: ==============================
47: *** Open Babel Error  in SetConfig
47:   OBCisTransStereo::SetConfig : double bond end id is invalid.
47: ==============================
47: *** Open Babel Error  in SetConfig
47:   OBCisTransStereo::SetConfig : found 0 reference ids, should be 4.
 44/229 Test  #47: test_cistrans_3 ..................   Passed    0.06 sec
test 48
        Start  48: test_cistrans_4

48: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "4"
48: Environment variables: 
48:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
48:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
48: Test timeout computed to be: 1500
 45/229 Test  #48: test_cistrans_4 ..................   Passed    0.05 sec
test 49
        Start  49: test_cistrans_5

49: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "5"
49: Environment variables: 
49:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
49:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
49: Test timeout computed to be: 1500
 46/229 Test  #49: test_cistrans_5 ..................   Passed    0.05 sec
test 50
        Start  50: test_cistrans_6

50: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "6"
50: Environment variables: 
50:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
50:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
50: Test timeout computed to be: 1500
 47/229 Test  #50: test_cistrans_6 ..................   Passed    0.47 sec
test 51
        Start  51: test_cistrans_7

51: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "7"
51: Environment variables: 
51:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
51:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
51: Test timeout computed to be: 1500
 48/229 Test  #51: test_cistrans_7 ..................   Passed    0.47 sec
test 52
        Start  52: test_cistrans_8

52: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "8"
52: Environment variables: 
52:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
52:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
52: Test timeout computed to be: 1500
52: ==============================
52: *** Open Babel Information  in IsOnSameAtom
52:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 49/229 Test  #52: test_cistrans_8 ..................   Passed    0.71 sec
test 53
        Start  53: test_cistrans_9

53: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cistranstest" "9"
53: Environment variables: 
53:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
53:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
53: Test timeout computed to be: 1500
53: ==============================
53: *** Open Babel Information  in IsOnSameAtom
53:   OBCisTransStereo::IsOnSameAtom : Atoms with id1 & id2 don't exist, must be a (deleted) hydrogens.
 50/229 Test  #53: test_cistrans_9 ..................   Passed    0.97 sec
test 54
        Start  54: test_conversion_1

54: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "conversion" "1"
54: Environment variables: 
54:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
54:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
54: Test timeout computed to be: 1500
54: ==============================
54: *** Open Babel Warning  in WriteMolecule
54:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
54: # Unit tests for OBConversion 
54: 1..9
54: ok 1
54: ok 2
54: ok 3
54: ok 4
54: ok 5
54: ok 6
54: ok 7
54: ok 8
 51/229 Test  #54: test_conversion_1 ................   Passed    0.51 sec
test 55
        Start  55: test_graphsym_1

55: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "graphsymtest" "1"
55: Environment variables: 
55:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
55:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
55: Test timeout computed to be: 1500
55: Testing generic smiles <-> canonical smiles
55: smiles: C[C@H](O)N
55: mol1.NumAtoms = 4
55: canSmiles: C[C@H](O)N	
55: mol2.NumAtoms = 4
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: Cl[C@@](CCl)(I)Br
55: mol1.NumAtoms = 6
55: canSmiles: ClC[C@](I)(Br)Cl	
55: mol2.NumAtoms = 6
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: Cl/C=C/F
55: mol1.NumAtoms = 4
55: canSmiles: F/C=C/Cl	
55: mol2.NumAtoms = 4
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
55: mol1.NumAtoms = 19
55: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
55: mol2.NumAtoms = 19
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: O1C=C[C@H]([C@H]1O2)c3c2cc(OC)c4c3OC(=O)C5=C4CCC(=O)5
55: mol1.NumAtoms = 23
55: canSmiles: COc1cc2O[C@@H]3[C@H](c2c2c1c1CCC(=O)c1c(=O)o2)C=CO3	
55: mol2.NumAtoms = 23
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
55: mol1.NumAtoms = 12
55: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
55: mol2.NumAtoms = 12
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
55: mol1.NumAtoms = 23
55: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
55: mol2.NumAtoms = 23
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
55: mol1.NumAtoms = 18
55: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
55: mol2.NumAtoms = 18
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CC[C@H](O1)CC[C@@]12CCCO2
55: mol1.NumAtoms = 11
55: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
55: mol2.NumAtoms = 11
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CN1CCC[C@H]1c2cccnc2
55: mol1.NumAtoms = 12
55: canSmiles: CN1CCC[C@H]1c1cccnc1	
55: mol2.NumAtoms = 12
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
55: mol1.NumAtoms = 17
55: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
55: mol2.NumAtoms = 17
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
55: mol1.NumAtoms = 31
55: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
55: mol2.NumAtoms = 31
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
55: mol1.NumAtoms = 21
55: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
55: mol2.NumAtoms = 21
55: .
55: 
55: Testing generic smiles <-> canonical smiles
55: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
55: mol1.NumAtoms = 11
55: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
55: mol2.NumAtoms = 11
55: .
55: 
 52/229 Test  #55: test_graphsym_1 ..................   Passed    0.58 sec
test 56
        Start  56: test_graphsym_2

56: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "graphsymtest" "2"
56: Environment variables: 
56:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
56:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
56: Test timeout computed to be: 1500
56: Testing generic smiles <-> canonical smiles
56: smiles: Cc1cn(c(=O)[nH]c1=O)[C@H]1C[C@@H]([C@H](O1)CNCc1ccccc1)O
56: mol1.NumAtoms = 24
56: canSmiles: O[C@H]1C[C@@H](O[C@@H]1CNCc1ccccc1)n1cc(C)c(=O)[nH]c1=O	
56: mol2.NumAtoms = 24
56: .
56: 
 53/229 Test  #56: test_graphsym_2 ..................   Passed    0.48 sec
test 57
        Start  57: test_graphsym_3

57: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "graphsymtest" "3"
57: Environment variables: 
57:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
57:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
57: Test timeout computed to be: 1500
57: stereo/razinger_fig3.mol
57: 1: 1
57: 2: 1
57: 3: 1
57: 4: 1
57: 5: 2
57: 6: 2
57: 7: 2
57: 8: 2
57: 9: 3
57: 10: 3
57: 11: 3
57: 12: 3
57: 13: 4
57: 14: 4
57: stereo/razinger_fig7_1.mol
57: 1: 1
57: 2: 5
57: 3: 2
57: 4: 4
57: 5: 3
57: stereo/razinger_fig7_2.mol
57: 1: 4
57: 2: 5
57: 3: 7
57: 4: 6
57: 5: 6
57: 6: 7
57: 7: 5
57: 8: 4
57: 9: 3
57: 10: 3
57: 11: 2
57: 12: 2
57: 13: 1
57: 14: 1
57: stereo/razinger_fig7_3.mol
57: 1: 3
57: 2: 5
57: 3: 1
57: 4: 5
57: 5: 6
57: 6: 3
57: 7: 7
57: 8: 7
57: 9: 2
57: 10: 2
57: 11: 4
57: 12: 4
57: stereo/razinger_fig7_4.mol
57: 1: 7
57: 2: 5
57: 3: 6
57: 4: 6
57: 5: 3
57: 6: 4
57: 7: 1
57: 8: 2
57: 9: 4
57: 10: 3
57: stereo/razinger_fig7_5.mol
57: 1: 4
57: 2: 4
57: 3: 4
57: 4: 5
57: 5: 3
57: 6: 3
57: 7: 3
57: 8: 1
57: 9: 2
57: 10: 1
57: 11: 2
57: 12: 2
57: 13: 1
57: stereo/razinger_fig7_6.mol
57: 1: 3
57: 2: 4
57: 3: 3
57: 4: 3
57: 5: 3
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 2
57: 10: 1
57: 11: 2
57: 12: 1
57: 13: 2
57: stereo/razinger_fig7_7.mol
57: 1: 6
57: 2: 7
57: 3: 5
57: 4: 6
57: 5: 6
57: 6: 1
57: 7: 4
57: 8: 3
57: 9: 2
57: 10: 3
57: 11: 4
57: 12: 3
57: 13: 4
57: stereo/razinger_fig7_8.mol
57: 1: 6
57: 2: 7
57: 3: 5
57: 4: 6
57: 5: 5
57: 6: 1
57: 7: 2
57: 8: 1
57: 9: 2
57: 10: 3
57: 11: 4
57: 12: 3
57: 13: 4
57: stereo/razinger_fig7_9.mol
57: 1: 8
57: 2: 10
57: 3: 9
57: 4: 8
57: 5: 7
57: 6: 5
57: 7: 2
57: 8: 1
57: 9: 6
57: 10: 3
57: 11: 4
57: 12: 3
57: 13: 4
57: stereo/razinger_fig7_10.mol
57: 1: 10
57: 2: 13
57: 3: 11
57: 4: 12
57: 5: 9
57: 6: 5
57: 7: 2
57: 8: 1
57: 9: 6
57: 10: 7
57: 11: 8
57: 12: 3
57: 13: 4
57: stereo/razinger_fig7_11.mol
57: 1: 2
57: 2: 8
57: 3: 1
57: 4: 4
57: 5: 3
57: 6: 4
57: 7: 7
57: 8: 5
57: 9: 5
57: 10: 6
57: 11: 3
57: 12: 7
57: 13: 1
57: 14: 2
57: 15: 6
57: 16: 8
57: 17: 9
57: stereo/razinger_fig7_12.mol
57: 1: 6
57: 2: 16
57: 3: 5
57: 4: 4
57: 5: 7
57: 6: 8
57: 7: 13
57: 8: 11
57: 9: 9
57: 10: 12
57: 11: 3
57: 12: 15
57: 13: 1
57: 14: 2
57: 15: 10
57: 16: 14
57: 17: 17
57: stereo/razinger_fig7_13.mol
57: 1: 4
57: 2: 4
57: 3: 3
57: 4: 2
57: 5: 1
57: 6: 3
57: 7: 1
57: 8: 2
57: 9: 3
57: 10: 2
57: 11: 1
57: 12: 3
57: 13: 2
57: 14: 1
57: stereo/razinger_fig7_14.mol
57: 1: 2
57: 2: 3
57: 3: 4
57: 4: 4
57: 5: 3
57: 6: 1
57: 7: 1
57: stereo/razinger_fig7_15.mol
57: 1: 4
57: 2: 3
57: 3: 5
57: 4: 5
57: 5: 3
57: 6: 2
57: 7: 2
57: 8: 1
57: stereo/razinger_fig7_16.mol
57: 1: 2
57: 2: 3
57: 3: 4
57: 4: 4
57: 5: 3
57: 6: 2
57: 7: 1
57: 8: 1
57: stereo/razinger_fig7_17.mol
57: 1: 3
57: 2: 5
57: 3: 4
57: 4: 5
57: 5: 3
57: 6: 2
57: 7: 1
57: 8: 1
57: stereo/razinger_fig7_18.mol
57: 1: 3
57: 2: 2
57: 3: 2
57: 4: 3
57: 5: 2
57: 6: 2
57: 7: 1
57: 8: 1
57: stereo/razinger_fig7_19.mol
57: 1: 3
57: 2: 4
57: 3: 5
57: 4: 6
57: 5: 5
57: 6: 4
57: 7: 1
57: 8: 2
57: 9: 2
 54/229 Test  #57: test_graphsym_3 ..................   Passed    0.68 sec
test 58
        Start  58: test_graphsym_4

58: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "graphsymtest" "4"
58: Environment variables: 
58:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
58:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
58: Test timeout computed to be: 1500
58: stereo/razinger_fig7_20.mol
58: 1: 3
58: 2: 3
58: 3: 4
58: 4: 5
58: 5: 5
58: 6: 4
58: 7: 1
58: 8: 1
58: 9: 2
58: 10: 2
58: stereo/razinger_fig7_21.mol
58: 1: 4
58: 2: 6
58: 3: 5
58: 4: 7
58: 5: 5
58: 6: 6
58: 7: 2
58: 8: 3
58: 9: 3
58: 10: 1
58: 11: 1
58: stereo/razinger_fig7_22.mol
58: 1: 2
58: 2: 2
58: 3: 2
58: 4: 2
58: 5: 1
58: 6: 1
58: 7: 1
58: 8: 1
58: stereo/razinger_fig7_23.mol
58: 1: 4
58: 2: 3
58: 3: 4
58: 4: 3
58: 5: 1
58: 6: 2
58: 7: 1
58: 8: 2
58: stereo/razinger_fig7_24.mol
58: 1: 4
58: 2: 3
58: 3: 3
58: 4: 4
58: 5: 2
58: 6: 2
58: 7: 1
58: 8: 1
58: stereo/razinger_fig7_25.mol
58: 1: 2
58: 2: 3
58: 3: 4
58: 4: 2
58: 5: 3
58: 6: 3
58: 7: 4
58: 8: 4
58: 9: 1
58: 10: 4
58: 11: 1
58: 12: 1
58: 13: 2
58: 14: 3
58: 15: 2
58: 16: 1
58: stereo/razinger_fig7_26.mol
58: 1: 4
58: 2: 3
58: 3: 3
58: 4: 4
58: 5: 3
58: 6: 3
58: 7: 1
58: 8: 1
58: 9: 2
58: 10: 2
58: 11: 2
58: 12: 2
58: stereo/razinger_fig7_27.mol
58: 1: 6
58: 2: 4
58: 3: 5
58: 4: 8
58: 5: 5
58: 6: 4
58: 7: 7
58: 8: 2
58: 9: 3
58: 10: 1
58: stereo/razinger_fig7_28.mol
58: 1: 2
58: 2: 3
58: 3: 2
58: 4: 3
58: 5: 2
58: 6: 3
58: 7: 1
58: 8: 1
58: 9: 1
58: stereo/razinger_fig7_29.mol
58: 1: 3
58: 2: 5
58: 3: 4
58: 4: 6
58: 5: 4
58: 6: 5
58: 7: 1
58: 8: 1
58: 9: 2
 55/229 Test  #58: test_graphsym_4 ..................   Passed    0.64 sec
test 59
        Start  59: test_graphsym_5

59: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "graphsymtest" "5"
59: Environment variables: 
59:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
59:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
59: Test timeout computed to be: 1500
59: stereo/razinger_fig7_48.mol
59: 1: 2
59: 2: 3
59: 3: 3
59: 4: 2
59: 5: 1
59: 6: 1
59: 7: 2
59: 8: 1
59: 9: 1
59: 10: 2
59: stereo/razinger_fig7_49.mol
59: 1: 5
59: 2: 11
59: 3: 10
59: 4: 7
59: 5: 2
59: 6: 3
59: 7: 6
59: 8: 4
59: 9: 9
59: 10: 8
59: 11: 1
59: stereo/razinger_fig7_50.mol
59: 1: 3
59: 2: 5
59: 3: 5
59: 4: 3
59: 5: 1
59: 6: 1
59: 7: 4
59: 8: 2
59: 9: 4
59: stereo/razinger_fig7_51.mol
59: 1: 3
59: 2: 6
59: 3: 7
59: 4: 5
59: 5: 1
59: 6: 2
59: 7: 4
59: 8: 4
59: 9: 6
59: 10: 7
59: 11: 3
59: 12: 2
59: 13: 1
59: 14: 5
59: stereo/razinger_fig7_52.mol
59: 1: 2
59: 2: 4
59: 3: 4
59: 4: 2
59: 5: 1
59: 6: 1
59: 7: 3
59: 8: 4
59: 9: 4
59: 10: 3
59: 11: 2
59: 12: 1
59: 13: 1
59: 14: 2
59: stereo/razinger_fig7_58.mol
59: 1: 3
59: 2: 2
59: 3: 4
59: 4: 4
59: 5: 5
59: 6: 2
59: 7: 3
59: 8: 3
59: 9: 3
59: 10: 1
59: 11: 1
59: stereo/razinger_fig7_59.mol
59: 1: 2
59: 2: 4
59: 3: 2
59: 4: 3
59: 5: 3
59: 6: 2
59: 7: 3
59: 8: 3
59: 9: 2
59: 10: 1
59: 11: 1
59: 12: 1
59: 13: 1
59: stereo/razinger_fig7_60.mol
59: 1: 3
59: 2: 7
59: 3: 4
59: 4: 5
59: 5: 6
59: 6: 4
59: 7: 5
59: 8: 6
59: 9: 3
59: 10: 2
59: 11: 1
59: 12: 2
59: 13: 1
59: stereo/razinger_fig7_64.mol
59: 1: 4
59: 2: 7
59: 3: 6
59: 4: 8
59: 5: 3
59: 6: 2
59: 7: 4
59: 8: 2
59: 9: 3
59: 10: 8
59: 11: 5
59: 12: 5
59: 13: 1
59: 14: 1
59: stereo/razinger_fig7_69.mol
59: 1: 2
59: 2: 2
59: 3: 2
59: 4: 2
59: 5: 2
59: 6: 2
59: 7: 1
59: 8: 1
59: 9: 1
59: 10: 1
59: 11: 1
59: 12: 1
 56/229 Test  #59: test_graphsym_5 ..................   Passed    0.60 sec
test 60
        Start  60: test_gzip_1

60: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "gziptest" "1"
60: Environment variables: 
60:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
60:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
60: Test timeout computed to be: 1500
60: 
60: # Testing gzip handling...  
 57/229 Test  #60: test_gzip_1 ......................   Passed    1.98 sec
test 61
        Start  61: test_addh_1

61: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "addhtest" "1"
61: Environment variables: 
61:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
61:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
61: Test timeout computed to be: 1500
61: 
61: # Testing addh handling...  
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/3o8g_uff.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/10gs_vww.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/12gs_0hh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/13gs_sas.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/19gs_bsp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a2n_tet.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a42_bzu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a4l_dcf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a4m_prh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a4q_dpc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a4r_gnh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a5h_bba.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a5v_y3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a6v_npc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a6w_nip.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a72_pad.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a7a_adc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a7x_fka.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a82_dnn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1a85_0dy.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1aax_bpm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ab8_fok.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ac8_tmz.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1adb_cnd.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ki7_id2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ki8_bvd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kkf_dpo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kkq_471.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1klk_pmd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1klm_spp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kmh_ttx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kmn_hso.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kms_lih.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kmv_lii.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1knu_ypa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kpe_adw.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kpg_16a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kph_10a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kq0_med.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kqo_dnd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kqu_br4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kru_ipt.sdf
 58/229 Test  #27: test_canonstable_1 ...............   Passed   92.98 sec
test 62
        Start  62: test_implicitH_1

62: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "implicitHtest" "1"
62: Environment variables: 
62:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
62:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
62: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ksn_fxv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ksw_nbs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kvl_cls.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kvl_thn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kvo_oap.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kw1_lg6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kww_mfu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kwx_mfb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ky5_ady.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kyn_ktp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kyw_hfl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kyx_crm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kyy_ini.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kz8_pfe.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1kzn_cbn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l2j_etc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l2s_stc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l3l_lae.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4e_rbz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4f_150.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4g_ncn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4h_ind.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4k_34a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4l_xyd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4m_2ac.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l4n_2af.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5k_1rb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5l_7rp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5m_7ra.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5m_nio.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5o_2mp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l5r_mrd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l6f_pp3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l6g_pdd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l8g_dbd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1l9w_dhs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lbt_t80.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lbx_ipd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lc8_33p.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lca_ump.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lcb_tmp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lcw_shm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ld7_u66.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ld8_u49.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ldc_fmn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lde_fpi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ldo_snr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ldy_cxf.sdf
62: Mol#0, Title 2707, Original atoms vs New atoms: 10 vs 10
62: 
62: Mol#1, Title 167, Original atoms vs New atoms: 16 vs 16
62: 
62: Mol#2, Title 281, Original atoms vs New atoms: 2 vs 2
62: 
62: Mol#3, Title 1419, Original atoms vs New atoms: 54 vs 54
62: 
62: Mol#4, Title 1600, Original atoms vs New atoms: 37 vs 37
62: 
62: Mol#5, Title 5081, Original atoms vs New atoms: 38 vs 38
62: 
62: Mol#6, Title 5726, Original atoms vs New atoms: 32 vs 32
62: 
62: Mol#7, Title 9107, Original atoms vs New atoms: 36 vs 36
62: 
62: Mol#8, Title 9550, Original atoms vs New atoms: 5 vs 5
62: 
62: Mol#9, Title 9863, Original atoms vs New atoms: 2 vs 2
62: 
62: Mol#10, Title 14768, Original atoms vs New atoms: 6 vs 6
62: 
62: Mol#11, Title 14857, Original atoms vs New atoms: 18 vs 18
62: 
62: Mol#12, Title 14858, Original atoms vs New atoms: 19 vs 19
62: 
62: Mol#13, Title 19914, Original atoms vs New atoms: 15 vs 15
62: 
62: Mol#14, Title 20438, Original atoms vs New atoms: 19 vs 19
62: 
62: Mol#15, Title 20939, Original atoms vs New atoms: 12 vs 12
62: 
62: Mol#16, Title 20940, Original atoms vs New atoms: 20 vs 20
62: 
62: Mol#17, Title 21316, Original atoms vs New atoms: 19 vs 19
62: 
62: Mol#18, Title 21317, Original atoms vs New atoms: 13 vs 13
62: 
62: Mol#19, Title 21318, Original atoms vs New atoms: 17 vs 17
62: 
62: Mol#20, Title 21857, Original atoms vs New atoms: 15 vs 15
62: 
62: Mol#21, Title 23356, Original atoms vs New atoms: 22 vs 22
62: 
62: Mol#22, Title 23699, Original atoms vs New atoms: 22 vs 22
62: 
62: Mol#23, Title 24261, Original atoms vs New atoms: 3 vs 3
62: 
62: Mol#24, Title 24530, Original atoms vs New atoms: 4 vs 4
62: 
62: Mol#25, Title 24771, Original atoms vs New atoms: 10 vs 10
62: 
 59/229 Test  #62: test_implicitH_1 .................   Passed    0.63 sec
test 63
        Start  63: test_lssr_1

63: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "lssrtest" "1"
63: Environment variables: 
63:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
63:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
63: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lee_r36.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lel_bh7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lev_cli.sdf
63: Shuffling: aromatics.smi
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lf2_r37.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lf3_eh5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lgt_bp3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lhn_aon.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lhw_esm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1li4_noc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lij_rpp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ljr_gsh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ljt_hdi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lk7_der.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lkd_bp6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lod_mur.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lol_xmp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lpk_cbb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lpp_hds.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lpz_cmb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lqd_cmi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lr8_ihs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lt8_cbh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lv0_ger.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lvk_mnt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lvu_9pp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lw2_u05.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lwv_ang.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lww_brg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lwx_azd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lx6_zam.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1lxc_aym.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ly3_cog.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1ly4_coq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m0n_hcp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m0o_mpm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m0p_elp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m13_hyf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m1o_caa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m2p_hna.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m2q_mnx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m2r_mny.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m48_frg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m49_cmm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m51_tsx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m52_p17.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m5b_bn1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m5c_brh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m5e_am1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m66_bcp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m67_boa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m6w_12h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m78_clz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m79_mq1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m7a_mqu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m7q_dqo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m7y_ppg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m8d_clw.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m8i_5ni.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m9b_ibg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1m9t_ine.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1map_ket.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1maq_pgu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mau_ltn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mbb_eeb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mbx_ybt.sdf
61: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mbz_iot.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mc1_pcx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1md2_233.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mdl_smn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mdr_apg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1me6_ivs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1me7_rvp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1men_gar.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mes_dmp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mfp_idn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mg0_dfb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mk5_btn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mkv_gel.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mlz_tza.sdf
 60/229 Test  #63: test_lssr_1 ......................   Passed    1.31 sec
test 64
        Start  64: test_lssr_2

64: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "lssrtest" "2"
64: Environment variables: 
64:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
64:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
64: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mmb_bat.sdf
64: Shuffling: nci.smi
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mmp_rss.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mmq_rrs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mmr_srs.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mn7_abt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mn9_rtp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mo9_kpc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mog_rbf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mos_agp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mq5_xlc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mq6_xld.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mqd_shi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mqg_iwd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mqh_bwd.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mrs_5hu.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mvn_pco.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mxc_abp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mzc_bne.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mzn_bm6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1mzs_669.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n0t_at1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n0u_so1.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n23_2bn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n24_bp2.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n2v_bdi.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1n7i_ly1.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/1nbe_mlt.sdf
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18: Ethanol
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2e98_b29.sdf
 61/229 Test  #18: test_builder_2 ...................   Passed  129.22 sec
test 65
        Start  65: test_lssr_3

65: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "lssrtest" "3"
65: Environment variables: 
65:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
65:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
65: Test timeout computed to be: 1500
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2e9n_76a.sdf
65: Shuffling: attype.00.smi
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fm0_m98.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fm5_m99.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fmb_lp1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fme_3qc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fmn_4hf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2foy_b30.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fpc_scg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fpt_ilb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fpv_ilc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fpy_ilf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fpz_270.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fq6_p3f.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fqi_ilh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fqo_hyi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fqt_h1d.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fr5_tyu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fsz_oht.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fu9_mp2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fut_h1s.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fv5_541.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fv9_002.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fvc_888.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fvd_lia.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fwy_h64.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fxe_dr7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fxl_2al.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fxs_rda.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fxu_bid.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fyv_w72.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fzc_eop.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fzg_eob.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fzi_dh3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2fzk_eoz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g01_73q.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g0e_cgq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g0g_sp0.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g0h_sp3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1a_5hg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1m_4hg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1n_1ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1o_2ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1q_n9h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1r_3ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1s_4ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g1y_5ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g20_l1a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g21_l1b.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g22_6ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g24_7ig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g27_4lg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g28_tdk.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g2h_p16.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g5n_23m.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g5v_22m.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g6p_hm2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g70_hnt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g70_sam.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g71_fts.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g78_rea.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g7m_an0.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g7y_mo9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g8n_f83.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g8r_n3e.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g8t_mi2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g8x_dtt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g97_dgb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2g9x_nu5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ga2_a19.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gbi_xih.sdf
 62/229 Test  #64: test_lssr_2 ......................   Passed   25.68 sec
test 66
        Start  66: test_lssr_4

66: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "lssrtest" "4"
66: Environment variables: 
66:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
66:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
66: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gc0_pan.sdf
66: Shuffling: rings/tetrahedron.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gc3_m6p.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gc8_885.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gcq_doi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gd8_po1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gdo_12c.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2get_cok.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gfj_vi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gfk_vii.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gfx_pmn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg0_u11.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg2_u12.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg3_u13.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg5_u19.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg7_u14.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg8_u15.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gg9_u16.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ggb_u17.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ggx_npj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gh6_cf3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ghg_a53.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ghl_lib.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ghm_lic.sdf
66: Shuffling: rings/cubane.mdl
66: Shuffling: rings/cubane2.mdl
66: Shuffling: rings/octahedron.mdl
66: Shuffling: rings/bridged1.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2giq_nn2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gir_nn3.sdf
66: Shuffling: rings/fullerene20.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2giu_fbr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gj4_2th.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2glm_scb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2glp_bde.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gm1_2az.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gm9_3th.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gms_p0p.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gmv_un8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gmx_877.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gnh_h52.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2go4_tux.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gpp_1ba.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gqn_blp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gqx_5cl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gru_cak.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gru_exo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2grx_fci.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gsq_gbi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gst_gps.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gtb_azp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gte_va.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gtk_208.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gtm_lid.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gtn_lie.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gu5_nlp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gu8_796.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gv6_730.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gv7_672.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gvd_128.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gvv_di9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gvz_ona.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gwc_bsc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gyi_hya.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gyw_obi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gz7_d3f.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2gz8_f3f.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h02_2un.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h03_3un.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h04_4un.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h0j_urn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h0t_tem.sdf
66: Shuffling: rings/fullerene60.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h26_6pl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h2i_zpg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h3e_6pr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h3w_hc5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h44_7ca.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h4g_694.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h4i_lbt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h4k_509.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h55_dz8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h59_3od.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h5l_3dd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h79_t3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h7j_p15.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h7r_1mz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h8h_h8h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h8m_nei.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h96_893.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h9i_ead.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2h9y_naf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ha6_sck.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ha7_bch.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ha7_etm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hai_pfi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ham_c33.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2har_occ.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2has_c3o.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hb1_512.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hb3_grl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hb7_o1c.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hb8_mvd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hb9_l13.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hbh_xe4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hch_n5a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hck_que.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hdq_c21.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hdr_4a3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hds_4mb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hdu_f12.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hfk_e4h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hfp_nsi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hg1_n5o.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hgz_pbf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hha_3tp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hhn_gnq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hhw_23t.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hiw_7mp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hj4_pnz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hjb_pzm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hk5_1bm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hlv_lik.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hml_pey.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hmm_an3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hmo_3nt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hmp_211.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hnz_pc0.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hog_710.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hp1_ea5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hp2_ke4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hpa_pt3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hs3_fgr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2htu_bcz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hu6_37a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2huw_yvn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hvc_lgd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hvx_drx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hwh_rna.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hwi_vrx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hwq_dry.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hx2_3hx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hx4_4hx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxc_abn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxl_422.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxm_302.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxq_373.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxt_ehm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxu_lfc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hxz_h7j.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hy0_306.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hy8_1st.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hz0_gin.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hzi_jin.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hzn_kin.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2hzy_dhj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i0e_pds.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i0g_i0g.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i0v_6c3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i1m_5cn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i1r_vxr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i2b_cc5.sdf
 63/229 Test  #65: test_lssr_3 ......................   Passed    7.39 sec
test 67
        Start  67: test_lssr_5

67: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "lssrtest" "5"
67: Environment variables: 
67:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
67:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
67: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i2c_dta.sdf
67: Verify LSSR: rings/tetrahedron.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i2d_a2d.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i30_sal.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i3i_618.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i3z_lir.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i40_blz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i47_kgy.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4d_qfi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4g_ua1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4j_drj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4m_psd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4n_5ca.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4q_ua4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i4u_djr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i5c_ip5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i5f_5ip.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i5j_k05.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i5x_ua5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i66_g1r.sdf
67: Verify LSSR: rings/cubane.mdl
67: Verify LSSR: rings/cubane2.mdl
67: Verify LSSR: rings/octahedron.mdl
67: Verify LSSR: rings/bridged1.mdl
67: Verify LSSR: rings/fullerene20.mdl
67: Verify LSSR: rings/fullerene60.mdl
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i66_g2r.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i6a_5i5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i6b_89i.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i6k_ea2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i7d_dur.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i80_g1l.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2i9g_bpi.sdf
 64/229 Test  #67: test_lssr_5 ......................   Passed    0.63 sec
test 68
        Start  68: test_isomorphism_1

68: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "1"
68: Environment variables: 
68:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
68:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
68: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ica_2ic.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ie0_zid.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ieg_fry.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ieh_moy.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iei_frx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iej_s48.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2igx_a1t.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2igy_a2t.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ihq_lg7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ihu_tp8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ihu_tp9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ihv_gva.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iit_872.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iiv_565.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ikg_bto.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ikh_lit.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iki_388.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ikj_393.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iku_liy.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2il2_lix.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ilp_gb5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ilt_nn1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ima_gb4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2imb_ahl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2in6_839.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2inx_ffp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2inz_ohp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2io6_330.sdf
 65/229 Test  #68: test_isomorphism_1 ...............   Passed    0.51 sec
test 69
        Start  69: test_isomorphism_2

69: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "2"
69: Environment variables: 
69:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
69:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
69: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iok_iok.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ipf_ffa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ipo_1ip.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iqd_lpa.sdf
69: testIsomorphism2
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2irv_pgv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2irw_nn4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2is7_2cl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2isf_pac.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iso_gff.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2isp_ggh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2itm_xul.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ito_ire.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2itq_itq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iu3_203.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iux_nxa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iuz_d1h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ivd_acj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ive_twn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ivi_acw.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ivj_bcv.sdf
69: 1
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ivs_ack.sdf
 66/229 Test  #69: test_isomorphism_2 ...............   Passed    0.50 sec
test 70
        Start  70: test_isomorphism_3

70: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "3"
70: Environment variables: 
70:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
70:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
70: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ivu_zd6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iw6_qq2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iwe_2ih.sdf
70: testIsomorphism3
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iwi_hb1.sdf
61: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 8 N
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iws_np4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iwu_np5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2iwx_m1s.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2izk_gll.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2izr_brk.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2izs_brq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2izu_p01.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j08_irf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j14_gni.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j2i_ly4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j2p_sc2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j2u_gsq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j34_gs6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j38_gs5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j3k_hne.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j3q_tfl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j47_gdv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j4a_oef.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j4g_nb1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j4i_gsj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j4z_626.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j51_dki.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j5v_pca.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j5v_rgp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j62_gsz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j6m_aee.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j75_noy.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7c_ide.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7d_gi1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7e_gi2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7f_gi3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7g_gi4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7h_azf.sdf
70: 2
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7t_274.sdf
 67/229 Test  #70: test_isomorphism_3 ...............   Passed    0.50 sec
test 71
        Start  71: test_isomorphism_4

71: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "4"
71: Environment variables: 
71:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
71:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
71: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j7y_e3o.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j94_g15.sdf
71: testIsomorphism4
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j95_gsx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j9f_thv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2j9y_foo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jai_cir.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jaj_d20.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jam_j60.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jau_po4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jav_5z5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jaw_bvp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jb4_a14.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jb8_hkv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jbt_4hp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jc0_699.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jc1_698.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jc6_qpp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jcs_ttp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jcv_ndp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jdr_l20.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jed_lg8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jev_nhq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jew_720.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jey_hlo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jf4_vdm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jff_lk2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jfh_lk1.sdf
71: 2
 68/229 Test  #71: test_isomorphism_4 ...............   Passed    0.52 sec
test 72
        Start  72: test_isomorphism_5

72: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "5"
72: Environment variables: 
72:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
72:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
72: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jfz_003.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jg0_ttz.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jg3_ba2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jgi_ae3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jhg_ibo.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ji6_oxk.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ji7_oxt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ji8_fyn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ji9_tpw.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jid_gvb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jiw_beu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jj3_jj3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jjg_l18.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jjk_r15.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jjo_ey5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jjp_kln.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jk7_bi6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jkh_bi7.sdf
61: Hydrogens added when already greater than MaxBonds 5 vs 4 for atom 6 N
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jkl_brx.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jkm_bii.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jko_bij.sdf
72: 3
72: 1
72: 2
72: 1
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jkq_vg8.sdf
 69/229 Test  #72: test_isomorphism_5 ...............   Passed    0.53 sec
test 73
        Start  73: test_isomorphism_6

73: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "6"
73: Environment variables: 
73:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
73:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
73: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jld_ag1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2jle_i15.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ki5_ac2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2lig_phn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2mas_pir.sdf
73: testAutomorphismMask
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2mbr_epu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nm2_neu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nm3_mpu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nmt_mim.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nmv_nml.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nmx_m25.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nn1_m28.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nn7_m29.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nni_mtk.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nnj_225.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nnl_erd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2no3_859.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2no6_etv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2no7_ldc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2no9_ltt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2noa_3tc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2np6_nea.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2np8_cc3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2npa_mmb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2npf_mou.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nq6_hm4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nq7_hm5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nr9_pqe.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nru_t12.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nsd_4pi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nt7_902.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nta_521.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ntj_p1h.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nuv_2tn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nv7_555.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nvc_ita.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nvd_itb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nw4_8nh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nww_tb1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nx3_1nt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2nz5_226.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o0e_s3p.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o0u_c0m.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o0z_eps.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o2c_g6q.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o2u_738.sdf
73: 4
73: 8
73: 0 1 2 3 4 5 9 8 7 10 11 12 13 
73: 0 1 2 3 4 5 9 8 13 12 11 10 7 
73: 4 3 2 1 0 5 9 8 7 10 11 12 13 
73: 4 3 2 1 0 5 9 8 13 12 11 10 7 
73: 10 7 8 13 12 11 9 2 1 0 5 4 3 
73: 10 7 8 13 12 11 9 2 3 4 5 0 1 
73: 12 13 8 7 10 11 9 2 1 0 5 4 3 
73: 12 13 8 7 10 11 9 2 3 4 5 0 1 
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o3q_cxr.sdf
 70/229 Test  #73: test_isomorphism_6 ...............   Passed    0.52 sec
test 74
        Start  74: test_isomorphism_7

74: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "7"
74: Environment variables: 
74:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
74:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
74: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o3t_cgr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o3u_ngd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o3z_ai7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o4j_vd4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o4r_vd5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o51_fru.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o5d_vr1.sdf
74: testAutomorphismMask2
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o5k_hbm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o65_myf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o7n_2o7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o7o_dxt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2o8h_227.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oae_ail.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oat_pfm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oaz_i96.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2obd_pcw.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2obj_vrv.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oc2_rx3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oci_tyc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oem_1ae.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2of2_547.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2of4_979.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2of8_bni.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2off_off.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ofu_1n9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ofv_242.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2og8_1n8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ogy_c2f.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ogz_u1n.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oh0_2py.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oh4_gig.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oi0_283.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oiq_sti.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oj9_bmi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ojf_4py.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ojg_19a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ojj_82a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ok1_33a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ole_kr2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2olh_cbi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2om9_aja.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2onb_7pa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2onc_sy1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ony_tmj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ooh_ox3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oow_ox4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ooz_ox5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2op9_wr1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opa_fhc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opb_f21.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oph_277.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opm_ni9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opn_suf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opp_hbq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2opy_co9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oqv_ma9.sdf
 71/229 Test  #66: test_lssr_4 ......................   Passed    8.26 sec
test 75
        Start  75: test_isomorphism_8

75: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "8"
75: Environment variables: 
75:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
75:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
75: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2or4_qus.sdf
75: testAutomorphismPreMapping
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2orj_bm3.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oro_228.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2orp_r86.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2orq_msr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2orr_333.sdf
 72/229 Test  #74: test_isomorphism_7 ...............   Passed    0.97 sec
test 76
        Start  76: test_isomorphism_9

76: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "isomorphismtest" "9"
76: Environment variables: 
76:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
76:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
76: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ors_391.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ort_342.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2osc_muh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ot1_n3p.sdf
76: testIsomorphism9
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ouz_c3d.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ov4_aqp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ovv_pfh.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ovy_pfj.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ow3_bim.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ow6_nk1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ow7_nk2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ow9_sp6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oxd_k32.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oxx_k22.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oxy_k17.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oye_im8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oyf_iac.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oyq_n5p.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oyu_ims.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oz0_pyr.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2oz7_ca4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ozr_gg1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p15_ezt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p16_gg2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p1n_cfa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p1s_gfg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p1t_3tn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p1u_4tn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p1v_5tn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p2h_994.sdf
75: 2
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p2i_608.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p33_j07.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p37_m13.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p3l_g3a.sdf
 73/229 Test  #75: test_isomorphism_8 ...............   Passed    0.56 sec
test 77
        Start  77: test_multicml_1

77: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "multicmltest" "1"
77: Environment variables: 
77:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
77:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
77: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p3o_gta.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p3q_gp3.sdf
77: 
77: # Testing handling of multi-molecule cml files...  
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p3t_993.sdf
 74/229 Test  #76: test_isomorphism_9 ...............   Passed    0.50 sec
test 78
        Start  78: test_periodic_1

78: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "periodictest" "1"
78: Environment variables: 
78:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
78:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
78: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p3u_663.sdf
 75/229 Test  #78: test_periodic_1 ..................   Passed    0.05 sec
test 79
        Start  79: test_periodic_2

79: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "periodictest" "2"
79: Environment variables: 
79:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
79:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
79: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p41_g1g.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p4i_mr9.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p4y_c03.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p53_nng.sdf
 76/229 Test  #79: test_periodic_2 ..................   Passed    0.05 sec
test 80
        Start  80: test_periodic_3

80: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "periodictest" "3"
80: Environment variables: 
80:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
80:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
80: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p54_735.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p55_mra.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p59_gg4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p6f_gn8.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p6g_3lp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p71_ihd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p7a_43m.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p7t_1em.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p8b_nsk.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p8o_bva.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p8s_417.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p93_me1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p94_me4.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p95_me5.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p98_ye7.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2p9a_ye6.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2paf_npf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pax_4an.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pbw_doq.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pd3_tcl.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pd4_dcn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pdh_47d.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pe0_39z.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pe1_517.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pe2_464.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pe5_145.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2per_mnb.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pfg_ddd.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pfh_ldt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pg2_k01.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pga_anu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pgl_n1c.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2ph8_35a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2phb_230.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pid_ysa.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pin_leg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pio_2mi.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pit_4hy.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2piy_528.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2piz_606.sdf
 77/229 Test  #80: test_periodic_3 ..................   Passed    0.59 sec
test 81
        Start  81: test_periodic_4

81: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "periodictest" "4"
81: Environment variables: 
81:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
81:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
81: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj0_922.sdf
 78/229 Test  #81: test_periodic_4 ..................   Passed    0.05 sec
test 82
        Start  82: test_regressions_1

82: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "1"
82: Environment variables: 
82:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
82:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
82: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj1_578.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj2_864.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj3_86a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj4_414.sdf
 79/229 Test  #77: test_multicml_1 ..................   Passed    0.89 sec
test 83
        Start  83: test_regressions_221

83: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "221"
83: Environment variables: 
83:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
83:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
83: Test timeout computed to be: 1500
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj5_11b.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj6_059.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj7_235.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj8_17a.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pj9_281.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pja_33z.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/2pjb_983.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6eim_b6e.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6eqp_buw.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6equ_bve.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6esy_tfx.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6evd_byn.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6evf_4lu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/6ezq_c7k.sdf
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61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/7enl_2pg.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/7gch_lpf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/7std_crp.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/7upj_inu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/830c_rs1.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8a3h_idc.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8acn_nic.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8cho_p4c.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8cpa_agf.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8cpp_tcm.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8ico_azt.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/8mht_du.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/966c_rs2.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/9rsa_adu.sdf
61: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/../pdb_ligands_sdf/9xim_xls.sdf
 80/229 Test  #61: test_addh_1 ......................   Passed  257.27 sec
test 84
        Start  84: test_regressions_222

84: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "222"
84: Environment variables: 
84:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
84:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
84: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
17: /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
 81/229 Test  #84: test_regressions_222 .............   Passed   84.19 sec
test 85
        Start  85: test_regressions_223

85: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "223"
85: Environment variables: 
85:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
85:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
85: Test timeout computed to be: 1500
17: /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
17: /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
82: terminate called after throwing an instance of 'std::bad_alloc'
82:   what():  std::bad_alloc
 82/229 Test  #82: test_regressions_1 ...............Subprocess aborted***Exception: 757.66 sec
terminate called after throwing an instance of 'std::bad_alloc'
  what():  std::bad_alloc

test 86
        Start  86: test_regressions_224

86: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "224"
86: Environment variables: 
86:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
86:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
86: Test timeout computed to be: 1500
83: terminate called after throwing an instance of 'std::bad_alloc'
83:   what():  std::bad_alloc
 83/229 Test  #83: test_regressions_221 .............Subprocess aborted***Exception: 1023.46 sec
terminate called after throwing an instance of 'std::bad_alloc'
  what():  std::bad_alloc

test 87
        Start  87: test_regressions_225

87: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "225"
87: Environment variables: 
87:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
87:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
87: Test timeout computed to be: 1500
 84/229 Test  #17: test_builder_1 ...................***Timeout 6493.09 sec
 Starting forcefield.sdf

/Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
/Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
/Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
/Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
/Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
/Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
/Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
/Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
/Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
/Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
/Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
/Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
/Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
/Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
/Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
/Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
/Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr

test 88
        Start  88: test_regressions_226

88: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "226"
88: Environment variables: 
88:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
88:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
88: Test timeout computed to be: 1500
 85/229 Test  #85: test_regressions_223 .............***Timeout 6062.38 sec

test 89
        Start  89: test_regressions_227

89: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "227"
89: Environment variables: 
89:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
89:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
89: Test timeout computed to be: 1500
 86/229 Test  #86: test_regressions_224 .............***Timeout 5591.02 sec

test 90
        Start  90: test_regressions_228

90: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "228"
90: Environment variables: 
90:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
90:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
90: Test timeout computed to be: 1500
 87/229 Test  #87: test_regressions_225 .............***Timeout  28.28 sec

test 91
        Start  91: test_regressions_240

91: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "240"
91: Environment variables: 
91:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
91:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
91: Test timeout computed to be: 1500
88: Rep: 0
88:   0 [H] --> [H] ([H])
88:   1 [H][H] --> [H][H] ([H][H])
88:   2 [HH] --> [HH] ([HH])
88:   3 C --> C (C)
88:   4 [C] --> [C] ([C])
88:   5 [CH] --> [CH] ([CH])
88:   6 [CH3] --> [CH3] ([CH3])
88:   7 [CH4] --> C (C)
88:   8 [CH5] --> [CH5] ([CH5])
88:   9 C[H] --> C (C)
88:   10 [C][H] --> [CH] ([CH])
88:   11 [CH3][H] --> C (C)
88:   12 [CH2]([H])[H] --> C (C)
88:   13 [U][H] --> [UH] ([UH])
88:   14 [UH2] --> [UH2] ([UH2])
88:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
88:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
88:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
88:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
88:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
88:   20 C[H:1] --> C (C)
88:   21 C[2H] --> C[2H] (C[2H])
88:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
88:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
88:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
88:   25 F[I]F --> F[I]F (F[I]F)
88: Rep: 1
88:   0 [H] --> [H] ([H])
88:   1 [H][H] --> [H][H] ([H][H])
88:   2 [HH] --> [HH] ([HH])
88:   3 C --> C (C)
88:   4 [C] --> [C] ([C])
88:   5 [CH] --> [CH] ([CH])
88:   6 [CH3] --> [CH3] ([CH3])
88:   7 [CH4] --> C (C)
88:   8 [CH5] --> [CH5] ([CH5])
88:   9 C[H] --> C[H] (C[H])
88:   10 [C][H] --> [C][H] ([C][H])
88:   11 [CH3][H] --> C[H] (C[H])
88:   12 [CH2]([H])[H] --> C([H])[H] (C([H])[H])
88:   13 [U][H] --> [U][H] ([U][H])
88:   14 [UH2] --> [UH2] ([UH2])
88:   15 [C@@H](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
88:   16 Br[C@@H](Cl)I --> Br[C@@H](Cl)I (Br[C@@H](Cl)I)
88:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
88:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
88:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
88:   20 C[H:1] --> C[H] (C[H])
88:   21 C[2H] --> C[2H] (C[2H])
88:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
88:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
88:   24 c1c[nH]cc1 --> c1c[nH]cc1 (c1c[nH]cc1)
88:   25 F[I]F --> F[I]F (F[I]F)
88: Rep: 2
88:   0 [H] --> [H] ([H])
88:   1 [H][H] --> [H][H] ([H][H])
88:   2 [HH] --> [H][H] ([H][H])
88:   3 C --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   4 [C] --> [C] ([C])
88:   5 [CH] --> [C][H] ([C][H])
88:   6 [CH3] --> [C]([H])([H])[H] ([C]([H])([H])[H])
88:   7 [CH4] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   8 [CH5] --> [C]([H])([H])([H])([H])[H] ([C]([H])([H])([H])([H])[H])
88:   9 C[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   10 [C][H] --> [C][H] ([C][H])
88:   11 [CH3][H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   12 [CH2]([H])[H] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   13 [U][H] --> [U][H] ([U][H])
88:   14 [UH2] --> [U]([H])[H] ([U]([H])[H])
88:   15 [C@@H](Br)(Cl)I --> [C@](Br)(Cl)(I)[H] ([C@](Br)(Cl)(I)[H])
88:   16 Br[C@@H](Cl)I --> Br[C@@](Cl)(I)[H] (Br[C@@](Cl)(I)[H])
88:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
88:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
88:   19 [H][C@@](Br)(Cl)I --> [H][C@@](Br)(Cl)I ([H][C@@](Br)(Cl)I)
88:   20 C[H:1] --> C([H])([H])([H])[H] (C([H])([H])([H])[H])
88:   21 C[2H] --> C([2H])([H])([H])[H] (C([2H])([H])([H])[H])
88:   22 c1ccccc1 --> c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H] (c1(c(c(c(c(c1[H])[H])[H])[H])[H])[H])
88:   23 c1cnccc1 --> c1(c(nc(c(c1[H])[H])[H])[H])[H] (c1(c(nc(c(c1[H])[H])[H])[H])[H])
88:   24 c1c[nH]cc1 --> c1(c(n(c(c1[H])[H])[H])[H])[H] (c1(c(n(c(c1[H])[H])[H])[H])[H])
88:   25 F[I]F --> F[I]F (F[I]F)
88: Rep: 3
88:   0 [H] --> [#1] ([#1])
88:   1 [H][H] --> [#1][#1] ([#1][#1])
88:   2 [HH] --> [#1] ([#1])
88:   3 C --> C (C)
88:   4 [C] --> C (C)
88:   5 [CH] --> C (C)
88:   6 [CH3] --> C (C)
88:   7 [CH4] --> C (C)
88:   8 [CH5] --> C (C)
88:   9 C[H] --> [C!H0] ([C!H0])
88:   10 [C][H] --> [C!H0] ([C!H0])
88:   11 [CH3][H] --> [C!H0] ([C!H0])
88:   12 [CH2]([H])[H] --> [C!H0!H1] ([C!H0!H1])
88:   13 [U][H] --> [U!H0] ([U!H0])
88:   14 [UH2] --> [U] ([U])
88:   15 [C@@H](Br)(Cl)I --> [C](Br)(Cl)I ([C](Br)(Cl)I)
88:   16 Br[C@@H](Cl)I --> Br[C](Cl)I (Br[C](Cl)I)
88:   17 [C@@](F)(Br)(Cl)I --> [C@@](F)(Br)(Cl)I ([C@@](F)(Br)(Cl)I)
88:   18 F[C@@](Br)(Cl)I --> F[C@@](Br)(Cl)I (F[C@@](Br)(Cl)I)
88:   19 [H][C@@](Br)(Cl)I --> [C@@H](Br)(Cl)I ([C@@H](Br)(Cl)I)
88:   20 C[H:1] --> [C!H0] ([C!H0])
88:   21 C[2H] --> C[2#1] (C[2#1])
88:   22 c1ccccc1 --> c1ccccc1 (c1ccccc1)
88:   23 c1cnccc1 --> c1cnccc1 (c1cnccc1)
88:   24 c1c[nH]cc1 --> c1cncc1 (c1cncc1)
88:   25 F[I]F --> FIF (FIF)
 88/229 Test  #88: test_regressions_226 .............   Passed    5.90 sec
test 92
        Start  92: test_regressions_241

92: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "241"
92: Environment variables: 
92:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
92:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
92: Test timeout computed to be: 1500
 89/229 Test  #89: test_regressions_227 .............   Passed   11.43 sec
test 93
        Start  93: test_regressions_242

93: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "242"
93: Environment variables: 
93:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
93:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
93: Test timeout computed to be: 1500
 90/229 Test  #90: test_regressions_228 .............   Passed   11.47 sec
test 94
        Start  94: test_regressions_1794

94: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "1794"
94: Environment variables: 
94:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
94:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
94: Test timeout computed to be: 1500
 91/229 Test  #92: test_regressions_241 .............   Passed    2.85 sec
test 95
        Start  95: test_regressions_2111

95: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "regressionstest" "2111"
95: Environment variables: 
95:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
95:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
95: Test timeout computed to be: 1500
 92/229 Test  #91: test_regressions_240 .............   Passed   14.26 sec
test 96
        Start  96: test_rotor_1

96: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "rotortest" "1"
96: Environment variables: 
96:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
96:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
96: Test timeout computed to be: 1500
 93/229 Test  #94: test_regressions_1794 ............   Passed    2.83 sec
test 97
        Start  97: test_rotor_2

97: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "rotortest" "2"
97: Environment variables: 
97:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
97:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
97: Test timeout computed to be: 1500
 94/229 Test  #96: test_rotor_1 .....................   Passed    0.06 sec
test 98
        Start  98: test_rotor_3

98: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "rotortest" "3"
98: Environment variables: 
98:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
98:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
98: Test timeout computed to be: 1500
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 1).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 2).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 3).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 4).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 5).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 6).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 7).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 8).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 9).
93: ==============================
93: *** Open Babel Warning  in parseAtomRecord
93:   WARNING: Problems reading a PDBQT file
93:   Problems reading a HETATM or ATOM record.
93:   According to the PDBQT specification,
93:   columns 72-76 should contain charge of the atom
93:   but OpenBabel found '      ' (atom 10).
 95/229 Test  #93: test_regressions_242 .............   Passed    3.12 sec
test 99
        Start  99: test_rotor_4

99: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "rotortest" "4"
99: Environment variables: 
99:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
99:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
99: Test timeout computed to be: 1500
95: ==============================
95: *** Open Babel Warning  in InChI code
95:   #1 :Omitted undefined stereo
 96/229 Test  #95: test_regressions_2111 ............   Passed    0.57 sec
test 100
        Start 100: test_shuffle_1

100: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "shuffletest" "1"
100: Environment variables: 
100:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
100:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
100: Test timeout computed to be: 1500
100:  True Shuffling: COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
 97/229 Test  #98: test_rotor_3 .....................   Passed    0.87 sec
test 101
        Start 101: test_shuffle_2

101: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "shuffletest" "2"
101: Environment variables: 
101:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
101:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
101: Test timeout computed to be: 1500
 98/229 Test  #97: test_rotor_2 .....................   Passed    0.94 sec
test 102
        Start 102: test_shuffle_3

102: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "shuffletest" "3"
102: Environment variables: 
102:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
102:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
102: Test timeout computed to be: 1500
101:  True Shuffling: Br.CC(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1SC(=O)CCCCn1ccccc1
102:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
100: ref = COc1cc2c(cc1O)CN1C[C@@H]2c2cc(OC)c(cc2C1)O
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C/c1ccc(cc1)C#N)C(=O)N/N=C\c1ccc(cc1)C#N
100: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: C(C1C=CCCC1)(C(=O)N/N=C\c1ccc(cc1)C#N)C(=O)N/N=C/c1ccc(cc1)C#N
100: ref = N#Cc1ccc(cc1)/C=N/NC(=O)C(C1CCCC=C1)C(=O)N/N=C\c1ccc(cc1)C#N
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
101: ==============================
101: *** Open Babel Warning  in ParseSmiles
101:   Failed to kekulize aromatic SMILES
101: 
100: ==================== start doRoundtrip =========================
101: ref = O=C(Sc1ccccc1C(=O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)C)CCCCN1[CH]C=CC=C1.Br
100: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ref = O[C@@H]1CC[C@@H](CC1)O
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: CC(=O)O.N=C\1/C=C/C(=C(/c2ccc(N)cc2)\c2ccc(N)c(C)c2)/C=C1
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1.CC(=O)O
102: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102:  True Shuffling: O[C@H]1C[C@@H](O)C[C@H](O)C1
102: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: O[C@H]1C[C@@H](O)C[C@@H](O)C1
102: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(NC(=O)c2ccccc2SC(=O)CCCCn2ccccc2)c1
101: ==============================
101: *** Open Babel Warning  in ParseSmiles
101:   Failed to kekulize aromatic SMILES
101: 
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
101: ref = CC(=O)Nc1cccc(c1)S(=O)(=O)c1cccc(c1)NC(=O)c1ccccc1SC(=O)CCCCN1[CH]C=CC=C1.Br
102: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
101: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: CCNc1ccc(cc1)/C(=C/1\C=C/C(=N)/C=C1)/c1ccc(N(CC)CC)c(C)c1
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = CCNc1ccc(cc1)/C(=C/1\C=CC(=N)C=C1)/c1ccc(c(c1)C)N(CC)CC
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
101: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclobutane_D1.smi
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.COc1ccc(cc1)Cn1cccc(O)c1
101: ==============================
101: *** Open Babel Warning  in ParseSmiles
101:   Failed to kekulize aromatic SMILES
101: 
101: ref = COc1ccc(cc1)CN1[CH]C=CC(=C1)O.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@H](N(C)CC1)[C@@]12CC1
101: ref = COc1ccc2c(c1)[C@]13CCCC[C@@H]3[C@@H](C32CC3)N(CC1)C.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCCNCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCCNCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCC[C@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Br.NCCCNCCCC[C@@-]12C3=C4C5=C1[Fe+2]16782345[C-]2C7=C6C1=C82
101: ref = NCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: CC(=O)O.Oc1nc(N)c2nc3c(nc2n1)c1cccc2cccc3c12.OS(=O)(=O)O
101: ref = OS(=O)(=O)O.Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
101: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C12([C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3)OC(=O)C
101: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: [Fe]12345678(C9(C1=C4C3=C29)C=O)C1=C6C7=C5C81
101: ref = O=CC12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: [Fe+2]12345678([C-]9(C1=C7C6=C29)CCCCNCCCCN)C1=C4C5=C3[C-]81.Br
101: ref = NCCCCNCCCC[C-]12C3=C4[Fe+2]5678923(C1=C45)[c-]1c6c8c9c71.Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: O[C@H]1CC[C@@H](O)CC1
101: ref = O[C@@H]1CC[C@@H](CC1)O
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1
101: ref = c1csc(c1)c1nnc(o1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
101: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: CC(=O)OC12[C@@H]3CCC[C@@H]1CCC[C@@H]2CCC3
101: ref = CC(=O)OC12[C@@H]3CCC[C@@H]2CCC[C@H]1CCC3
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
101: ref = C/C(=N/c1ccncc1)/C(=N/c1ccncc1)/C
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: CC(=CCN[C@]12C[C@@H]3C[C@@H](C[C@@H](C3)C2)C1)C
101: ref = CC(=CCN[C@]12C[C@H]3C[C@@H](C2)C[C@@H](C1)C3)C
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: Brc1ccc(nc1)NC(=S)N[C@]12C[C@@H]3C[C@H](C[C@@H](C3)C2)C1
101: ref = S=C(N[C@]12C[C@@H]3C[C@@H](C2)C[C@@H](C1)C3)Nc1ccc(cn1)Br
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: c1ccc2c(c1)[C@H]1[C@@H]3O[C@@H]3[C@@H]2c2ccccc12
101: ref = O1[C@@H]2[C@H]1[C@@H]1c3c([C@H]2c2c1cccc2)cccc3
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C(C/N=C\c1ccccc1)/N=C/c1ccccc1
101: ref = N(=C\c1ccccc1)\CC/N=C/c1ccccc1
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: O=C(CCCC(=O)N/N=C(/C)\c1ccccc1)N/N=C(\C)/c1ccccc1
101: ref = O=C(N/N=C(\c1ccccc1)/C)CCCC(=O)N/N=C(/c1ccccc1)\C
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
101: ref = C/C(=N/c1ccccc1)/C(=N/c1ccccc1)/C
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: OC[C@H](O)COP1(=O)O[Pt@]2(N[C@H]3CCCC[C@@H]3N2)O1
101: ref = OC[C@@H](COP1(=O)O[Pt@]2(O1)N[C@@H]1[C@@H](N2)CCCC1)O
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: n1ccc(cc1)C12C[C@H]3C[C@H](C[C@H](C3)C2)C1
101: ref = C1[C@@H]2C[C@@H]3C[C@H]1CC(C2)(C3)c1ccncc1
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: C12=C3C4=C5[C@H]1[Fe]16782345C2=C6C7=C1C82
101: ref = C12C3=C4[Fe]5678923(C1=C45)C1C6=C8C9=C71
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: CC(=O)O.Oc1nc2nc3c(nc2c(N)n1)c1cccc2cccc3c12
101: ref = Oc1nc2nc3-c4cccc5c4c(-c3nc2c(n1)N)ccc5.CC(=O)O
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/incorrect_canon1.mol
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: C[C@H]1CCCCN1/C=C/1\C(=O)O[C@@](C)(CC)OC1=O
100: ref = CC[C@]1(C)OC(=O)/C(=C\N2CCCC[C@@H]2C)/C(=O)O1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: N=C\1/C=C/C(=C(\c2ccc(N)cc2)/c2ccc(N)c(C)c2)/C=C1
100: ref = N=C1C=C/C(=C(/c2ccc(c(c2)C)N)\c2ccc(cc2)N)/C=C1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: N=C\1/C=C/C(=N\Cc2ccc(N)cc2)/C=C1
100: ref = N=C1C=C/C(=N/Cc2ccc(cc2)N)/C=C1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])[C@H]9C7=C6C5=C89)[C@H]5C3=C2C1=C45.F[B-](F)(F)F
100: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9=C6C7=C5[C@@H]89)C5=C3C2=C1[C@H]45.F[B-](F)(F)F
100: ref = F[B-](F)(F)F.[O+]#C[Fe+]1234(C#[O+])(/C=C/CCCC/C=C/[Fe+]5678(C#[O+])(C#[O+])C9C7=C6C5=C89)C5C3=C2C1=C45
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: c1[14cH]cccc1
100: ref = [14cH]1ccccc1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [14cH]1[14cH]cccc1
100: ref = [14cH]1[14cH]cccc1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [14cH]1[14cH]ccc[14cH]1
100: ref = [14cH]1[14cH]ccc[14cH]1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [14cH]1[14cH]cc[14cH][14cH]1
100: ref = [14cH]1[14cH][14cH]cc[14cH]1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [14cH]1[14cH]c[14cH][14cH][14cH]1
100: ref = [14cH]1[14cH][14cH]c[14cH][14cH]1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: [14cH]1[14cH][14cH][14cH][14cH][14cH]1
100: ref = [14cH]1[14cH][14cH][14cH][14cH][14cH]1
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: stereo/error2.smi
100: ref = N#CC1[C@H]([C@@H]1C#N)C#N.N#CC1[C@H]([C@@H]1C#N)C#N
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ref = O=C(c1ccncn1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
100: ==================== start doRoundtrip =========================
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/razinger_fig7_5_spec.mol
102: ref = O[C@H](CC(C[C@H](F)O)C[C@H](F)O)F
101: ref = CC1CCC2(CC1)CCCCC2
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
101:  True Shuffling: stereo/incorrect_canon2.mol
101: ref = C1CCC2C(C1)CC1(C2)CCC1
101: ==================== start doRoundtrip =========================
101: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ref = Clc1cc(nc(n1)Cl)O[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
 99/229 Test  #99: test_rotor_4 .....................   Passed    5.39 sec
test 103
        Start 103: test_shuffle_4

103: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "shuffletest" "4"
103: Environment variables: 
103:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
103:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
103: Test timeout computed to be: 1500
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ref = OC(=O)[C@@H]1[C@H](c2ccccc2)[C@@H]([C@H]1c1ccccc1)C(=O)O
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclohexanediol_D1.mol
102: ref = O[C@@H]1CC[C@@H](CC1)O
100/229 Test #101: test_shuffle_2 ...................   Passed    4.79 sec
test 104
        Start 104: test_shuffle_5

104: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "shuffletest" "5"
104: Environment variables: 
104:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
104:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
104: Test timeout computed to be: 1500
103:  True Shuffling: stereo/razinger_fig7_19_spec1.mol
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclohexanediol_D2.mol
100: ref = OC(=O)[C@]12[C@@H]3CC[C@H]([C@]2(C(=O)O)[C@@H]2O[C@H]1CC2)O3
102: ref = O[C@@H]1CC[C@H](CC1)O
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclohexanetriol_D1.mol
102: ref = O[C@@H]1C[C@H](O)C[C@@H](C1)O
100: ==================== end doRoundtrip =========================
100: ref = Nc1nc(S)nc(c1)C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@H](C2)C3
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclohexanetriol_D2.mol
100: ==================== start doRoundtrip =========================
102: ref = O[C@@H]1C[C@H](O)C[C@H](C1)O
104:  True Shuffling: stereo/canon1.mol
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = O1[C@@H]2[C@@H]1[C@@H]1O[C@H]1[C@H]1[C@H]([C@@H]3[C@H]2O3)O1
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclobutane_D1.mol
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclobutane_D2.mol
102: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclobutane_D3.mol
102: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/cyclobutane_D4.mol
100: ==================== start doRoundtrip =========================
102: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
100: ==================== end doRoundtrip =========================
100: ref = C1=C[C@H]2[C@@H]1[C@]1(N=N[C@]2(Cc2ccccc2)[C@@H]2[C@H]1C=C2)Cc1ccccc1
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: [C@@H]1([C@H]([C@H]([C@H]1C)C)C)C
102: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@H]1C)C)C)C
102: ref = C[C@@H]1[C@H](C)[C@H]([C@@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = c1ccc2c(c1)O[Cu@]13[N+](=C2)CCC[O+]1[Cu@]12[O+]3CCC[N+]2=Cc2c(O1)cccc2
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: [C@@H]1([C@@H]([C@H]([C@@H]1C)C)C)C
102: ref = C[C@@H]1[C@@H](C)[C@@H]([C@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ref = CN1C[C@@H]2CN(C[C@H](C1)[C@@]2(O)c1ccccc1)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: [C@@H]1([C@@H]([C@@H]([C@H]1C)C)C)C
102: ref = C[C@@H]1[C@H](C)[C@H]([C@H]1C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = C1CCC2N(C1)[C@@H]1CCCCN1[C@@H]1N2CCCC1
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
103: ref = C[C@@H]1[C@@H](C)CCC[C@H]1C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_cis.mol
100: ==================== start doRoundtrip =========================
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_19_spec2.mol
100: ==================== end doRoundtrip =========================
103: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
100: ref = CN1[C@@H]2CC(=O)C[C@H]1[C@H]1C[C@@H]2C1
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_19_spec3.mol
103: ref = C[C@@H]1[C@@H](C)CCC[C@@H]1C
100: ==================== start doRoundtrip =========================
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_19_spec4.mol
100: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ref = CCCCCCCCCCCCCCCCCCSC[C@]12[C@H](COS(=O)(=O)O)[C@@H](COS(=O)(=O)O)[C@H](c3c1cccc3)c1c2cccc1.[NaH]
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_epi.mol
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@H]1C)C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_allo.mol
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@H]([C@H]1C)C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==============================
100: *** Open Babel Warning  in ParseSmiles
100:   Failed to kekulize aromatic SMILES
100: 
100: ref = O=C(c1cc(ccc1O)S(=O)(=O)O)Nc1ccc(cc1)S(=O)(=O)c1ccc(cc1)NC(=O)c1cc(ccc1O)S(=O)(=O)O.CN1[CH]C=CC=C1.[NaH].Cl
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_myo.mol
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_muco.mol
102: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@@H]([C@H]1C)C)C
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: F[Po@SP1](Cl)(Br)I
100: ref = F[Po@SP1](I)(Br)Cl
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: F[Po@SP2](Br)(Cl)I
100: ref = F[Po@SP1](I)(Br)Cl
100: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_neo.mol
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100:  True Shuffling: F[Po@SP3](Cl)(I)Br
100: ref = F[Po@SP1](I)(Br)Cl
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
102: ref = C[C@@H]1[C@H](C)[C@H](C)[C@H]([C@H]([C@H]1C)C)C
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
100: ==================== start doRoundtrip =========================
100: ==================== end doRoundtrip =========================
101/229 Test #100: test_shuffle_1 ...................   Passed    6.05 sec
test 105
        Start 105: test_smiles_1

105: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smilestest" "1"
105: Environment variables: 
105:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
105:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
105: Test timeout computed to be: 1500
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_scyllo.mol
102: ref = C[C@@H]1[C@@H](C)[C@H](C)[C@H]([C@@H]([C@H]1C)C)C
102: ==================== start doRoundtrip =========================
105: testTetrahedralStereo1()
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_chiroD.mol
102: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@H]([C@@H]([C@H]1C)C)C
104: ref = C[C@H](C[C@H](O)C)C[C@@H](O)C	canon1
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon2.mol
104: ref = C[C@@H](C[C@@H](O)C)C[C@@H](O)C	canon2
104: ==================== start doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon3.mol
104: ref = C[C@@H]1CC[C@H](CC1)C	canon3
102: ==================== end doRoundtrip =========================
102:  True Shuffling: stereo/inositol_chiroL.mol
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon4.mol
104: ref = C[C@@H]1CC[C@@H](CC1)C	canon4
102: ref = C[C@@H]1[C@H](C)[C@@H](C)[C@@H]([C@H]([C@H]1C)C)C
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon5.mol
104: ref = C[C@@H]1CC[C@]2(CC1)CC[C@@H](CC2)C	canon5
102: ==================== start doRoundtrip =========================
104: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102:  True Shuffling: O[C@H]1[C@@H](O)[C@H](O)[C@H](O)[C@H](O)[C@H]1O
102: ref = O[C@@H]1[C@H](O)[C@H](O)[C@H]([C@H]([C@H]1O)O)O
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon6.mol
102: ==================== start doRoundtrip =========================
104: ref = C[C@@H]1C[C@H](O)C[C@@H](C1)O	canon6
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon7.mol
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ref = C[C@@H]1C[C@@H](O)C[C@@H](C1)O	canon7
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon8.mol
102: ==================== start doRoundtrip =========================
104: ref = C[C@]12CCCC[C@]2(C)CCCC1	canon8
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon9.mol
102: ==================== start doRoundtrip =========================
102: ==================== end doRoundtrip =========================
102: ==================== start doRoundtrip =========================
104: ref = C[C@@H]([C@@H]1CC[C@H](CC1)C)[C@@H]1CC[C@@H](CC1)C	canon9
102: ==================== end doRoundtrip =========================
104: ==================== start doRoundtrip =========================
102/229 Test #102: test_shuffle_3 ...................   Passed    5.88 sec
test 106
        Start 106: test_smiles_2

106: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smilestest" "2"
106: Environment variables: 
106:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
106:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
106: Test timeout computed to be: 1500
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon10.mol
104: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon10
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon11.mol
104: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1C)C	canon11
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon12.mol
104: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon12
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon13.mol
104: ref = C[C@@H]1[C@H](C)[C@H](C)[C@@H]([C@@H]([C@@H]1C)C)C	canon13
103: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_19_spec5.mol
103: ref = C[C@@H]1[C@H](C)CCC[C@H]1C
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_20_spec1.mol
103: ref = C[C@H]1[C@H](C)CC[C@@H]([C@@H]1C)C
104: ==================== start doRoundtrip =========================
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_26_spec1.mol
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon14.mol
103: ref = C[C@@H]1[C@H](O)[C@@H](O)[C@@H]([C@@H]([C@H]1O)O)C
104: ref = C[C@@H]1[C@H](C)[C@@H]([C@@H]1O)O	canon14
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_59_spec1.mol
104: ==================== start doRoundtrip =========================
103: ref = C[C@@H]1C[C@]2(C[C@H]1C)C[C@H]([C@H](C2)C)C
106: Testing generic smiles <-> canonical smiles
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon15.mol
104: ref = C[C@@H]1[C@H](O)[C@@H]([C@@H]1O)C	canon15
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_30.mol
104: ==================== start doRoundtrip =========================
103: ref = C/C=C/C
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon16.mol
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_34.mol
103: ref = C/C=C/C(/C=C/C)C
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_35.mol
103: ref = C/C=C/C=C/C
104: ref = C[C@@H]1C[C@H](C1)C[C@](C[C@@H]1C[C@@H](C1)C)(C[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)C	canon16
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_36.mol
103: ref = CC(/C=C/C(O)C)O
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_37.mol
103: ref = CCC(C(/C=C/C(C(CC)CC)C)C)CC
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_38.mol
103: ref = CC(/C(=C(\C(F)C)/C(F)C)/C(F)C)F
104: ==================== start doRoundtrip =========================
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103:  True Shuffling: stereo/razinger_fig7_39.mol
103: ref = CC(C(=C=C(C(F)C)C(F)C)C(F)C)F
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon17.mol
103: ==================== start doRoundtrip =========================
103: ==================== end doRoundtrip =========================
103/229 Test #103: test_shuffle_4 ...................   Passed    1.45 sec
test 107
        Start 107: test_smiles_3

107: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smilestest" "3"
107: Environment variables: 
107:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
107:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
107: Test timeout computed to be: 1500
104: ref = C[C@@H]1CC[C@H](CC1)C1CC[C@H](CC1)C[C@H](C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@H](CC1)C)C[C@@H]1CC[C@@H](CC1)[C@@H]1CC[C@@H](CC1)C	canon17
107: Testing generic smiles <-> canonical smiles
105: smiles: C[C@H](O)N
105: OBTetrahedralStereo(center = 1, viewFrom = 0, refs = H 3 2 , clockwise)
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: C[C@H](O)N
105: mol.NumAtoms = 4
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: canSmiles: C[C@H](O)N	
105: mol.NumAtoms = 4
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: Cl[C@@](CCl)(I)Br
105: mol.NumAtoms = 6
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 6, refs = 2 4 5 , clockwise)
105: canSmiles: ClC[C@](I)(Br)Cl	
105: mol.NumAtoms = 6
105: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 4 6 5 , clockwise)
105: .
105: 
105: Testing generic smiles <-> canonical smiles
105: smiles: Cl/C=C/F
105: mol.NumAtoms = 4
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 3, end = 2, refs = 4 H 1 H , shape = U)
105: canSmiles: F/C=C/Cl	
105: mol.NumAtoms = 4
105: Config with symmetry ids: OBCisTransStereo::Config(begin = 2, end = 3, refs = 1 H 4 H , shape = U)
105: .
105: 
104/229 Test #105: test_smiles_1 ....................   Passed    0.67 sec
test 108
        Start 108: test_spectrophore_1

108: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "spectrophoretest" "1"
108: Environment variables: 
108:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
108:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
108: Test timeout computed to be: 1500
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon18.mol
104: ref = CC[C@@](C[C@@H]1C[C@H](C1)C)(C[C@@H]1C[C@@H](C1)C)C	canon18
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon19.mol
104: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon19.mol
104: ref = CC[C@](C[C@@H]1CC[C@H](CC1)C)(C[C@@H]1CC[C@@H](CC1)C)C	canon19
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon20.mol
104: ref = C[C@H](C[C@](C[C@H](Cl)C)(C[C@@H](Cl)C)C[C@@H](O)C)O	canon20
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon21.mol
104: ref = O[C@H](C[C@](C[C@H](C[C@H](O)C)O)(C[C@@H](C[C@H](O)C)O)C[C@@H](C[C@@H](O)C)O)C[C@@H](O)C	canon21
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon22.mol
104: ref = C[C@@H]1[C@@H]([C@@H]1C)C	canon22
106: smiles: F[Po@SP1](Cl)(Br)I
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
106: canSmiles: F[Po@SP1](I)(Br)Cl	
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
106: .
106: 
106: Testing generic smiles <-> canonical smiles
106: smiles: F[Po@SP2](Br)(Cl)I
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
106: canSmiles: F[Po@SP1](I)(Br)Cl	
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
106: .
106: 
106: Testing generic smiles <-> canonical smiles
106: smiles: F[Po@SP3](Cl)(I)Br
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 5 4 3 , shape = U)
106: canSmiles: F[Po@SP1](I)(Br)Cl	
106: mol.NumAtoms = 5
106: Config with symmetry ids: OBSquarePlanarStereo::Config(center = 2, refs = 1 3 4 5 , shape = U)
106: .
106: 
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon23.mol
104: ref = C[C@@H]1[C@H]([C@@H]1C)C	canon23
105/229 Test #106: test_smiles_2 ....................   Passed    0.68 sec
test 109
        Start 109: test_spectrophore_2

109: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "spectrophoretest" "2"
109: Environment variables: 
109:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
109:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
109: Test timeout computed to be: 1500
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon24.mol
104: ref = C[C@]12CCCC[C@@]2(C)CC2(C1)CCC2
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans1.mol
104: ref = C/C=C\C[C@H](C/C=C/C)C
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans2.mol
104: ref = C/C=C/C[C@H](C/C=C/C)C
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans3.mol
104: ref = C/C=C/1\CC/C(=C\C)/CC1
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans4.mol
104: ref = C/C=C/1\CC/C(=C/C)/CC1
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans5.mol
104: ref = C/C=C/1\CC[C@]2(CC1)CC/C(=C\C)/CC2
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans6.mol
104: ref = C/C=C/1\C/C(=C/O)/C/C(=C\O)/C1
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans7.mol
104: ref = C/C=C/1\C/C(=C\O)/C/C(=C\O)/C1
107: smiles: CCC[C@@H](O)CC\C=C\C=C\C#CC#C\C=C\CO
107: mol.NumAtoms = 19
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
107: canSmiles: CCC[C@H](CC/C=C/C=C/C#CC#C/C=C/CO)O	
107: mol.NumAtoms = 19
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 6 5 , clockwise)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 8, end = 9, refs = 7 H 10 H , shape = U)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 9 H 12 H , shape = U)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 16, end = 17, refs = 15 H 18 H , shape = U)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)1
107: mol.NumAtoms = 12
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
107: canSmiles: OC[C@H]1O[C@H](O)[C@@H]([C@H]([C@@H]1O)O)O	
107: mol.NumAtoms = 12
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 10, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 10, refs = H 9 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 10 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 6, refs = H 8 12 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: OC[C@@H](O1)[C@@H](O)[C@H](O)[C@@H]2[C@@H]1c3c(O)c(OC)c(O)cc3C(=O)O2
107: mol.NumAtoms = 23
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: canSmiles: OC[C@H]1O[C@@H]2[C@@H]([C@H]([C@@H]1O)O)OC(=O)c1c2c(O)c(c(c1)O)OC	
107: mol.NumAtoms = 23
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 5, refs = H 9 11 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 8, refs = H 12 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 4 10 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 8, refs = H 3 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 8 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 4, refs = H 10 9 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = H 7 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 9, refs = H 11 5 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CC(=O)OCCC(/C)=C\C[C@H](C(C)=C)CCC=C
107: mol.NumAtoms = 18
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 7, refs = H 4 6 , clockwise)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 11, end = 10, refs = 13 12 7 H , shape = U)
107: canSmiles: C=CCC[C@@H](C(=C)C)C/C=C(\CCOC(=O)C)/C	
107: mol.NumAtoms = 18
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 4, refs = H 6 7 , clockwise)
107: Config with symmetry ids: OBCisTransStereo::Config(begin = 10, end = 11, refs = 7 H 13 12 , shape = U)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CC[C@H](O1)CC[C@@]12CCCO2
104: ==================== start doRoundtrip =========================
107: mol.NumAtoms = 11
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
107: canSmiles: CC[C@H]1CC[C@]2(O1)CCCO2	
107: mol.NumAtoms = 11
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 9 8 5 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 6, refs = 5 9 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = H 4 5 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CN1CCC[C@H]1c2cccnc2
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans8.mol
107: mol.NumAtoms = 12
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
107: canSmiles: CN1CCC[C@H]1c1cccnc1	
107: mol.NumAtoms = 12
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 6, refs = H 7 2 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CC(C)[C@@]12C[C@@H]1[C@@H](C)C(=O)C2
107: mol.NumAtoms = 11
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
107: canSmiles: O=C1C[C@]2([C@@H]([C@H]1C)C2)C(C)C	
107: mol.NumAtoms = 11
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 5, viewFrom = 3, refs = 8 9 7 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 7, viewFrom = 8, refs = H 5 4 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 7, viewFrom = 5, refs = H 4 8 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 5, viewFrom = 9, refs = 7 3 8 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 7, refs = H 6 2 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CC(C)[C@H]1CC[C@]([C@@H]2[C@@H]1C=C(COC2=O)C(=O)O)(CCl)O
107: mol.NumAtoms = 21
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
107: canSmiles: ClC[C@]1(O)CC[C@@H]([C@@H]2[C@@H]1C(=O)OCC(=C2)C(=O)O)C(C)C	
107: mol.NumAtoms = 21
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 6, viewFrom = 3, refs = H 8 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 9, viewFrom = 6, refs = H 10 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 3, viewFrom = 5, refs = 6 4 2 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 7, refs = H 9 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 6, viewFrom = 9, refs = H 3 8 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 9, viewFrom = 10, refs = H 13 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 14, refs = H 7 9 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 3, viewFrom = 2, refs = 6 5 4 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: C(CS[14CH2][14C@@H]1[14C@H]([14C@H]([14CH](O1)O)O)O)[C@@H](C(=O)O)N
107: mol.NumAtoms = 17
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
104: ref = C/C=C/1\CC[C@H](CC1)[C@H]([C@@H]1CC/C(=C\C)/CC1)C
107: canSmiles: N[C@H](C(=O)O)CCS[14CH2][14C@H]1O[14CH]([14C@@H]([14C@@H]1O)O)O	
107: mol.NumAtoms = 17
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 2, viewFrom = 4, refs = H 3 1 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 15, viewFrom = 12, refs = H 17 13 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 12, viewFrom = 15, refs = H 10 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 2, viewFrom = 1, refs = H 4 3 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 10, viewFrom = 9, refs = H 11 12 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 12, viewFrom = 10, refs = H 14 15 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 15, viewFrom = 13, refs = H 12 17 , clockwise)
107: .
107: 
107: Testing generic smiles <-> canonical smiles
107: smiles: CCC[C@@H]1C[C@H](N(C1)C)C(=O)NC([C@@H]2[C@@H]([C@@H]([C@H]([C@H](O2)SC)OP(=O)(O)O)O)O)C(C)Cl
107: mol.NumAtoms = 31
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: canSmiles: CCC[C@H]1CN([C@@H](C1)C(=O)NC([C@H]1O[C@H](SC)[C@@H]([C@H]([C@H]1O)O)OP(=O)(O)O)C(Cl)C)C	
107: mol.NumAtoms = 31
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: Config with symmetry ids: OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 20, viewFrom = 24, refs = H 23 16 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 17, viewFrom = 14, refs = H 22 21 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 22, viewFrom = 17, refs = H 24 25 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 24, viewFrom = 22, refs = H 27 20 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 8, viewFrom = 7, refs = H 6 10 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 24, viewFrom = 20, refs = H 22 27 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 20, viewFrom = 16, refs = H 24 23 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 14, viewFrom = 13, refs = H 16 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 22, viewFrom = 24, refs = H 25 17 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 17, viewFrom = 22, refs = H 21 14 , clockwise)
107: 1 = OBTetrahedralStereo::Config(center = 8, viewFrom = 6, refs = H 10 7 , clockwise)
107: 2 = OBTetrahedralStereo::Config(center = 4, viewFrom = 3, refs = H 5 6 , clockwise)
107: .
107: 
106/229 Test #107: test_smiles_3 ....................   Passed    0.71 sec
test 110
        Start 110: test_spectrophore_3

110: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "spectrophoretest" "3"
110: Environment variables: 
110:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
110:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
110: Test timeout computed to be: 1500
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans9.mol
104: ref = C/C=C/1\C(=C\C)\C1=C/C
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans15.mol
104: ref = C/C=C\C=C\C[C@@](C/C=C\C=C\C)(C/C=C\C=C/C)C/C=C/C=C/C
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
104:  True Shuffling: stereo/canon_cistrans16.mol
104: ref = C/C=C(/[C@@H]1CC[C@H](CC1)C)\[C@@H]1CC[C@@H](CC1)C
107/229 Test #109: test_spectrophore_2 ..............   Passed    0.37 sec
test 111
        Start 111: test_spectrophore_4

111: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "spectrophoretest" "4"
111: Environment variables: 
111:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
111:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
111: Test timeout computed to be: 1500
104: ==================== start doRoundtrip =========================
104: ==================== end doRoundtrip =========================
108/229 Test #104: test_shuffle_5 ...................   Passed    2.28 sec
test 112
        Start 112: test_spectrophore_5

112: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "spectrophoretest" "5"
112: Environment variables: 
112:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
112:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
112: Test timeout computed to be: 1500
109/229 Test #110: test_spectrophore_3 ..............   Passed    0.34 sec
test 113
        Start 113: test_squareplanar_1

113: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "squareplanartest" "1"
113: Environment variables: 
113:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
113:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
113: Test timeout computed to be: 1500
113: end
110/229 Test #113: test_squareplanar_1 ..............   Passed    0.06 sec
test 114
        Start 114: test_squareplanar_2

114: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "squareplanartest" "2"
114: Environment variables: 
114:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
114:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
114: Test timeout computed to be: 1500
114: end
111/229 Test #114: test_squareplanar_2 ..............   Passed    0.06 sec
test 115
        Start 115: test_squareplanar_3

115: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "squareplanartest" "3"
115: Environment variables: 
115:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
115:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
115: Test timeout computed to be: 1500
112/229 Test #112: test_spectrophore_5 ..............   Passed    0.33 sec
test 116
        Start 116: test_squareplanar_4

116: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "squareplanartest" "4"
116: Environment variables: 
116:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
116:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
116: Test timeout computed to be: 1500
115: This error can be ignored
115: ==============================
115: *** Open Babel Error  in SetConfig
115:   OBSquarePlanarStereo::SetConfig : found 0 reference ids, should be 4.
115: end
113/229 Test #115: test_squareplanar_3 ..............   Passed    0.07 sec
test 117
        Start 117: test_squareplanar_5

117: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "squareplanartest" "5"
117: Environment variables: 
117:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
117:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
117: Test timeout computed to be: 1500
116: end
114/229 Test #116: test_squareplanar_4 ..............   Passed    0.05 sec
test 118
        Start 118: test_stereo_1

118: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "1"
118: Environment variables: 
118:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
118:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
118: Test timeout computed to be: 1500
115/229 Test #111: test_spectrophore_4 ..............   Passed    0.46 sec
test 119
        Start 119: test_stereo_2

119: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "2"
119: Environment variables: 
119:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
119:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
119: Test timeout computed to be: 1500
116/229 Test #118: test_stereo_1 ....................   Passed    0.05 sec
test 120
        Start 120: test_stereo_3

120: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "3"
120: Environment variables: 
120:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
120:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
120: Test timeout computed to be: 1500
117: end
117/229 Test #117: test_squareplanar_5 ..............   Passed    0.08 sec
test 121
        Start 121: test_stereo_4

121: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "4"
121: Environment variables: 
121:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
121:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
121: Test timeout computed to be: 1500
118/229 Test #119: test_stereo_2 ....................   Passed    0.07 sec
test 122
        Start 122: test_stereo_5

122: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "5"
122: Environment variables: 
122:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
122:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
122: Test timeout computed to be: 1500
119/229 Test #120: test_stereo_3 ....................   Passed    0.07 sec
test 123
        Start 123: test_stereo_6

123: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereotest" "6"
123: Environment variables: 
123:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
123:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
123: Test timeout computed to be: 1500
120/229 Test #121: test_stereo_4 ....................   Passed    0.09 sec
test 124
        Start 124: test_stereoperception_1

124: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereoperceptiontest" "1"
124: Environment variables: 
124:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
124:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
124: Test timeout computed to be: 1500
121/229 Test #122: test_stereo_5 ....................   Passed    0.07 sec
test 125
        Start 125: test_stereoperception_2

125: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereoperceptiontest" "2"
125: Environment variables: 
125:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
125:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
125: Test timeout computed to be: 1500
123: structure perception1
123: structure perception2
123: structure perception3
123: structure perception4
123: structure perception5
123: structure perception6
123: structure perception7
123: structure perception8
123: structure perception9
123: structure perception10
123: structure perception11
123: structure perception12
123: structure perception13
123: structure perception14
123: structure perception15
123: structure perception16
123: structure perception17
123: structure perception18
123: structure perception19
123: structure perception20
123: Razinger paper, fig. 1: structure a
125: F/C=C/F	
125: 
123: Razinger paper, fig. 1: structure b
123: Razinger paper, fig. 1: structure c
123: Razinger paper, fig. 1: structure d
123: Razinger paper, fig. 1: structure e
123: Razinger paper, fig. 1: structure f
122/229 Test #125: test_stereoperception_2 ..........   Passed    0.51 sec
test 126
        Start 126: test_stereoperception_3

126: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereoperceptiontest" "3"
126: Environment variables: 
126:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
126:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
126: Test timeout computed to be: 1500
123: Razinger paper, fig. 1: structure g
123: Razinger paper, fig. 1: structure h
123: Razinger paper, fig. 1: structure i
123: Razinger paper, fig. 1: structure j
124: N[C@H](F)O	
124: 
123: Razinger paper, fig. 1: structure k
123: Razinger paper, fig. 1: structure l
123/229 Test #124: test_stereoperception_1 ..........   Passed    0.56 sec
test 127
        Start 127: test_stereoperception_4

127: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "stereoperceptiontest" "4"
127: Environment variables: 
127:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
127:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
127: Test timeout computed to be: 1500
123: Razinger paper, fig. 1: structure m
126: F[C@@](I)(Br)Cl	
126: 
126: F[C@H](Br)Cl	
126: 
126: FC(Br)Cl	
126: 
126: FC(Br)Cl	
126: 
124/229 Test #126: test_stereoperception_3 ..........   Passed    0.49 sec
test 128
        Start 128: test_tautomer_1

128: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "1"
128: Environment variables: 
128:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
128:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
128: Test timeout computed to be: 1500
125/229 Test #127: test_stereoperception_4 ..........   Passed    0.51 sec
test 129
        Start 129: test_tautomer_2

129: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "2"
129: Environment variables: 
129:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
129:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
129: Test timeout computed to be: 1500
126/229 Test #129: test_tautomer_2 ..................   Passed    0.71 sec
test 130
        Start 130: test_tautomer_3

130: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "3"
130: Environment variables: 
130:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
130:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
130: Test timeout computed to be: 1500
127/229 Test #128: test_tautomer_1 ..................   Passed    0.81 sec
test 131
        Start 131: test_tautomer_4

131: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "4"
131: Environment variables: 
131:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
131:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
131: Test timeout computed to be: 1500
123: Razinger paper, fig. 1: structure n
123: Razinger paper, fig. 1: structure o
123: Razinger paper, fig. 1: structure p
128/229 Test #123: test_stereo_6 ....................   Passed    2.41 sec
test 132
        Start 132: test_tautomer_5

132: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "5"
132: Environment variables: 
132:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
132:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
132: Test timeout computed to be: 1500
129/229 Test #131: test_tautomer_4 ..................   Passed    0.55 sec
test 133
        Start 133: test_tautomer_6

133: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "6"
133: Environment variables: 
133:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
133:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
133: Test timeout computed to be: 1500
130/229 Test #132: test_tautomer_5 ..................   Passed    0.55 sec
test 134
        Start 134: test_tautomer_7

134: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "7"
134: Environment variables: 
134:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
134:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
134: Test timeout computed to be: 1500
131/229 Test #133: test_tautomer_6 ..................   Passed    0.60 sec
test 135
        Start 135: test_tautomer_8

135: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "8"
135: Environment variables: 
135:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
135:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
135: Test timeout computed to be: 1500
132/229 Test #130: test_tautomer_3 ..................   Passed    1.44 sec
test 136
        Start 136: test_tautomer_9

136: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "9"
136: Environment variables: 
136:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
136:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
136: Test timeout computed to be: 1500
133/229 Test #135: test_tautomer_8 ..................   Passed    0.66 sec
test 137
        Start 137: test_tautomer_10

137: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "10"
137: Environment variables: 
137:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
137:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
137: Test timeout computed to be: 1500
134/229 Test #134: test_tautomer_7 ..................   Passed    0.82 sec
test 138
        Start 138: test_tautomer_11

138: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "11"
138: Environment variables: 
138:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
138:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
138: Test timeout computed to be: 1500
135/229 Test #136: test_tautomer_9 ..................   Passed    0.71 sec
test 139
        Start 139: test_tautomer_12

139: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "12"
139: Environment variables: 
139:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
139:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
139: Test timeout computed to be: 1500
136/229 Test #137: test_tautomer_10 .................   Passed    0.71 sec
test 140
        Start 140: test_tautomer_13

140: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "13"
140: Environment variables: 
140:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
140:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
140: Test timeout computed to be: 1500
137/229 Test #139: test_tautomer_12 .................   Passed    0.54 sec
test 141
        Start 141: test_tautomer_14

141: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "14"
141: Environment variables: 
141:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
141:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
141: Test timeout computed to be: 1500
138/229 Test #138: test_tautomer_11 .................   Passed    0.90 sec
test 142
        Start 142: test_tautomer_15

142: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "15"
142: Environment variables: 
142:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
142:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
142: Test timeout computed to be: 1500
139/229 Test #140: test_tautomer_13 .................   Passed    0.62 sec
test 143
        Start 143: test_tautomer_16

143: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "16"
143: Environment variables: 
143:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
143:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
143: Test timeout computed to be: 1500
140/229 Test #141: test_tautomer_14 .................   Passed    0.56 sec
test 144
        Start 144: test_tautomer_17

144: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "17"
144: Environment variables: 
144:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
144:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
144: Test timeout computed to be: 1500
141/229 Test #108: test_spectrophore_1 ..............   Passed    6.53 sec
test 145
        Start 145: test_tautomer_18

145: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "18"
145: Environment variables: 
145:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
145:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
145: Test timeout computed to be: 1500
142/229 Test #142: test_tautomer_15 .................   Passed    0.68 sec
test 146
        Start 146: test_tautomer_19

146: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "19"
146: Environment variables: 
146:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
146:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
146: Test timeout computed to be: 1500
143/229 Test #144: test_tautomer_17 .................   Passed    0.58 sec
test 147
        Start 147: test_tautomer_20

147: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "20"
147: Environment variables: 
147:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
147:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
147: Test timeout computed to be: 1500
144/229 Test #143: test_tautomer_16 .................   Passed    0.67 sec
test 148
        Start 148: test_tautomer_21

148: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "21"
148: Environment variables: 
148:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
148:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
148: Test timeout computed to be: 1500
145/229 Test #145: test_tautomer_18 .................   Passed    0.70 sec
test 149
        Start 149: test_tautomer_22

149: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "22"
149: Environment variables: 
149:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
149:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
149: Test timeout computed to be: 1500
146/229 Test #146: test_tautomer_19 .................   Passed    0.71 sec
test 150
        Start 150: test_tautomer_23

150: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "23"
150: Environment variables: 
150:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
150:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
150: Test timeout computed to be: 1500
147/229 Test #147: test_tautomer_20 .................   Passed    0.75 sec
test 151
        Start 151: test_tautomer_24

151: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "24"
151: Environment variables: 
151:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
151:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
151: Test timeout computed to be: 1500
148/229 Test #148: test_tautomer_21 .................   Passed    0.80 sec
test 152
        Start 152: test_tautomer_25

152: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "25"
152: Environment variables: 
152:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
152:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
152: Test timeout computed to be: 1500
149: test_runner: ./src/tautomer.cpp:233: void OpenBabel::TautomerImpl::PropagationRAII::assignDonor(OpenBabel::OBAtom*): Assertion `m_hydrogenCounter >= 1' failed.
149/229 Test #149: test_tautomer_22 .................Subprocess aborted***Exception:   0.60 sec
test_runner: ./src/tautomer.cpp:233: void OpenBabel::TautomerImpl::PropagationRAII::assignDonor(OpenBabel::OBAtom*): Assertion `m_hydrogenCounter >= 1' failed.

test 153
        Start 153: test_tautomer_26

153: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "26"
153: Environment variables: 
153:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
153:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
153: Test timeout computed to be: 1500
150/229 Test #150: test_tautomer_23 .................   Passed    0.92 sec
test 154
        Start 154: test_tautomer_27

154: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "27"
154: Environment variables: 
154:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
154:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
154: Test timeout computed to be: 1500
151/229 Test #152: test_tautomer_25 .................   Passed    0.55 sec
test 155
        Start 155: test_tautomer_28

155: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tautomertest" "28"
155: Environment variables: 
155:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
155:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
155: Test timeout computed to be: 1500
152/229 Test #151: test_tautomer_24 .................   Passed    0.80 sec
test 156
        Start 156: test_tetrahedral_1

156: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetrahedraltest" "1"
156: Environment variables: 
156:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
156:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
156: Test timeout computed to be: 1500
153/229 Test #153: test_tautomer_26 .................   Passed    0.78 sec
test 157
        Start 157: test_tetrahedral_2

157: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetrahedraltest" "2"
157: Environment variables: 
157:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
157:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
157: Test timeout computed to be: 1500
154/229 Test #156: test_tetrahedral_1 ...............   Passed    0.10 sec
test 158
        Start 158: test_tetrahedral_3

158: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetrahedraltest" "3"
158: Environment variables: 
158:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
158:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
158: Test timeout computed to be: 1500
157: ==============================
157: *** Open Babel Error  in SetConfig
157:   OBTetrahedralStereo::SetConfig : center atom id is invalid.
157: ==============================
157: *** Open Babel Error  in SetConfig
157:   OBTetrahedralStereo::SetConfig : from/towards atom id is invalid.
157: ==============================
157: *** Open Babel Error  in SetConfig
157:   OBTetrahedralStereo::SetConfig : found 0 reference ids, should be 3.
155/229 Test #157: test_tetrahedral_2 ...............   Passed    0.06 sec
test 159
        Start 159: test_tetrahedral_4

159: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetrahedraltest" "4"
159: Environment variables: 
159:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
159:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
159: Test timeout computed to be: 1500
156/229 Test #158: test_tetrahedral_3 ...............   Passed    0.12 sec
test 160
        Start 160: test_tetrahedral_5

160: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetrahedraltest" "5"
160: Environment variables: 
160:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
160:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
160: Test timeout computed to be: 1500
157/229 Test #159: test_tetrahedral_4 ...............   Passed    0.10 sec
test 161
        Start 161: test_tetranonplanar_1

161: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetranonplanartest" "1"
161: Environment variables: 
161:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
161:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
161: Test timeout computed to be: 1500
154: test_runner: ./src/tautomer.cpp:233: void OpenBabel::TautomerImpl::PropagationRAII::assignDonor(OpenBabel::OBAtom*): Assertion `m_hydrogenCounter >= 1' failed.
158/229 Test #154: test_tautomer_27 .................Subprocess aborted***Exception:   0.55 sec
test_runner: ./src/tautomer.cpp:233: void OpenBabel::TautomerImpl::PropagationRAII::assignDonor(OpenBabel::OBAtom*): Assertion `m_hydrogenCounter >= 1' failed.

test 162
        Start 162: test_tetraplanar_1

162: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "tetraplanartest" "1"
162: Environment variables: 
162:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
162:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
162: Test timeout computed to be: 1500
160: ==============================
160: *** Open Babel Error  in ToConfig
160:   OBTetraNonPlanarStereo::ToConfig : Invalid from in ConfigType struct.
159/229 Test #160: test_tetrahedral_5 ...............   Passed    0.09 sec
test 163
        Start 163: test_uniqueid_1

163: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "uniqueidtest" "1"
163: Environment variables: 
163:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
163:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
163: Test timeout computed to be: 1500
160/229 Test #161: test_tetranonplanar_1 ............   Passed    0.08 sec
test 164
        Start 164: test_uniqueid_2

164: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "uniqueidtest" "2"
164: Environment variables: 
164:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
164:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
164: Test timeout computed to be: 1500
161/229 Test #162: test_tetraplanar_1 ...............   Passed    0.08 sec
test 165
        Start 165: test_maereader_1

165: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "maereadertest" "1"
165: Environment variables: 
165:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
165:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
165: Test timeout computed to be: 1500
162/229 Test #163: test_uniqueid_1 ..................   Passed    0.08 sec
test 166
        Start 166: test_maereader_2

166: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "maereadertest" "2"
166: Environment variables: 
166:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
166:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
166: Test timeout computed to be: 1500
163/229 Test #164: test_uniqueid_2 ..................   Passed    0.08 sec
test 167
        Start 167: test_aromatest_1

167: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "aromatest" "1"
167: Environment variables: 
167:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
167:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
167: Test timeout computed to be: 1500
167: 
167: # Testing aromaticity perception...  
164/229 Test #155: test_tautomer_28 .................   Passed    0.75 sec
test 168
        Start 168: test_atom_1

168: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "atom" "1"
168: Environment variables: 
168:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
168:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
168: Test timeout computed to be: 1500
168: # Unit tests for OBAtom 
165/229 Test #168: test_atom_1 ......................   Passed    0.12 sec
test 169
        Start 169: test_atom_2

169: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "atom" "2"
169: Environment variables: 
169:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
169:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
169: Test timeout computed to be: 1500
169: # Unit tests for OBAtom 
169: 0
169: 4294967295
169: ok 3
166/229 Test #169: test_atom_2 ......................   Passed    0.11 sec
test 170
        Start 170: test_atom_3

170: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "atom" "3"
170: Environment variables: 
170:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
170:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
170: Test timeout computed to be: 1500
170: # Unit tests for OBAtom 
170: 0
170: 255
170: 200
170: 44
170: ok 4
167/229 Test #170: test_atom_3 ......................   Passed    0.10 sec
test 171
        Start 171: test_atom_4

171: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "atom" "4"
171: Environment variables: 
171:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
171:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
171: Test timeout computed to be: 1500
171: # Unit tests for OBAtom 
171: ok 5
171: ok 6
168/229 Test #171: test_atom_4 ......................   Passed    0.08 sec
test 172
        Start 172: test_bond_1

172: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "bond" "1"
172: Environment variables: 
172:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
172:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
172: Test timeout computed to be: 1500
167: ok 1
167: ok 2
167: ok 3
167: ok 4
167: ok 5
167: ok 6
167: ok 7
167: ok 8
167: ok 9
167: ok 10
167: ok 11
167: ok 12
167: ok 13
167: ok 14
167: ok 15
167: ok 16
167: ok 17
167: ok 18
167: ok 19
167: ok 20
167: ok 21
167: ok 22
167: ok 23
167: ok 24
167: ok 25
167: ok 26
167: ok 27
167: ok 28
167: ok 29
167: ok 30
167: ok 31
167: ok 32
167: ok 33
167: ok 34
167: ok 35
167: ok 36
167: ok 37
167: ok 38
167: ok 39
167: ok 40
167: ok 41
167: ok 42
167: ok 43
167: ok 44
167: ok 45
167: ok 46
167: ok 47
167: ok 48
167: ok 49
167: ok 50
167: ok 51
167: ok 52
167: ok 53
167: ok 54
167: ok 55
167: ok 56
167: ok 57
167: ok 58
167: ok 59
167: ok 60
167: ok 61
167: ok 62
167: ok 63
167: ok 64
167: ok 65
167: ok 66
167: ok 67
167: ok 68
167: ok 69
167: ok 70
167: ok 71
167: ok 72
167: ok 73
167: ok 74
167: ok 75
167: ok 76
167: ok 77
167: ok 78
167: ok 79
167: ok 80
167: ok 81
167: ok 82
167: ok 83
167: ok 84
167: ok 85
167: ok 86
167: ok 87
167: ok 88
167: ok 89
167: ok 90
167: ok 91
167: ok 92
167: ok 93
167: ok 94
167: ok 95
167: ok 96
167: ok 97
167: ok 98
167: ok 99
167: ok 100
167: ok 101
167: ok 102
167: ok 103
167: ok 104
167: ok 105
167: ok 106
167: ok 107
167: ok 108
167: ok 109
167: ok 110
167: ok 111
167: ok 112
167: ok 113
167: ok 114
167: ok 115
167: ok 116
167: ok 117
167: ok 118
167: ok 119
167: ok 120
167: ok 121
167: ok 122
167: ok 123
167: ok 124
167: ok 125
167: ok 126
167: ok 127
167: ok 128
167: ok 129
167: ok 130
167: ok 131
167: ok 132
167: ok 133
167: ok 134
167: ok 135
167: ok 136
167: ok 137
167: ok 138
167: ok 139
167: ok 140
167: ok 141
167: ok 142
167: ok 143
167: ok 144
167: ok 145
167: ok 146
167: ok 147
167: ok 148
167: ok 149
167: ok 150
167: ok 151
167: ok 152
167: ok 153
167: ok 154
167: ok 155
167: ok 156
167: ok 157
167: ok 158
167: ok 159
167: ok 160
167: ok 161
167: ok 162
167: ok 163
167: ok 164
167: ok 165
167: ok 166
167: ok 167
167: ok 168
167: ok 169
167: ok 170
167: ok 171
167: ok 172
167: ok 173
167: ok 174
167: ok 175
167: ok 176
167: ok 177
167: ok 178
167: ok 179
167: ok 180
167: ok 181
167: ok 182
167: ok 183
167: ok 184
167: ok 185
167: ok 186
167: ok 187
167: ok 188
167: ok 189
167: ok 190
167: ok 191
167: ok 192
167: ok 193
167: ok 194
167: ok 195
167: ok 196
167: ok 197
167: ok 198
167: ok 199
167: ok 200
167: ok 201
167: ok 202
167: ok 203
167: ok 204
167: ok 205
167: ok 206
167: ok 207
167: ok 208
167: ok 209
167: ok 210
167: ok 211
167: ok 212
167: ok 213
167: ok 214
167: ok 215
167: ok 216
167: ok 217
167: ok 218
167: ok 219
167: ok 220
167: ok 221
167: ok 222
167: ok 223
167: ok 224
167: ok 225
167: ok 226
167: ok 227
167: ok 228
167: ok 229
167: ok 230
167: ok 231
167: ok 232
167: ok 233
167: ok 234
167: ok 235
167: ok 236
167: ok 237
167: ok 238
167: ok 239
167: ok 240
167: ok 241
167: ok 242
167: ok 243
167: ok 244
167: ok 245
167: ok 246
167: ok 247
167: ok 248
167: ok 249
167: ok 250
167: ok 251
167: ok 252
167: ok 253
167: ok 254
167: ok 255
167: ok 256
167: ok 257
167: ok 258
167: ok 259
167: ok 260
167: ok 261
167: ok 262
167: ok 263
167: ok 264
167: ok 265
167: ok 266
167: ok 267
167: ok 268
167: ok 269
167: ok 270
167: ok 271
167: ok 272
167: ok 273
167: ok 274
167: ok 275
167: ok 276
167: ok 277
167: ok 278
167: ok 279
167: ok 280
167: ok 281
167: ok 282
167: ok 283
167: ok 284
167: ok 285
167: ok 286
167: ok 287
167: ok 288
167: ok 289
167: ok 290
167: ok 291
167: ok 292
167: ok 293
167: ok 294
167: ok 295
167: ok 296
167: ok 297
167: ok 298
167: ok 299
167: ok 300
167: ok 301
167: ok 302
167: ok 303
167: ok 304
167: ok 305
167: ok 306
167: ok 307
167: ok 308
167: ok 309
167: ok 310
167: ok 311
167: ok 312
167: ok 313
167: ok 314
167: ok 315
167: ok 316
167: ok 317
167: ok 318
167: ok 319
167: ok 320
167: ok 321
167: ok 322
167: ok 323
167: ok 324
167: ok 325
167: ok 326
167: ok 327
167: ok 328
167: ok 329
167: ok 330
167: ok 331
167: ok 332
167: ok 333
167: ok 334
167: ok 335
167: ok 336
167: ok 337
167: ok 338
167: ok 339
167: ok 340
167: ok 341
167: ok 342
167: ok 343
167: ok 344
167: ok 345
167: ok 346
167: ok 347
167: ok 348
167: ok 349
167: ok 350
167: ok 351
167: ok 352
167: ok 353
167: ok 354
167: ok 355
167: ok 356
167: ok 357
167: ok 358
167: ok 359
167: ok 360
167: ok 361
167: ok 362
167: ok 363
167: ok 364
167: ok 365
167: ok 366
167: ok 367
167: ok 368
167: ok 369
167: ok 370
167: ok 371
167: ok 372
167: ok 373
167: ok 374
167: ok 375
167: ok 376
167: ok 377
167: ok 378
167: ok 379
167: ok 380
167: ok 381
167: ok 382
167: ok 383
167: ok 384
167: ok 385
167: ok 386
167: ok 387
167: ok 388
167: ok 389
167: ok 390
167: ok 391
167: ok 392
167: ok 393
167: ok 394
167: ok 395
167: ok 396
167: ok 397
167: ok 398
167: ok 399
167: ok 400
167: ok 401
167: ok 402
167: ok 403
167: ok 404
167: ok 405
167: ok 406
167: ok 407
167: ok 408
167: ok 409
167: ok 410
167: ok 411
167: ok 412
167: ok 413
167: ok 414
167: ok 415
167: ok 416
167: ok 417
167: ok 418
167: ok 419
167: ok 420
167: ok 421
167: ok 422
167: ok 423
167: ok 424
167: ok 425
167: ok 426
167: ok 427
167: ok 428
167: ok 429
167: ok 430
167: ok 431
167: ok 432
167: ok 433
167: ok 434
167: ok 435
167: ok 436
167: ok 437
167: ok 438
167: ok 439
167: ok 440
167: ok 441
167: ok 442
167: ok 443
167: ok 444
167: ok 445
167: ok 446
167: ok 447
167: ok 448
167: ok 449
167: ok 450
167: ok 451
167: ok 452
167: ok 453
167: ok 454
167: ok 455
167: ok 456
167: ok 457
167: ok 458
167: ok 459
167: ok 460
167: ok 461
167: ok 462
167: ok 463
167: ok 464
167: ok 465
167: ok 466
167: ok 467
167: ok 468
167: ok 469
167: ok 470
167: ok 471
167: ok 472
167: ok 473
167: ok 474
167: ok 475
167: ok 476
167: ok 477
167: ok 478
167: ok 479
167: ok 480
167: ok 481
167: ok 482
167: ok 483
167: ok 484
167: ok 485
167: ok 486
167: ok 487
167: ok 488
167: ok 489
167: ok 490
167: ok 491
167: ok 492
167: ok 493
167: ok 494
167: ok 495
167: ok 496
167: ok 497
167: ok 498
167: ok 499
167: ok 500
167: ok 501
167: ok 502
167: ok 503
167: ok 504
167: ok 505
167: ok 506
167: ok 507
167: ok 508
167: ok 509
167: ok 510
167: ok 511
167: ok 512
167: ok 513
167: ok 514
167: ok 515
167: ok 516
167: ok 517
167: ok 518
167: ok 519
167: ok 520
167: ok 521
167: ok 522
167: ok 523
167: ok 524
167: ok 525
167: ok 526
167: ok 527
167: ok 528
167: ok 529
167: ok 530
167: ok 531
167: ok 532
167: ok 533
167: ok 534
167: ok 535
167: ok 536
167: ok 537
167: ok 538
167: ok 539
167: ok 540
167: ok 541
167: ok 542
167: ok 543
167: ok 544
167: ok 545
167: ok 546
167: ok 547
167: ok 548
167: ok 549
167: ok 550
167: ok 551
167: ok 552
167: ok 553
167: ok 554
167: ok 555
167: ok 556
167: ok 557
167: ok 558
167: ok 559
167: ok 560
167: ok 561
167: ok 562
167: ok 563
167: ok 564
167: ok 565
167: ok 566
167: ok 567
167: ok 568
167: ok 569
167: ok 570
167: ok 571
167: ok 572
167: ok 573
167: ok 574
167: ok 575
167: ok 576
167: ok 577
167: ok 578
167: ok 579
167: ok 580
167: ok 581
167: ok 582
167: ok 583
167: ok 584
167: ok 585
167: ok 586
167: ok 587
167: ok 588
167: ok 589
167: ok 590
167: ok 591
167: ok 592
167: ok 593
167: ok 594
167: ok 595
167: ok 596
167: ok 597
167: ok 598
167: ok 599
167: ok 600
167: ok 601
167: ok 602
167: ok 603
167: ok 604
167: ok 605
167: ok 606
167: ok 607
167: ok 608
167: ok 609
167: ok 610
167: ok 611
167: ok 612
167: ok 613
167: ok 614
167: ok 615
167: ok 616
167: ok 617
167: ok 618
167: ok 619
167: ok 620
167: ok 621
167: ok 622
167: ok 623
167: ok 624
167: ok 625
167: ok 626
167: ok 627
167: ok 628
167: ok 629
167: ok 630
167: ok 631
167: ok 632
167: ok 633
167: ok 634
167: ok 635
167: ok 636
167: ok 637
167: ok 638
167: ok 639
167: ok 640
167: ok 641
167: ok 642
167: ok 643
167: ok 644
167: ok 645
167: ok 646
167: ok 647
167: ok 648
167: ok 649
167: ok 650
167: ok 651
167: ok 652
167: ok 653
167: ok 654
167: ok 655
167: ok 656
167: ok 657
167: ok 658
167: ok 659
167: ok 660
167: ok 661
167: ok 662
167: ok 663
167: ok 664
167: ok 665
167: ok 666
167: ok 667
167: ok 668
167: ok 669
167: ok 670
167: ok 671
167: ok 672
167: ok 673
167: ok 674
167: ok 675
167: ok 676
167: ok 677
167: ok 678
167: ok 679
167: ok 680
167: ok 681
167: ok 682
167: ok 683
167: ok 684
167: ok 685
167: ok 686
167: ok 687
167: ok 688
167: ok 689
167: ok 690
167: ok 691
167: ok 692
167: ok 693
167: ok 694
167: ok 695
167: ok 696
167: ok 697
167: ok 698
167: ok 699
167: ok 700
167: ok 701
167: ok 702
167: ok 703
167: ok 704
167: ok 705
167: ok 706
167: ok 707
167: ok 708
167: ok 709
167: ok 710
169/229 Test #167: test_aromatest_1 .................   Passed    0.67 sec
test 173
        Start 173: test_cansmi_1

173: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cansmi" "1"
173: Environment variables: 
173:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
173:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
173: Test timeout computed to be: 1500
170/229 Test #166: test_maereader_2 .................   Passed    0.70 sec
test 174
        Start 174: test_charge_mmff94_1

174: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "charge_mmff94" "1"
174: Environment variables: 
174:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
174:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
174: Test timeout computed to be: 1500
172: # Unit tests for OBBond 
172: ok 3
171/229 Test #165: test_maereader_1 .................   Passed    0.75 sec
test 175
        Start 175: test_charge_gasteiger_1

175: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "charge_gasteiger" "1"
175: Environment variables: 
175:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
175:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
175: Test timeout computed to be: 1500
172/229 Test #172: test_bond_1 ......................   Passed    0.12 sec
test 176
        Start 176: test_datatest_1

176: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "datatest" "1"
176: Environment variables: 
176:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
176:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
176: Test timeout computed to be: 1500
173: 
174: # Testing MMFF94 Charge Model...
175: # Testing GASTEIGER Charge Model...
176: # Unit tests for data tables 
176: 1..2
176: ok 1
176: ok 2
173/229 Test #176: test_datatest_1 ..................   Passed    0.13 sec
test 177
        Start 177: test_ffgaff_1

177: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffgaff" "1"
177: Environment variables: 
177:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
177:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
177: Test timeout computed to be: 1500
177: # Testing GAFF Force Field...
173: # Testing Canonical SMILES Generation ...  
173: ok 1 # number of heavy atoms match
173: ok 2 # number of heavy atoms match
173: ok 3 # number of heavy atoms match
173: ok 4 # number of heavy atoms match
173: ok 5 # number of heavy atoms match
173: ok 6 # number of heavy atoms match
173: ok 7 # number of heavy atoms match
173: ok 8 # number of heavy atoms match
173: ok 9 # number of heavy atoms match
173: ok 10 # number of heavy atoms match
173: ok 11 # number of heavy atoms match
173: ok 12 # number of heavy atoms match
173: ok 13 # number of heavy atoms match
173: ok 14 # number of heavy atoms match
173: ok 15 # number of heavy atoms match
173: ok 16 # number of heavy atoms match
173: ok 17 # number of heavy atoms match
173: ok 18 # number of heavy atoms match
173: ok 19 # number of heavy atoms match
173: ok 20 # number of heavy atoms match
173: ok 21 # number of heavy atoms match
173: ok 22 # number of heavy atoms match
173: ok 23 # number of heavy atoms match
173: ok 24 # number of heavy atoms match
173: ok 25 # number of heavy atoms match
173: ok 26 # number of heavy atoms match
173: ok 27 # number of heavy atoms match
173: ok 28 # number of heavy atoms match
173: ok 29 # number of heavy atoms match
173: ok 30 # number of heavy atoms match
173: ok 31 # number of heavy atoms match
173: ok 32 # number of heavy atoms match
173: ok 33 # number of heavy atoms match
173: ok 34 # number of heavy atoms match
173: ok 35 # number of heavy atoms match
173: ok 36 # number of heavy atoms match
173: ok 37 # number of heavy atoms match
173: ok 38 # number of heavy atoms match
173: ok 39 # number of heavy atoms match
173: ok 40 # number of heavy atoms match
173: ok 41 # number of heavy atoms match
173: ok 42 # number of heavy atoms match
173: ok 43 # number of heavy atoms match
173: ok 44 # number of heavy atoms match
173: ok 45 # number of heavy atoms match
173: ok 46 # number of heavy atoms match
173: ok 47 # number of heavy atoms match
173: ok 48 # number of heavy atoms match
173: ok 49 # number of heavy atoms match
173: ok 50 # number of heavy atoms match
173: ok 51 # number of heavy atoms match
173: ok 52 # number of heavy atoms match
173: ok 53 # number of heavy atoms match
173: ok 54 # number of heavy atoms match
173: ok 55 # number of heavy atoms match
173: ok 56 # number of heavy atoms match
173: ok 57 # number of heavy atoms match
173: ok 58 # number of heavy atoms match
173: ok 59 # number of heavy atoms match
173: ok 60 # number of heavy atoms match
173: ok 61 # number of heavy atoms match
173: ok 62 # number of heavy atoms match
173: ok 63 # number of heavy atoms match
173: ok 64 # number of heavy atoms match
173: ok 65 # number of heavy atoms match
173: ok 66 # number of heavy atoms match
173: ok 67 # number of heavy atoms match
173: ok 68 # number of heavy atoms match
173: ok 69 # number of heavy atoms match
173: ok 70 # number of heavy atoms match
173: ok 71 # number of heavy atoms match
173: ok 72 # number of heavy atoms match
173: ok 73 # number of heavy atoms match
173: ok 74 # number of heavy atoms match
173: ok 75 # number of heavy atoms match
173: ok 76 # number of heavy atoms match
173: ok 77 # number of heavy atoms match
173: ok 78 # number of heavy atoms match
173: ok 79 # number of heavy atoms match
173: ok 80 # number of heavy atoms match
173: ok 81 # number of heavy atoms match
173: ok 82 # number of heavy atoms match
173: ok 83 # number of heavy atoms match
173: ok 84 # number of heavy atoms match
173: ok 85 # number of heavy atoms match
173: ok 86 # number of heavy atoms match
173: ok 87 # number of heavy atoms match
173: ok 88 # number of heavy atoms match
173: ok 89 # number of heavy atoms match
173: ok 90 # number of heavy atoms match
173: ok 91 # number of heavy atoms match
173: ok 92 # number of heavy atoms match
173: ok 93 # number of heavy atoms match
173: ok 94 # number of heavy atoms match
173: ok 95 # number of heavy atoms match
173: ok 96 # number of heavy atoms match
173: ok 97 # number of heavy atoms match
173: ok 98 # number of heavy atoms match
173: ok 99 # number of heavy atoms match
173: ok 100 # number of heavy atoms match
173: ok 101 # number of heavy atoms match
173: ok 102 # number of heavy atoms match
173: ok 103 # number of heavy atoms match
173: ok 104 # number of heavy atoms match
173: ok 105 # number of heavy atoms match
173: ok 106 # number of heavy atoms match
173: ok 107 # number of heavy atoms match
173: ok 108 # number of heavy atoms match
173: ok 109 # number of heavy atoms match
173: ok 110 # number of heavy atoms match
173: ok 111 # number of heavy atoms match
173: ok 112 # number of heavy atoms match
173: ok 113 # number of heavy atoms match
173: ok 114 # number of heavy atoms match
173: ok 115 # number of heavy atoms match
173: ok 116 # number of heavy atoms match
173: ok 117 # number of heavy atoms match
173: ok 118 # number of heavy atoms match
173: ok 119 # number of heavy atoms match
173: ok 120 # number of heavy atoms match
173: ok 121 # number of heavy atoms match
173: ok 122 # number of heavy atoms match
173: ok 123 # number of heavy atoms match
173: ok 124 # number of heavy atoms match
173: ok 125 # number of heavy atoms match
173: ok 126 # number of heavy atoms match
173: ok 127 # number of heavy atoms match
173: ok 128 # number of heavy atoms match
173: ok 129 # number of heavy atoms match
173: ok 130 # number of heavy atoms match
173: ok 131 # number of heavy atoms match
173: ok 132 # number of heavy atoms match
173: ok 133 # number of heavy atoms match
173: ok 134 # number of heavy atoms match
173: ok 135 # number of heavy atoms match
173: ok 136 # number of heavy atoms match
173: ok 137 # number of heavy atoms match
173: ok 138 # number of heavy atoms match
173: ok 139 # number of heavy atoms match
173: ok 140 # number of heavy atoms match
173: ok 141 # number of heavy atoms match
173: ok 142 # number of heavy atoms match
173: ok 143 # number of heavy atoms match
173: ok 144 # number of heavy atoms match
173: ok 145 # number of heavy atoms match
173: ok 146 # number of heavy atoms match
173: ok 147 # number of heavy atoms match
173: ok 148 # number of heavy atoms match
173: ok 149 # number of heavy atoms match
173: ok 150 # number of heavy atoms match
173: ok 151 # number of heavy atoms match
173: ok 152 # number of heavy atoms match
173: ok 153 # number of heavy atoms match
173: ok 154 # number of heavy atoms match
173: ok 155 # number of heavy atoms match
173: ok 156 # number of heavy atoms match
173: ok 157 # number of heavy atoms match
173: ok 158 # number of heavy atoms match
173: ok 159 # number of heavy atoms match
173: ok 160 # number of heavy atoms match
173: ok 161 # number of heavy atoms match
173: ok 162 # number of heavy atoms match
173: ok 163 # number of heavy atoms match
173: ok 164 # number of heavy atoms match
173: ok 165 # number of heavy atoms match
173: ok 166 # number of heavy atoms match
173: ok 167 # number of heavy atoms match
173: ok 168 # number of heavy atoms match
173: ok 169 # number of heavy atoms match
173: ok 170 # number of heavy atoms match
173: ok 171 # number of heavy atoms match
173: ok 172 # number of heavy atoms match
173: ok 173 # number of heavy atoms match
173: ok 174 # number of heavy atoms match
173: ok 175 # number of heavy atoms match
173: ok 176 # number of heavy atoms match
173: ok 177 # number of heavy atoms match
173: ok 178 # number of heavy atoms match
173: ok 179 # number of heavy atoms match
173: ok 180 # number of heavy atoms match
173: ok 181 # number of heavy atoms match
173: ok 182 # number of heavy atoms match
173: ok 183 # number of heavy atoms match
173: ok 184 # number of heavy atoms match
173: ok 185 # number of heavy atoms match
173: ok 186 # number of heavy atoms match
173: ok 187 # number of heavy atoms match
173: ok 188 # number of heavy atoms match
173: ok 189 # number of heavy atoms match
173: ok 190 # number of heavy atoms match
173: ok 191 # number of heavy atoms match
173: ok 192 # number of heavy atoms match
173: ok 193 # number of heavy atoms match
173: ok 194 # number of heavy atoms match
173: ok 195 # number of heavy atoms match
173: ok 196 # number of heavy atoms match
173: ok 197 # number of heavy atoms match
173: ok 198 # number of heavy atoms match
173: ok 199 # number of heavy atoms match
173: ok 200 # number of heavy atoms match
173: ok 201 # number of heavy atoms match
173: ok 202 # number of heavy atoms match
173: ok 203 # number of heavy atoms match
173: ok 204 # number of heavy atoms match
173: ok 205 # number of heavy atoms match
173: ok 206 # number of heavy atoms match
173: ok 207 # number of heavy atoms match
173: ok 208 # number of heavy atoms match
173: ok 209 # number of heavy atoms match
173: ok 210 # number of heavy atoms match
173: ok 211 # number of heavy atoms match
173: ok 212 # number of heavy atoms match
173: ok 213 # number of heavy atoms match
173: ok 214 # number of heavy atoms match
173: ok 215 # number of heavy atoms match
173: ok 216 # number of heavy atoms match
173: ok 217 # number of heavy atoms match
173: ok 218 # number of heavy atoms match
173: ok 219 # number of heavy atoms match
173: ok 220 # number of heavy atoms match
173: ok 221 # number of heavy atoms match
173: ok 222 # number of heavy atoms match
173: ok 223 # number of heavy atoms match
175: ok 1 # dipole
175: ok 2 # charge
175: ok 3 # charge
175: ok 4 # charge
175: ok 5 # charge
175: ok 6 # charge
175: ok 7 # charge
175: ok 8 # charge
175: ok 9 # charge
175: ok 10 # charge
175: ok 11 # charge
175: ok 12 # charge
175: ok 13 # charge
175: ok 14 # charge
175: ok 15 # charge
175: ok 16 # charge
175: ok 17 # charge
175: ok 18 # charge
175: ok 19 # charge
175: ok 20 # charge
175: ok 21 # charge
175: ok 22 # charge
175: ok 23 # charge
175: ok 24 # charge
175: ok 25 # charge
175: ok 26 # charge
175: ok 27 # charge
175: ok 28 # charge
175: ok 29 # charge
175: ok 30 # charge
175: ok 31 # charge
175: ok 32 # charge
175: ok 33 # charge
175: ok 34 # charge
175: ok 35 # charge
175: ok 36 # charge
175: ok 37 # charge
175: ok 38 # charge
175: ok 39 # charge
175: ok 40 # charge
175: ok 41 # dipole
175: ok 42 # charge
175: ok 43 # charge
175: ok 44 # charge
175: ok 45 # charge
175: ok 46 # charge
175: ok 47 # charge
175: ok 48 # charge
175: ok 49 # dipole
175: ok 50 # charge
175: ok 51 # charge
175: ok 52 # charge
175: ok 53 # charge
175: ok 54 # charge
175: ok 55 # charge
175: ok 56 # charge
175: ok 57 # charge
175: ok 58 # charge
175: ok 59 # dipole
175: ok 60 # charge
175: ok 61 # charge
175: ok 62 # charge
175: ok 63 # charge
175: ok 64 # charge
175: ok 65 # charge
175: ok 66 # charge
175: ok 67 # charge
175: ok 68 # dipole
175: ok 69 # charge
175: ok 70 # charge
175: ok 71 # charge
175: ok 72 # charge
175: ok 73 # charge
175: ok 74 # charge
175: ok 75 # charge
175: ok 76 # charge
175: ok 77 # charge
175: ok 78 # charge
175: ok 79 # charge
175: ok 80 # charge
175: ok 81 # charge
175: ok 82 # dipole
175: ok 83 # charge
175: ok 84 # charge
175: ok 85 # charge
175: ok 86 # charge
175: ok 87 # charge
175: ok 88 # charge
175: ok 89 # charge
175: ok 90 # charge
175: ok 91 # charge
175: ok 92 # charge
175: ok 93 # charge
175: ok 94 # charge
175: ok 95 # charge
175: ok 96 # dipole
175: ok 97 # charge
175: ok 98 # charge
175: ok 99 # charge
175: ok 100 # charge
175: ok 101 # charge
175: ok 102 # charge
175: ok 103 # charge
175: ok 104 # charge
175: ok 105 # charge
175: ok 106 # charge
175: ok 107 # charge
175: ok 108 # charge
175: ok 109 # charge
175: ok 110 # charge
175: ok 111 # charge
175: ok 112 # charge
175: ok 113 # charge
175: ok 114 # charge
175: ok 115 # charge
175: ok 116 # charge
175: ok 117 # charge
175: ok 118 # charge
175: ok 119 # charge
175: ok 120 # charge
175: ok 121 # charge
175: ok 122 # charge
175: ok 123 # charge
175: ok 124 # charge
175: ok 125 # charge
175: ok 126 # charge
175: ok 127 # charge
175: ok 128 # charge
175: ok 129 # charge
175: ok 130 # charge
175: ok 131 # charge
175: ok 132 # charge
175: ok 133 # charge
175: ok 134 # charge
175: ok 135 # charge
175: ok 136 # charge
175: ok 137 # charge
175: ok 138 # charge
175: ok 139 # charge
175: ok 140 # charge
175: ok 141 # charge
175: ok 142 # charge
175: ok 143 # charge
175: ok 144 # charge
175: ok 145 # charge
175: ok 146 # charge
175: ok 147 # charge
175: ok 148 # charge
175: ok 149 # charge
175: ok 150 # charge
175: ok 151 # charge
175: ok 152 # charge
175: ok 153 # charge
175: ok 154 # charge
175: ok 155 # charge
175: ok 156 # charge
175: ok 157 # charge
175: ok 158 # charge
175: ok 159 # charge
175: ok 160 # charge
175: ok 161 # charge
175: ok 162 # dipole
175: ok 163 # charge
175: ok 164 # charge
175: ok 165 # charge
175: ok 166 # charge
175: ok 167 # charge
175: ok 168 # charge
175: ok 169 # charge
175: ok 170 # charge
175: ok 171 # charge
175: ok 172 # charge
175: ok 173 # charge
175: ok 174 # charge
175: ok 175 # charge
175: ok 176 # charge
175: ok 177 # charge
175: ok 178 # charge
175: ok 179 # charge
175: ok 180 # charge
175: ok 181 # charge
175: ok 182 # charge
175: ok 183 # charge
175: ok 184 # charge
175: ok 185 # charge
175: ok 186 # charge
175: ok 187 # dipole
175: ok 188 # charge
175: ok 189 # charge
175: ok 190 # charge
175: ok 191 # charge
175: ok 192 # charge
175: ok 193 # charge
175: ok 194 # charge
175: ok 195 # charge
175: ok 196 # charge
175: ok 197 # charge
175: ok 198 # charge
175: ok 199 # charge
175: ok 200 # charge
175: ok 201 # charge
175: ok 202 # charge
175: ok 203 # charge
175: ok 204 # charge
175: ok 205 # charge
175: ok 206 # charge
175: ok 207 # charge
175: ok 208 # charge
175: ok 209 # charge
175: ok 210 # charge
175: ok 211 # charge
175: ok 212 # charge
175: ok 213 # charge
175: ok 214 # charge
175: ok 215 # charge
175: ok 216 # charge
175: ok 217 # charge
175: ok 218 # charge
175: ok 219 # charge
175: ok 220 # charge
175: ok 221 # charge
175: ok 222 # charge
175: ok 223 # charge
175: ok 224 # charge
175: ok 225 # charge
175: ok 226 # charge
175: ok 227 # charge
175: ok 228 # charge
175: ok 229 # charge
175: ok 230 # charge
175: ok 231 # charge
175: ok 232 # charge
175: ok 233 # charge
175: ok 234 # charge
175: ok 235 # charge
175: ok 236 # charge
175: ok 237 # charge
175: ok 238 # charge
175: ok 239 # charge
175: ok 240 # charge
175: ok 241 # charge
175: ok 242 # charge
175: ok 243 # charge
175: ok 244 # charge
175: ok 245 # charge
175: ok 246 # charge
175: ok 247 # charge
175: ok 248 # dipole
175: ok 249 # charge
175: ok 250 # charge
175: ok 251 # charge
175: ok 252 # charge
175: ok 253 # charge
175: ok 254 # charge
175: ok 255 # charge
175: ok 256 # charge
175: ok 257 # charge
175: ok 258 # charge
175: ok 259 # charge
175: ok 260 # charge
175: ok 261 # charge
175: ok 262 # charge
173: ok 224 # number of heavy atoms match
173: ok 225 # number of heavy atoms match
173: ok 226 # number of heavy atoms match
173: ok 227 # number of heavy atoms match
173: ok 228 # number of heavy atoms match
173: ok 229 # number of heavy atoms match
173: ok 230 # number of heavy atoms match
173: ok 231 # number of heavy atoms match
173: ok 232 # number of heavy atoms match
173: ok 233 # number of heavy atoms match
173: ok 234 # number of heavy atoms match
173: ok 235 # number of heavy atoms match
173: ok 236 # number of heavy atoms match
173: ok 237 # number of heavy atoms match
173: ok 238 # number of heavy atoms match
173: ok 239 # number of heavy atoms match
173: ok 240 # number of heavy atoms match
173: ok 241 # number of heavy atoms match
173: ok 242 # number of heavy atoms match
173: ok 243 # number of heavy atoms match
173: ok 244 # number of heavy atoms match
173: ok 245 # number of heavy atoms match
173: ok 246 # number of heavy atoms match
173: ok 247 # number of heavy atoms match
173: ok 248 # number of heavy atoms match
173: ok 249 # number of heavy atoms match
173: ok 250 # number of heavy atoms match
173: ok 251 # number of heavy atoms match
173: ok 252 # number of heavy atoms match
173: ok 253 # number of heavy atoms match
173: ok 254 # number of heavy atoms match
173: ok 255 # number of heavy atoms match
173: ok 256 # number of heavy atoms match
173: ok 257 # number of heavy atoms match
173: ok 258 # number of heavy atoms match
173: ok 259 # number of heavy atoms match
173: ok 260 # number of heavy atoms match
173: ok 261 # number of heavy atoms match
173: ok 262 # number of heavy atoms match
173: ok 263 # number of heavy atoms match
173: ok 264 # number of heavy atoms match
173: ok 265 # number of heavy atoms match
173: ok 266 # number of heavy atoms match
173: ok 267 # number of heavy atoms match
173: ok 268 # number of heavy atoms match
173: ok 269 # number of heavy atoms match
173: ok 270 # number of heavy atoms match
173: ok 271 # number of heavy atoms match
173: ok 272 # number of heavy atoms match
173: ok 273 # number of heavy atoms match
173: ok 274 # number of heavy atoms match
173: ok 275 # number of heavy atoms match
173: ok 276 # number of heavy atoms match
173: ok 277 # number of heavy atoms match
173: ok 278 # number of heavy atoms match
173: ok 279 # number of heavy atoms match
173: ok 280 # number of heavy atoms match
173: ok 281 # number of heavy atoms match
173: ok 282 # number of heavy atoms match
173: ok 283 # number of heavy atoms match
173: ok 284 # number of heavy atoms match
173: ok 285 # number of heavy atoms match
173: ok 286 # number of heavy atoms match
173: ok 287 # number of heavy atoms match
173: ok 288 # number of heavy atoms match
173: ok 289 # number of heavy atoms match
173: ok 290 # number of heavy atoms match
173: ok 291 # number of heavy atoms match
173: ok 292 # number of heavy atoms match
173: ok 293 # number of heavy atoms match
173: ok 294 # number of heavy atoms match
173: ok 295 # number of heavy atoms match
173: ok 296 # number of heavy atoms match
173: ok 297 # number of heavy atoms match
173: ok 298 # number of heavy atoms match
173: ok 299 # number of heavy atoms match
173: ok 300 # number of heavy atoms match
173: ok 301 # number of heavy atoms match
173: ok 302 # number of heavy atoms match
173: ok 303 # number of heavy atoms match
173: ok 304 # number of heavy atoms match
173: ok 305 # number of heavy atoms match
173: ok 306 # number of heavy atoms match
173: ok 307 # number of heavy atoms match
173: ok 308 # number of heavy atoms match
173: ok 309 # number of heavy atoms match
173: ok 310 # number of heavy atoms match
173: ok 311 # number of heavy atoms match
173: ok 312 # number of heavy atoms match
173: ok 313 # number of heavy atoms match
173: ok 314 # number of heavy atoms match
173: ok 315 # number of heavy atoms match
173: ok 316 # number of heavy atoms match
173: ok 317 # number of heavy atoms match
173: ok 318 # number of heavy atoms match
173: ok 319 # number of heavy atoms match
173: ok 320 # number of heavy atoms match
173: ok 321 # number of heavy atoms match
173: ok 322 # number of heavy atoms match
173: ok 323 # number of heavy atoms match
173: ok 324 # number of heavy atoms match
173: ok 325 # number of heavy atoms match
173: ok 326 # number of heavy atoms match
173: ok 327 # number of heavy atoms match
173: ok 328 # number of heavy atoms match
173: ok 329 # number of heavy atoms match
173: ok 330 # number of heavy atoms match
173: ok 331 # number of heavy atoms match
173: ok 332 # number of heavy atoms match
173: ok 333 # number of heavy atoms match
173: ok 334 # number of heavy atoms match
173: ok 335 # number of heavy atoms match
173: ok 336 # number of heavy atoms match
173: ok 337 # number of heavy atoms match
173: ok 338 # number of heavy atoms match
173: ok 339 # number of heavy atoms match
173: ok 340 # number of heavy atoms match
173: ok 341 # number of heavy atoms match
173: ok 342 # number of heavy atoms match
173: ok 343 # number of heavy atoms match
173: ok 344 # number of heavy atoms match
173: ok 345 # number of heavy atoms match
173: ok 346 # number of heavy atoms match
173: ok 347 # number of heavy atoms match
173: ok 348 # number of heavy atoms match
173: ok 349 # number of heavy atoms match
173: ok 350 # number of heavy atoms match
173: ok 351 # number of heavy atoms match
173: ok 352 # number of heavy atoms match
173: ok 353 # number of heavy atoms match
173: ok 354 # number of heavy atoms match
173: ok 355 # number of heavy atoms match
173: ok 356 # number of heavy atoms match
173: ok 357 # number of heavy atoms match
173: ok 358 # number of heavy atoms match
173: ok 359 # number of heavy atoms match
173: ok 360 # number of heavy atoms match
173: ok 361 # number of heavy atoms match
173: ok 362 # number of heavy atoms match
173: ok 363 # number of heavy atoms match
173: ok 364 # number of heavy atoms match
173: ok 365 # number of heavy atoms match
173: ok 366 # number of heavy atoms match
173: ok 367 # number of heavy atoms match
173: ok 368 # number of heavy atoms match
173: ok 369 # number of heavy atoms match
173: ok 370 # number of heavy atoms match
173: ok 371 # number of heavy atoms match
173: ok 372 # number of heavy atoms match
173: ok 373 # number of heavy atoms match
173: ok 374 # number of heavy atoms match
173: ok 375 # number of heavy atoms match
173: ok 376 # number of heavy atoms match
173: ok 377 # number of heavy atoms match
173: ok 378 # number of heavy atoms match
173: ok 379 # number of heavy atoms match
173: ok 380 # number of heavy atoms match
173: ok 381 # number of heavy atoms match
173: ok 382 # number of heavy atoms match
173: ok 383 # number of heavy atoms match
173: ok 384 # number of heavy atoms match
173: ok 385 # number of heavy atoms match
173: ok 386 # number of heavy atoms match
173: ok 387 # number of heavy atoms match
173: ok 388 # number of heavy atoms match
173: ok 389 # number of heavy atoms match
173: ok 390 # number of heavy atoms match
173: ok 391 # number of heavy atoms match
173: ok 392 # number of heavy atoms match
173: ok 393 # number of heavy atoms match
173: ok 394 # number of heavy atoms match
173: ok 395 # number of heavy atoms match
173: ok 396 # number of heavy atoms match
173: ok 397 # number of heavy atoms match
173: ok 398 # number of heavy atoms match
173: ok 399 # number of heavy atoms match
173: ok 400 # number of heavy atoms match
173: ok 401 # number of heavy atoms match
173: ok 402 # number of heavy atoms match
173: ok 403 # number of heavy atoms match
173: ok 404 # number of heavy atoms match
173: ok 405 # number of heavy atoms match
173: ok 406 # number of heavy atoms match
173: ok 407 # number of heavy atoms match
173: ok 408 # number of heavy atoms match
173: ok 409 # number of heavy atoms match
173: ok 410 # number of heavy atoms match
173: ok 411 # number of heavy atoms match
173: ok 412 # number of heavy atoms match
173: ok 413 # number of heavy atoms match
173: ok 414 # number of heavy atoms match
173: ok 415 # number of heavy atoms match
173: ok 416 # number of heavy atoms match
173: ok 417 # number of heavy atoms match
173: ok 418 # number of heavy atoms match
173: ok 419 # number of heavy atoms match
173: ok 420 # number of heavy atoms match
173: ok 421 # number of heavy atoms match
173: ok 422 # number of heavy atoms match
173: ok 423 # number of heavy atoms match
173: ok 424 # number of heavy atoms match
173: ok 425 # number of heavy atoms match
173: ok 426 # number of heavy atoms match
173: ok 427 # number of heavy atoms match
173: ok 428 # number of heavy atoms match
173: ok 429 # number of heavy atoms match
173: ok 430 # number of heavy atoms match
173: ok 431 # number of heavy atoms match
173: ok 432 # number of heavy atoms match
173: ok 433 # number of heavy atoms match
173: ok 434 # number of heavy atoms match
173: ok 435 # number of heavy atoms match
173: ok 436 # number of heavy atoms match
173: ok 437 # number of heavy atoms match
173: ok 438 # number of heavy atoms match
173: ok 439 # number of heavy atoms match
173: ok 440 # number of heavy atoms match
173: ok 441 # number of heavy atoms match
173: ok 442 # number of heavy atoms match
173: ok 443 # number of heavy atoms match
173: ok 444 # number of heavy atoms match
173: ok 445 # number of heavy atoms match
173: ok 446 # number of heavy atoms match
173: ok 447 # number of heavy atoms match
173: ok 448 # number of heavy atoms match
173: ok 449 # number of heavy atoms match
173: ok 450 # number of heavy atoms match
173: ok 451 # number of heavy atoms match
173: ok 452 # number of heavy atoms match
173: ok 453 # number of heavy atoms match
173: ok 454 # number of heavy atoms match
173: ok 455 # number of heavy atoms match
173: ok 456 # number of heavy atoms match
173: ok 457 # number of heavy atoms match
173: ok 458 # number of heavy atoms match
173: ok 459 # number of heavy atoms match
173: ok 460 # number of heavy atoms match
173: ok 461 # number of heavy atoms match
173: ok 462 # number of heavy atoms match
173: ok 463 # number of heavy atoms match
173: ok 464 # number of heavy atoms match
173: ok 465 # number of heavy atoms match
173: ok 466 # number of heavy atoms match
173: ok 467 # number of heavy atoms match
173: ok 468 # number of heavy atoms match
173: ok 469 # number of heavy atoms match
173: ok 470 # number of heavy atoms match
173: ok 471 # number of heavy atoms match
173: ok 472 # number of heavy atoms match
173: ok 473 # number of heavy atoms match
173: ok 474 # number of heavy atoms match
173: ok 475 # number of heavy atoms match
173: ok 476 # number of heavy atoms match
173: ok 477 # number of heavy atoms match
173: ok 478 # number of heavy atoms match
173: ok 479 # number of heavy atoms match
173: ok 480 # number of heavy atoms match
173: ok 481 # number of heavy atoms match
173: ok 482 # number of heavy atoms match
173: ok 483 # number of heavy atoms match
173: ok 484 # number of heavy atoms match
173: ok 485 # number of heavy atoms match
173: ok 486 # number of heavy atoms match
173: ok 487 # number of heavy atoms match
173: ok 488 # number of heavy atoms match
173: ok 489 # number of heavy atoms match
173: ok 490 # number of heavy atoms match
173: ok 491 # number of heavy atoms match
173: ok 492 # number of heavy atoms match
173: ok 493 # number of heavy atoms match
173: ok 494 # number of heavy atoms match
173: ok 495 # number of heavy atoms match
173: ok 496 # number of heavy atoms match
173: ok 497 # number of heavy atoms match
173: ok 498 # number of heavy atoms match
173: ok 499 # number of heavy atoms match
173: ok 500 # number of heavy atoms match
173: ok 501 # number of heavy atoms match
173: ok 502 # number of heavy atoms match
173: ok 503 # number of heavy atoms match
173: ok 504 # number of heavy atoms match
173: ok 505 # number of heavy atoms match
173: ok 506 # number of heavy atoms match
173: ok 507 # number of heavy atoms match
173: ok 508 # number of heavy atoms match
173: ok 509 # number of heavy atoms match
173: ok 510 # number of heavy atoms match
173: ok 511 # number of heavy atoms match
173: ok 512 # number of heavy atoms match
173: ok 513 # number of heavy atoms match
173: ok 514 # number of heavy atoms match
173: ok 515 # number of heavy atoms match
173: ok 516 # number of heavy atoms match
173: ok 517 # number of heavy atoms match
173: ok 518 # number of heavy atoms match
173: ok 519 # number of heavy atoms match
173: ok 520 # number of heavy atoms match
173: ok 521 # number of heavy atoms match
173: ok 522 # number of heavy atoms match
173: ok 523 # number of heavy atoms match
173: ok 524 # number of heavy atoms match
173: ok 525 # number of heavy atoms match
173: ok 526 # number of heavy atoms match
173: ok 527 # number of heavy atoms match
173: ok 528 # number of heavy atoms match
173: ok 529 # number of heavy atoms match
173: ok 530 # number of heavy atoms match
173: ok 531 # number of heavy atoms match
173: ok 532 # number of heavy atoms match
173: ok 533 # number of heavy atoms match
173: ok 534 # number of heavy atoms match
173: ok 535 # number of heavy atoms match
173: ok 536 # number of heavy atoms match
173: ok 537 # number of heavy atoms match
173: ok 538 # number of heavy atoms match
173: ok 539 # number of heavy atoms match
173: ok 540 # number of heavy atoms match
173: ok 541 # number of heavy atoms match
173: ok 542 # number of heavy atoms match
173: ok 543 # number of heavy atoms match
173: ok 544 # number of heavy atoms match
173: ok 545 # number of heavy atoms match
173: ok 546 # number of heavy atoms match
173: ok 547 # number of heavy atoms match
173: ok 548 # number of heavy atoms match
173: ok 549 # number of heavy atoms match
173: ok 550 # number of heavy atoms match
173: ok 551 # number of heavy atoms match
173: ok 552 # number of heavy atoms match
173: ok 553 # number of heavy atoms match
173: ok 554 # number of heavy atoms match
173: ok 555 # number of heavy atoms match
173: ok 556 # number of heavy atoms match
173: ok 557 # number of heavy atoms match
173: ok 558 # number of heavy atoms match
173: ok 559 # number of heavy atoms match
173: ok 560 # number of heavy atoms match
173: ok 561 # number of heavy atoms match
173: ok 562 # number of heavy atoms match
173: ok 563 # number of heavy atoms match
173: ok 564 # number of heavy atoms match
173: ok 565 # number of heavy atoms match
173: ok 566 # number of heavy atoms match
173: ok 567 # number of heavy atoms match
173: ok 568 # number of heavy atoms match
173: ok 569 # number of heavy atoms match
173: ok 570 # number of heavy atoms match
173: ok 571 # number of heavy atoms match
173: ok 572 # number of heavy atoms match
173: ok 573 # number of heavy atoms match
173: ok 574 # number of heavy atoms match
173: ok 575 # number of heavy atoms match
173: ok 576 # number of heavy atoms match
173: ok 577 # number of heavy atoms match
173: ok 578 # number of heavy atoms match
173: ok 579 # number of heavy atoms match
173: ok 580 # number of heavy atoms match
173: ok 581 # number of heavy atoms match
173: ok 582 # number of heavy atoms match
173: ok 583 # number of heavy atoms match
173: ok 584 # number of heavy atoms match
173: ok 585 # number of heavy atoms match
173: ok 586 # number of heavy atoms match
173: ok 587 # number of heavy atoms match
173: ok 588 # number of heavy atoms match
173: ok 589 # number of heavy atoms match
173: ok 590 # number of heavy atoms match
173: ok 591 # number of heavy atoms match
173: ok 592 # number of heavy atoms match
173: ok 593 # number of heavy atoms match
173: ok 594 # number of heavy atoms match
173: ok 595 # number of heavy atoms match
173: ok 596 # number of heavy atoms match
173: ok 597 # number of heavy atoms match
173: ok 598 # number of heavy atoms match
173: ok 599 # number of heavy atoms match
173: ok 600 # number of heavy atoms match
173: ok 601 # number of heavy atoms match
173: ok 602 # number of heavy atoms match
173: ok 603 # number of heavy atoms match
173: ok 604 # number of heavy atoms match
173: ok 605 # number of heavy atoms match
173: ok 606 # number of heavy atoms match
173: ok 607 # number of heavy atoms match
173: ok 608 # number of heavy atoms match
173: ok 609 # number of heavy atoms match
173: ok 610 # number of heavy atoms match
173: ok 611 # number of heavy atoms match
173: ok 612 # number of heavy atoms match
173: ok 613 # number of heavy atoms match
173: ok 614 # number of heavy atoms match
173: ok 615 # number of heavy atoms match
173: ok 616 # number of heavy atoms match
173: ok 617 # number of heavy atoms match
173: ok 618 # number of heavy atoms match
173: ok 619 # number of heavy atoms match
173: ok 620 # number of heavy atoms match
173: ok 621 # number of heavy atoms match
173: ok 622 # number of heavy atoms match
173: ok 623 # number of heavy atoms match
173: ok 624 # number of heavy atoms match
173: ok 625 # number of heavy atoms match
173: ok 626 # number of heavy atoms match
173: ok 627 # number of heavy atoms match
173: ok 628 # number of heavy atoms match
173: ok 629 # number of heavy atoms match
173: ok 630 # number of heavy atoms match
173: ok 631 # number of heavy atoms match
173: ok 632 # number of heavy atoms match
173: ok 633 # number of heavy atoms match
173: ok 634 # number of heavy atoms match
173: ok 635 # number of heavy atoms match
173: ok 636 # number of heavy atoms match
173: ok 637 # number of heavy atoms match
173: ok 638 # number of heavy atoms match
173: ok 639 # number of heavy atoms match
173: ok 640 # number of heavy atoms match
173: ok 641 # number of heavy atoms match
173: ok 642 # number of heavy atoms match
173: ok 643 # number of heavy atoms match
173: ok 644 # number of heavy atoms match
173: ok 645 # number of heavy atoms match
173: ok 646 # number of heavy atoms match
173: ok 647 # number of heavy atoms match
173: ok 648 # number of heavy atoms match
173: ok 649 # number of heavy atoms match
173: ok 650 # number of heavy atoms match
173: ok 651 # number of heavy atoms match
173: ok 652 # number of heavy atoms match
173: ok 653 # number of heavy atoms match
173: ok 654 # number of heavy atoms match
173: ok 655 # number of heavy atoms match
173: ok 656 # number of heavy atoms match
173: ok 657 # number of heavy atoms match
173: ok 658 # number of heavy atoms match
173: ok 659 # number of heavy atoms match
173: ok 660 # number of heavy atoms match
173: ok 661 # number of heavy atoms match
173: ok 662 # number of heavy atoms match
173: ok 663 # number of heavy atoms match
173: ok 664 # number of heavy atoms match
173: ok 665 # number of heavy atoms match
173: ok 666 # number of heavy atoms match
173: ok 667 # number of heavy atoms match
173: ok 668 # number of heavy atoms match
173: ok 669 # number of heavy atoms match
173: ok 670 # number of heavy atoms match
173: ok 671 # number of heavy atoms match
173: ok 672 # number of heavy atoms match
173: ok 673 # number of heavy atoms match
173: ok 674 # number of heavy atoms match
173: ok 675 # number of heavy atoms match
173: ok 676 # number of heavy atoms match
173: ok 677 # number of heavy atoms match
173: ok 678 # number of heavy atoms match
173: ok 679 # number of heavy atoms match
173: ok 680 # number of heavy atoms match
173: ok 681 # number of heavy atoms match
173: ok 682 # number of heavy atoms match
173: ok 683 # number of heavy atoms match
173: ok 684 # number of heavy atoms match
173: ok 685 # number of heavy atoms match
173: ok 686 # number of heavy atoms match
173: ok 687 # number of heavy atoms match
173: ok 688 # number of heavy atoms match
173: ok 689 # number of heavy atoms match
173: ok 690 # number of heavy atoms match
173: ok 691 # number of heavy atoms match
173: ok 692 # number of heavy atoms match
173: ok 693 # number of heavy atoms match
173: ok 694 # number of heavy atoms match
173: ok 695 # number of heavy atoms match
173: ok 696 # number of heavy atoms match
173: ok 697 # number of heavy atoms match
173: ok 698 # number of heavy atoms match
173: ok 699 # number of heavy atoms match
173: ok 700 # number of heavy atoms match
173: ok 701 # number of heavy atoms match
173: ok 702 # number of heavy atoms match
173: ok 703 # number of heavy atoms match
173: ok 704 # number of heavy atoms match
173: ok 705 # number of heavy atoms match
173: ok 706 # number of heavy atoms match
173: ok 707 # number of heavy atoms match
173: ok 708 # number of heavy atoms match
173: ok 709 # number of heavy atoms match
173: ok 710 # number of heavy atoms match
173: ok 711 # number of heavy atoms match
173: ok 712 # number of heavy atoms match
173: ok 713 # number of heavy atoms match
173: ok 714 # number of heavy atoms match
173: ok 715 # number of heavy atoms match
173: ok 716 # number of heavy atoms match
173: ok 717 # number of heavy atoms match
173: ok 718 # number of heavy atoms match
173: ok 719 # number of heavy atoms match
173: ok 720 # number of heavy atoms match
173: ok 721 # number of heavy atoms match
173: ok 722 # number of heavy atoms match
173: ok 723 # number of heavy atoms match
173: ok 724 # number of heavy atoms match
173: ok 725 # number of heavy atoms match
173: ok 726 # number of heavy atoms match
173: ok 727 # number of heavy atoms match
173: ok 728 # number of heavy atoms match
173: ok 729 # number of heavy atoms match
173: ok 730 # number of heavy atoms match
173: ok 731 # number of heavy atoms match
173: ok 732 # number of heavy atoms match
173: ok 733 # number of heavy atoms match
173: ok 734 # number of heavy atoms match
173: ok 735 # number of heavy atoms match
173: ok 736 # number of heavy atoms match
173: ok 737 # number of heavy atoms match
173: ok 738 # number of heavy atoms match
173: ok 739 # number of heavy atoms match
173: ok 740 # number of heavy atoms match
173: ok 741 # number of heavy atoms match
173: ok 742 # number of heavy atoms match
173: ok 743 # number of heavy atoms match
173: ok 744 # number of heavy atoms match
173: ok 745 # number of heavy atoms match
173: ok 746 # number of heavy atoms match
173: ok 747 # number of heavy atoms match
173: ok 748 # number of heavy atoms match
173: ok 749 # number of heavy atoms match
173: ok 750 # number of heavy atoms match
173: ok 751 # number of heavy atoms match
173: ok 752 # number of heavy atoms match
173: ok 753 # number of heavy atoms match
173: ok 754 # number of heavy atoms match
173: ok 755 # number of heavy atoms match
173: ok 756 # number of heavy atoms match
173: ok 757 # number of heavy atoms match
173: ok 758 # number of heavy atoms match
173: ok 759 # number of heavy atoms match
173: ok 760 # number of heavy atoms match
173: ok 761 # number of heavy atoms match
173: ok 762 # number of heavy atoms match
173: ok 763 # number of heavy atoms match
173: ok 764 # number of heavy atoms match
173: ok 765 # number of heavy atoms match
173: ok 766 # number of heavy atoms match
173: ok 767 # number of heavy atoms match
173: ok 768 # number of heavy atoms match
173: ok 769 # number of heavy atoms match
173: ok 770 # number of heavy atoms match
173: ok 771 # number of heavy atoms match
173: ok 772 # number of heavy atoms match
173: ok 773 # number of heavy atoms match
173: ok 774 # number of heavy atoms match
173: ok 775 # number of heavy atoms match
173: ok 776 # number of heavy atoms match
173: ok 777 # number of heavy atoms match
173: ok 778 # number of heavy atoms match
173: ok 779 # number of heavy atoms match
173: ok 780 # number of heavy atoms match
173: ok 781 # number of heavy atoms match
173: ok 782 # number of heavy atoms match
173: ok 783 # number of heavy atoms match
173: ok 784 # number of heavy atoms match
173: ok 785 # number of heavy atoms match
173: ok 786 # number of heavy atoms match
173: ok 787 # number of heavy atoms match
173: ok 788 # number of heavy atoms match
173: ok 789 # number of heavy atoms match
173: ok 790 # number of heavy atoms match
173: ok 791 # number of heavy atoms match
173: ok 792 # number of heavy atoms match
173: ok 793 # number of heavy atoms match
173: ok 794 # number of heavy atoms match
173: ok 795 # number of heavy atoms match
173: ok 796 # number of heavy atoms match
173: ok 797 # number of heavy atoms match
173: ok 798 # number of heavy atoms match
173: ok 799 # number of heavy atoms match
173: ok 800 # number of heavy atoms match
173: ok 801 # number of heavy atoms match
173: ok 802 # number of heavy atoms match
173: ok 803 # number of heavy atoms match
173: ok 804 # number of heavy atoms match
173: ok 805 # number of heavy atoms match
173: ok 806 # number of heavy atoms match
173: ok 807 # number of heavy atoms match
173: ok 808 # number of heavy atoms match
173: ok 809 # number of heavy atoms match
173: ok 810 # number of heavy atoms match
173: ok 811 # number of heavy atoms match
173: ok 812 # number of heavy atoms match
173: ok 813 # number of heavy atoms match
173: ok 814 # number of heavy atoms match
173: ok 815 # number of heavy atoms match
173: ok 816 # number of heavy atoms match
173: ok 817 # number of heavy atoms match
173: ok 818 # number of heavy atoms match
173: ok 819 # number of heavy atoms match
173: ok 820 # number of heavy atoms match
173: ok 821 # number of heavy atoms match
173: ok 822 # number of heavy atoms match
173: ok 823 # number of heavy atoms match
173: ok 824 # number of heavy atoms match
173: ok 825 # number of heavy atoms match
173: ok 826 # number of heavy atoms match
173: ok 827 # number of heavy atoms match
173: ok 828 # number of heavy atoms match
173: ok 829 # number of heavy atoms match
173: ok 830 # number of heavy atoms match
173: ok 831 # number of heavy atoms match
173: ok 832 # number of heavy atoms match
173: ok 833 # number of heavy atoms match
173: ok 834 # number of heavy atoms match
173: ok 835 # number of heavy atoms match
173: ok 836 # number of heavy atoms match
173: ok 837 # number of heavy atoms match
173: ok 838 # number of heavy atoms match
173: ok 839 # number of heavy atoms match
173: ok 840 # number of heavy atoms match
173: ok 841 # number of heavy atoms match
173: ok 842 # number of heavy atoms match
173: ok 843 # number of heavy atoms match
173: ok 844 # number of heavy atoms match
173: ok 845 # number of heavy atoms match
173: ok 846 # number of heavy atoms match
173: ok 847 # number of heavy atoms match
173: ok 848 # number of heavy atoms match
173: ok 849 # number of heavy atoms match
173: ok 850 # number of heavy atoms match
173: ok 851 # number of heavy atoms match
173: ok 852 # number of heavy atoms match
173: ok 853 # number of heavy atoms match
173: ok 854 # number of heavy atoms match
173: ok 855 # number of heavy atoms match
173: ok 856 # number of heavy atoms match
173: ok 857 # number of heavy atoms match
173: ok 858 # number of heavy atoms match
173: ok 859 # number of heavy atoms match
173: ok 860 # number of heavy atoms match
173: ok 861 # number of heavy atoms match
173: ok 862 # number of heavy atoms match
173: ok 863 # number of heavy atoms match
173: ok 864 # number of heavy atoms match
173: ok 865 # number of heavy atoms match
173: ok 866 # number of heavy atoms match
173: ok 867 # number of heavy atoms match
173: ok 868 # number of heavy atoms match
173: ok 869 # number of heavy atoms match
173: ok 870 # number of heavy atoms match
173: ok 871 # number of heavy atoms match
173: ok 872 # number of heavy atoms match
173: ok 873 # number of heavy atoms match
173: ok 874 # number of heavy atoms match
173: ok 875 # number of heavy atoms match
173: ok 876 # number of heavy atoms match
173: ok 877 # number of heavy atoms match
173: ok 878 # number of heavy atoms match
173: ok 879 # number of heavy atoms match
173: ok 880 # number of heavy atoms match
173: ok 881 # number of heavy atoms match
173: ok 882 # number of heavy atoms match
173: ok 883 # number of heavy atoms match
173: ok 884 # number of heavy atoms match
173: ok 885 # number of heavy atoms match
173: ok 886 # number of heavy atoms match
173: ok 887 # number of heavy atoms match
175: ok 263 # charge
175: ok 264 # charge
175: ok 265 # charge
175: ok 266 # charge
175: ok 267 # charge
175: ok 268 # charge
175: ok 269 # charge
175: ok 270 # charge
175: ok 271 # charge
175: ok 272 # charge
175: ok 273 # dipole
175: ok 274 # charge
175: ok 275 # charge
175: ok 276 # charge
175: ok 277 # charge
175: ok 278 # charge
175: ok 279 # charge
175: ok 280 # charge
175: ok 281 # charge
175: ok 282 # charge
175: ok 283 # charge
175: ok 284 # charge
175: ok 285 # charge
175: ok 286 # charge
175: ok 287 # charge
175: ok 288 # charge
175: ok 289 # charge
175: ok 290 # charge
175: ok 291 # charge
175: ok 292 # charge
175: ok 293 # charge
175: ok 294 # charge
175: ok 295 # charge
175: ok 296 # charge
175: ok 297 # charge
175: ok 298 # charge
175: ok 299 # charge
175: ok 300 # charge
175: ok 301 # charge
175: ok 302 # charge
175: ok 303 # charge
175: ok 304 # charge
175: ok 305 # charge
175: ok 306 # charge
175: ok 307 # charge
175: ok 308 # charge
175: ok 309 # charge
175: ok 310 # charge
175: ok 311 # charge
175: ok 312 # charge
175: ok 313 # charge
175: ok 314 # charge
175: ok 315 # charge
175: ok 316 # charge
175: ok 317 # charge
175: ok 318 # charge
175: ok 319 # charge
175: ok 320 # charge
175: ok 321 # charge
175: ok 322 # charge
175: ok 323 # charge
175: ok 324 # charge
175: ok 325 # charge
175: ok 326 # charge
175: ok 327 # charge
175: ok 328 # charge
175: ok 329 # charge
175: ok 330 # charge
175: ok 331 # charge
175: ok 332 # charge
175: ok 333 # charge
175: ok 334 # charge
175: ok 335 # charge
175: ok 336 # charge
175: ok 337 # charge
175: ok 338 # charge
175: ok 339 # charge
175: ok 340 # charge
175: ok 341 # charge
175: ok 342 # charge
175: ok 343 # charge
175: ok 344 # charge
175: ok 345 # charge
175: ok 346 # charge
175: ok 347 # charge
175: ok 348 # dipole
175: ok 349 # charge
175: ok 350 # charge
175: ok 351 # charge
175: ok 352 # charge
175: ok 353 # charge
175: ok 354 # charge
175: ok 355 # charge
175: ok 356 # charge
175: ok 357 # charge
175: ok 358 # charge
175: ok 359 # charge
175: ok 360 # charge
175: ok 361 # charge
175: ok 362 # charge
175: ok 363 # charge
175: ok 364 # charge
175: ok 365 # charge
175: ok 366 # charge
175: ok 367 # charge
175: ok 368 # charge
175: ok 369 # charge
175: ok 370 # charge
175: ok 371 # charge
175: ok 372 # charge
175: ok 373 # charge
175: ok 374 # charge
175: ok 375 # charge
175: ok 376 # charge
175: ok 377 # charge
175: ok 378 # charge
175: ok 379 # charge
175: ok 380 # charge
175: ok 381 # charge
175: ok 382 # charge
175: ok 383 # charge
175: ok 384 # charge
175: ok 385 # charge
175: ok 386 # charge
175: ok 387 # charge
175: ok 388 # charge
175: ok 389 # charge
175: ok 390 # charge
175: ok 391 # dipole
175: ok 392 # charge
175: ok 393 # charge
175: ok 394 # charge
175: ok 395 # charge
175: ok 396 # charge
175: ok 397 # charge
175: ok 398 # charge
175: ok 399 # charge
175: ok 400 # charge
175: ok 401 # charge
175: ok 402 # charge
175: ok 403 # charge
175: ok 404 # charge
175: ok 405 # charge
175: ok 406 # charge
175: ok 407 # charge
175: ok 408 # charge
175: ok 409 # charge
175: ok 410 # charge
175: ok 411 # charge
175: ok 412 # charge
175: ok 413 # charge
175: ok 414 # charge
175: ok 415 # charge
175: ok 416 # charge
175: ok 417 # charge
175: ok 418 # charge
175: ok 419 # charge
175: ok 420 # charge
175: ok 421 # charge
175: ok 422 # charge
175: ok 423 # charge
175: ok 424 # charge
175: ok 425 # charge
175: ok 426 # charge
175: ok 427 # charge
175: ok 428 # charge
175: ok 429 # dipole
175: ok 430 # charge
175: ok 431 # charge
175: ok 432 # charge
175: ok 433 # charge
175: ok 434 # charge
175: ok 435 # charge
175: ok 436 # charge
175: ok 437 # charge
175: ok 438 # charge
175: ok 439 # charge
175: ok 440 # charge
175: ok 441 # charge
175: ok 442 # charge
175: ok 443 # charge
175: ok 444 # charge
175: ok 445 # charge
175: ok 446 # charge
175: ok 447 # charge
175: ok 448 # charge
175: ok 449 # charge
175: ok 450 # charge
175: ok 451 # charge
175: ok 452 # charge
175: ok 453 # charge
175: ok 454 # charge
175: ok 455 # charge
175: ok 456 # charge
175: ok 457 # charge
175: ok 458 # charge
175: ok 459 # charge
175: ok 460 # charge
175: ok 461 # charge
175: ok 462 # charge
175: ok 463 # charge
175: ok 464 # charge
175: ok 465 # charge
175: ok 466 # charge
175: ok 467 # charge
175: ok 468 # charge
175: ok 469 # dipole
175: ok 470 # charge
175: ok 471 # charge
175: ok 472 # charge
175: ok 473 # charge
175: ok 474 # charge
175: ok 475 # charge
175: ok 476 # charge
175: ok 477 # charge
175: ok 478 # charge
175: ok 479 # charge
175: ok 480 # charge
175: ok 481 # charge
175: ok 482 # charge
175: ok 483 # charge
175: ok 484 # charge
175: ok 485 # charge
175: ok 486 # charge
175: ok 487 # charge
175: ok 488 # charge
175: ok 489 # charge
175: ok 490 # charge
175: ok 491 # charge
175: ok 492 # charge
175: ok 493 # charge
175: ok 494 # charge
175: ok 495 # charge
175: ok 496 # charge
175: ok 497 # charge
175: ok 498 # charge
175: ok 499 # charge
175: ok 500 # charge
175: ok 501 # charge
175: ok 502 # charge
175: ok 503 # dipole
175: ok 504 # charge
175: ok 505 # charge
175: ok 506 # charge
175: ok 507 # charge
175: ok 508 # charge
175: ok 509 # charge
175: ok 510 # charge
175: ok 511 # charge
175: ok 512 # charge
175: ok 513 # charge
175: ok 514 # charge
175: ok 515 # charge
175: ok 516 # charge
175: ok 517 # charge
175: ok 518 # charge
175: ok 519 # charge
175: ok 520 # charge
175: ok 521 # charge
175: ok 522 # charge
175: ok 523 # charge
175: ok 524 # charge
175: ok 525 # charge
175: ok 526 # charge
175: ok 527 # charge
175: ok 528 # charge
175: ok 529 # charge
175: ok 530 # charge
175: ok 531 # charge
175: ok 532 # charge
175: ok 533 # charge
175: ok 534 # charge
175: ok 535 # dipole
175: ok 536 # charge
175: ok 537 # charge
175: ok 538 # charge
175: ok 539 # charge
175: ok 540 # charge
175: ok 541 # charge
175: ok 542 # charge
175: ok 543 # charge
175: ok 544 # charge
175: ok 545 # charge
175: ok 546 # charge
175: ok 547 # charge
175: ok 548 # charge
175: ok 549 # charge
175: ok 550 # charge
175: ok 551 # charge
175: ok 552 # charge
175: ok 553 # charge
175: ok 554 # charge
175: ok 555 # charge
175: ok 556 # charge
175: ok 557 # charge
175: ok 558 # charge
175: ok 559 # charge
175: ok 560 # charge
175: ok 561 # charge
175: ok 562 # charge
175: ok 563 # dipole
175: ok 564 # charge
175: ok 565 # charge
175: ok 566 # charge
175: ok 567 # charge
175: ok 568 # charge
175: ok 569 # charge
175: ok 570 # charge
175: ok 571 # charge
175: ok 572 # charge
175: ok 573 # charge
175: ok 574 # charge
175: ok 575 # charge
175: ok 576 # charge
175: ok 577 # charge
175: ok 578 # charge
175: ok 579 # charge
175: ok 580 # charge
175: ok 581 # charge
175: ok 582 # charge
175: ok 583 # charge
175: ok 584 # charge
175: ok 585 # charge
175: ok 586 # charge
175: ok 587 # charge
175: ok 588 # charge
175: ok 589 # charge
175: ok 590 # charge
175: ok 591 # charge
175: ok 592 # charge
175: ok 593 # charge
175: ok 594 # charge
175: ok 595 # charge
175: ok 596 # charge
175: ok 597 # charge
175: ok 598 # charge
175: ok 599 # charge
175: ok 600 # charge
175: ok 601 # charge
175: ok 602 # charge
175: ok 603 # charge
175: ok 604 # charge
175: ok 605 # charge
175: ok 606 # charge
175: ok 607 # charge
175: ok 608 # charge
175: ok 609 # charge
175: ok 610 # charge
175: ok 611 # charge
175: ok 612 # charge
175: ok 613 # charge
175: ok 614 # charge
175: ok 615 # charge
175: ok 616 # charge
175: ok 617 # charge
175: ok 618 # charge
175: ok 619 # charge
175: ok 620 # charge
175: ok 621 # charge
175: ok 622 # charge
175: ok 623 # charge
175: ok 624 # charge
175: ok 625 # charge
175: ok 626 # charge
174/229 Test #175: test_charge_gasteiger_1 ..........   Passed    2.76 sec
test 178
        Start 178: test_ffghemical_1

178: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffghemical" "1"
178: Environment variables: 
178:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
178:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
178: Test timeout computed to be: 1500
178: # Testing Ghemical Force Field...
177: ok 1 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
177:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
177:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
177:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
177:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
177:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
177:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
177:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
177:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
177:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
177:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
177:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
177:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
177:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
177:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
177:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
177:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
177:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
177:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
177:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
177:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
177:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
177:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
177:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
177:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
177:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
177:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
177:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
177:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
177:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
177:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
177:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
177:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
177:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
177:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
177:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
177:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
177:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
177:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
177:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
177:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
177:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
177:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
177:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
177:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
177:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
177:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
177:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
177:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
177: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
177:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
177:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
177:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
177:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
177: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
177:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
177:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
177:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
177: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
177:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
177:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
177:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
177: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
177:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
177:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
177:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
177:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
177:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
177: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
177:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
177:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
177:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
177:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
177:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
177: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
177:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
177:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
177:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
177:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
177:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
177: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
177:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
177:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
177:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
177:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
177: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
177:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
177:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
177:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
177:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
177:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
177: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
177:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
177:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
177:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
177: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
177:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
177:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
177:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
177: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
177:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
177:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
177:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
177: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
177:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
177:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
177:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
177: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
177:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
177:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
177:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
177:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
177: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
177:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
177:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
177:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
177: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
177:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
177:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
177:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
177:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
177: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
177:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
177:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
177:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
177:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
177: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
177:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
177:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
177:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
177:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
177: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
177:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
177:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
177:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
177:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
177: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
177:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
177:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
177:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
177:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
177: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
177:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
177:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
177: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
177:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
177:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
177: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
177:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
177:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
177: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
177:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
177:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
177:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
177: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
177:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
177:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
177:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
177: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
177:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
177:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
177:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
177: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
177:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
177:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
177:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
177: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
177:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
177:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
177:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
177: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
177:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
177:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
177:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
177: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
177:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
177:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
177:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
177:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
177: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
177:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
177:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
177:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
177: ok 2 # gradients 
177: ok 3 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -2.416,   1.336,  -0.580)  ( -2.381,   1.366,  -0.572)  ( 1.47,  2.25,  0.45)
177:     bond    (  1.668,   2.101,   0.514)  (  1.697,   2.122,   0.516)  ( 1.75,  1.00,  0.10)
177:     angle   ( -2.813,   0.148,  -0.737)  ( -2.807,   0.157,  -0.737)  ( 0.22,  0.13,  0.03)
177:     torsion ( -0.004,  -0.000,   0.007)  ( -0.003,  -0.000,   0.013)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.503,  -0.363,  -0.145)  ( -0.503,  -0.363,  -0.145)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.764,  -0.550,  -0.219)  ( -0.764,  -0.550,  -0.219)  ( 0.00,  0.00,  0.00)
177:  2       (-20.144, -28.711,  -6.120)  (-20.107, -28.679,  -6.117)  ( 0.18,  0.11,  0.05)
177:     bond    (-23.264, -13.153,  -6.554)  (-23.234, -13.130,  -6.552)  ( 0.13,  0.17,  0.03)
177:     angle   (  3.116, -15.559,   0.458)  (  3.122, -15.549,   0.455)  ( 0.20,  0.06,  0.16)
177:     torsion (  0.005,   0.001,  -0.024)  (  0.005,   0.001,  -0.020)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -4.496,  -1.207,  -1.210)  ( -4.490,  -1.196,  -1.209)  ( 0.14,  0.89,  0.14)
177:     bond    ( -1.865,  -2.844,  -0.582)  ( -1.861,  -2.835,  -0.582)  ( 0.23,  0.34,  0.02)
177:     angle   ( -1.717,   1.210,  -0.414)  ( -1.715,   1.211,  -0.414)  ( 0.12,  0.08,  0.01)
177:     torsion ( -0.004,  -0.000,   0.013)  ( -0.004,  -0.000,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.757,   0.117,  -0.196)  ( -0.757,   0.117,  -0.196)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.153,   0.311,  -0.031)  ( -0.153,   0.311,  -0.031)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.619,   3.694,  -0.063)  ( -0.613,   3.706,  -0.062)  ( 0.34,  0.32,  0.01)
177:     bond    ( -0.396,   0.739,  -0.080)  ( -0.393,   0.750,  -0.080)  ( 0.12,  0.83,  0.00)
177:     angle   (  4.743,   2.628,   1.337)  (  4.745,   2.629,   1.337)  ( 0.05,  0.03,  0.01)
177:     torsion (  0.005,   0.001,  -0.019)  (  0.005,   0.001,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.367,  -0.181,  -1.422)  ( -5.367,  -0.181,  -1.422)  ( 0.00,  0.00,  0.00)
177:     electro (  0.397,   0.506,   0.121)  (  0.397,   0.506,   0.121)  ( 0.00,  0.00,  0.00)
177:  5       ( 14.833,  -8.003,   3.652)  ( 14.839,  -7.991,   3.654)  ( 0.04,  0.15,  0.04)
177:     bond    (  6.026, -12.251,   1.200)  (  6.028, -12.240,   1.200)  ( 0.05,  0.09,  0.00)
177:     angle   (  7.069,   3.677,   1.984)  (  7.072,   3.677,   1.984)  ( 0.04,  0.02,  0.01)
177:     torsion (  0.002,   0.000,  -0.009)  (  0.002,   0.000,  -0.008)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.795,  -0.091,   0.207)  (  0.795,  -0.091,   0.207)  ( 0.00,  0.00,  0.00)
177:     electro (  0.941,   0.663,   0.270)  (  0.941,   0.663,   0.270)  ( 0.00,  0.00,  0.00)
177:  6       ( 84.204, 153.028,  26.891)  ( 84.228, 153.069,  26.875)  ( 0.03,  0.03,  0.06)
177:     bond    ( 97.856, 137.509,  30.243)  ( 97.875, 137.547,  30.246)  ( 0.02,  0.03,  0.01)
177:     angle   (-19.851,  15.136,  -5.020)  (-19.847,  15.139,  -5.039)  ( 0.02,  0.02,  0.37)
177:     torsion ( -0.005,  -0.001,   0.018)  ( -0.005,  -0.001,   0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.516,   0.198,   1.462)  (  5.516,   0.198,   1.462)  ( 0.00,  0.00,  0.00)
177:     electro (  0.688,   0.186,   0.188)  (  0.688,   0.186,   0.188)  ( 0.00,  0.00,  0.00)
177:  7       (-71.490, -120.302, -22.565)  (-71.475, -120.275, -22.569)  ( 0.02,  0.02,  0.02)
177:     bond    (-80.126, -112.242, -24.749)  (-80.112, -112.215, -24.747)  ( 0.02,  0.02,  0.01)
177:     angle   (  9.429,  -7.265,   2.419)  (  9.430,  -7.264,   2.413)  ( 0.01,  0.01,  0.23)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.316,   0.320,   0.094)  (  0.316,   0.320,   0.094)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.109,  -1.116,  -0.328)  ( -1.109,  -1.116,  -0.328)  ( 0.00,  0.00,  0.00)
177: ok 4 # gradients 
177: ok 5 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-15.578,  12.843, -21.710)  (-15.551,  12.869, -21.683)  ( 0.17,  0.20,  0.12)
177:     bond    (-23.897,   0.009,  -0.241)  (-23.879,   0.028,  -0.222)  ( 0.08,  0.02,  0.45)
177:     angle   (  9.184,   9.468, -16.237)  (  9.192,   9.475, -16.229)  ( 0.09,  0.07,  0.05)
177:     torsion ( -0.724,   3.315,  -5.141)  ( -0.724,   3.316,  -5.141)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.085,  -0.028,   0.049)  (  0.085,  -0.028,   0.049)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.226,   0.080,  -0.140)  ( -0.226,   0.080,  -0.140)  ( 0.00,  0.00,  0.00)
177:  2       ( 66.444, -20.112,  34.103)  ( 66.479, -20.099,  34.137)  ( 0.05,  0.07,  0.10)
177:     bond    ( 80.756,  -4.206,   7.454)  ( 80.781,  -4.197,   7.481)  ( 0.03,  0.23,  0.37)
177:     angle   (-14.451, -14.681,  25.955)  (-14.441, -14.678,  25.961)  ( 0.07,  0.02,  0.02)
177:     torsion (  0.139,  -1.225,   0.694)  (  0.139,  -1.224,   0.694)  ( 0.00,  0.09,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       (-29.182, -26.066,  44.177)  (-29.173, -26.060,  44.194)  ( 0.03,  0.02,  0.04)
177:     bond    (-25.038, -24.585,  42.258)  (-25.032, -24.579,  42.274)  ( 0.02,  0.02,  0.04)
177:     angle   ( -9.303,   2.374,  -4.127)  ( -9.300,   2.375,  -4.126)  ( 0.03,  0.01,  0.02)
177:     torsion (  0.000,  -0.282,  -0.164)  (  0.000,  -0.282,  -0.164)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.203,   0.230,  -0.381)  (  5.203,   0.230,  -0.381)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.044,  -3.803,   6.591)  ( -0.044,  -3.803,   6.591)  ( 0.00,  0.00,  0.00)
177:  4       ( 24.918,  38.241, -61.839)  ( 24.953,  38.251, -61.810)  ( 0.14,  0.03,  0.05)
177:     bond    (-28.645,  29.006, -49.921)  (-28.619,  29.013, -49.899)  ( 0.09,  0.03,  0.04)
177:     angle   ( 48.649,   7.158, -13.750)  ( 48.659,   7.159, -13.745)  ( 0.02,  0.02,  0.04)
177:     torsion (  0.017,   2.352,   1.351)  (  0.017,   2.354,   1.352)  ( 0.00,  0.07,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.319,  -0.635,   1.111)  (  7.319,  -0.635,   1.111)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.422,   0.360,  -0.629)  ( -2.422,   0.360,  -0.629)  ( 0.00,  0.00,  0.00)
177:  5       (-21.265,   6.874, -14.158)  (-21.258,   6.878, -14.147)  ( 0.03,  0.06,  0.08)
177:     bond    (  1.241,   1.282,  -2.290)  (  1.244,   1.286,  -2.280)  ( 0.26,  0.26,  0.46)
177:     angle   (-24.505,   6.123,  -9.921)  (-24.502,   6.123,  -9.921)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.015,  -1.247,  -0.712)  ( -0.015,  -1.247,  -0.712)  ( 0.00,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.129,   0.078,  -0.137)  ( -0.129,   0.078,  -0.137)  ( 0.00,  0.00,  0.00)
177:     electro (  2.143,   0.638,  -1.097)  (  2.143,   0.638,  -1.097)  ( 0.00,  0.00,  0.00)
177:  6       ( -9.157,  -4.798,   7.257)  ( -9.140,  -4.797,   7.260)  ( 0.19,  0.03,  0.04)
177:     bond    ( -9.043,  -0.339,   0.462)  ( -9.026,  -0.339,   0.462)  ( 0.19,  0.00,  0.00)
177:     angle   (  0.755,  -5.921,  10.394)  (  0.755,  -5.921,  10.396)  ( 0.00,  0.02,  0.03)
177:     torsion (  0.003,  -0.460,  -0.269)  (  0.003,  -0.459,  -0.269)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.127,   0.070,  -0.122)  ( -0.127,   0.070,  -0.122)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.745,   1.852,  -3.207)  ( -0.745,   1.852,  -3.207)  ( 0.00,  0.00,  0.00)
177:  7       ( -5.958,   3.771,   5.961)  ( -5.955,   3.784,   5.963)  ( 0.06,  0.35,  0.04)
177:     bond    (  0.880,   2.996,  -0.063)  (  0.882,   3.009,  -0.063)  ( 0.10,  0.43,  0.00)
177:     angle   ( -3.718,   1.192,   4.962)  ( -3.716,   1.192,   4.964)  ( 0.06,  0.01,  0.04)
177:     torsion (  0.288,  -0.026,   2.823)  (  0.288,  -0.026,   2.823)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.634,  -0.831,  -1.163)  ( -3.634,  -0.831,  -1.163)  ( 0.00,  0.00,  0.00)
177:     electro (  0.226,   0.440,  -0.598)  (  0.226,   0.440,  -0.598)  ( 0.00,  0.00,  0.00)
177:  8       ( -5.916,  -7.067,  -0.309)  ( -5.912,  -7.062,  -0.298)  ( 0.06,  0.06,  0.33)
177:     bond    (  0.875,  -1.405,  -2.611)  (  0.876,  -1.402,  -2.601)  ( 0.10,  0.21,  0.39)
177:     angle   ( -3.642,  -4.939,   1.435)  ( -3.639,  -4.938,   1.436)  ( 0.06,  0.03,  0.04)
177:     torsion (  0.292,  -2.437,   1.412)  (  0.292,  -2.437,   1.412)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.658,   1.415,   0.141)  ( -3.658,   1.415,   0.141)  ( 0.00,  0.00,  0.00)
177:     electro (  0.217,   0.299,  -0.686)  (  0.217,   0.299,  -0.686)  ( 0.00,  0.00,  0.00)
177:  9       ( -4.447,  -3.770,   6.375)  ( -4.443,  -3.765,   6.384)  ( 0.11,  0.12,  0.15)
177:     bond    (  2.770,  -2.821,   4.838)  (  2.773,  -2.818,   4.847)  ( 0.10,  0.10,  0.18)
177:     angle   ( -3.009,  -0.788,   1.262)  ( -3.008,  -0.787,   1.263)  ( 0.06,  0.13,  0.07)
177:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.059,  -0.299,   0.503)  ( -5.059,  -0.299,   0.503)  ( 0.00,  0.00,  0.00)
177:     electro (  0.851,   0.134,  -0.232)  (  0.851,   0.134,  -0.232)  ( 0.00,  0.00,  0.00)
177: ok 6 # gradients 
177: ok 7 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 67.160,   2.206,  24.780)  ( 67.186,   2.233,  24.806)  ( 0.04,  1.22,  0.10)
177:     bond    ( 22.644, -16.648,  11.930)  ( 22.661, -16.629,  11.948)  ( 0.08,  0.11,  0.15)
177:     angle   ( 37.185,  11.973,   6.180)  ( 37.193,  11.982,   6.187)  ( 0.02,  0.07,  0.12)
177:     torsion ( -1.785,   2.458,   6.015)  ( -1.785,   2.458,   6.015)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.865,   3.684,   0.918)  (  8.865,   3.684,   0.918)  ( 0.00,  0.00,  0.00)
177:     electro (  0.251,   0.738,  -0.263)  (  0.251,   0.738,  -0.263)  ( 0.00,  0.00,  0.00)
177:  2       (-54.056, -12.659, -38.296)  (-54.035, -12.646, -38.291)  ( 0.04,  0.10,  0.01)
177:     bond    (-48.851,  -1.807, -13.473)  (-48.831,  -1.800, -13.471)  ( 0.04,  0.40,  0.02)
177:     angle   (-10.253,  -3.726,  -7.605)  (-10.252,  -3.720,  -7.603)  ( 0.01,  0.15,  0.03)
177:     torsion (  5.048,  -7.126, -17.218)  (  5.048,  -7.126, -17.217)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -9.462,   3.054,  -6.871)  ( -9.460,   3.067,  -6.868)  ( 0.03,  0.45,  0.04)
177:     bond    (  0.187,   4.023,   0.769)  (  0.187,   4.037,   0.769)  ( 0.00,  0.34,  0.04)
177:     angle   (-24.568,   2.112,  -5.117)  (-24.566,   2.112,  -5.115)  ( 0.01,  0.00,  0.04)
177:     torsion (  2.570,   0.608,  -3.814)  (  2.570,   0.608,  -3.814)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  9.035,  -3.284,   1.316)  (  9.036,  -3.284,   1.316)  ( 0.00,  0.00,  0.00)
177:     electro (  3.314,  -0.405,  -0.025)  (  3.314,  -0.405,  -0.025)  ( 0.00,  0.00,  0.00)
177:  4       ( -0.929,   4.323,   5.355)  ( -0.918,   4.327,   5.359)  ( 1.02,  0.09,  0.07)
177:     bond    ( -2.129,  -0.870,   0.925)  ( -2.119,  -0.868,   0.927)  ( 0.49,  0.15,  0.18)
177:     angle   ( -0.029,   1.460,   1.303)  ( -0.028,   1.462,   1.305)  ( 0.00,  0.14,  0.14)
177:     torsion (  0.179,   3.113,   3.325)  (  0.179,   3.114,   3.325)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.066,  -0.008,  -0.008)  ( -0.066,  -0.008,  -0.008)  ( 0.00,  0.00,  0.00)
177:     electro (  1.117,   0.628,  -0.190)  (  1.117,   0.628,  -0.190)  ( 0.00,  0.00,  0.00)
177:  5       ( -7.077,  -6.899,   0.843)  ( -7.075,  -6.896,   0.857)  ( 0.03,  0.04,  1.16)
177:     bond    (  0.021,  -0.314,  -1.873)  (  0.021,  -0.313,  -1.860)  ( 0.00,  0.01,  0.73)
177:     angle   ( -6.502,  -3.846,   0.573)  ( -6.499,  -3.843,   0.573)  ( 0.03,  0.06,  0.00)
177:     torsion ( -2.778,  -3.682,   0.588)  ( -2.778,  -3.682,   0.588)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.685,   0.034,   0.553)  (  0.685,   0.034,   0.553)  ( 0.00,  0.00,  0.00)
177:     electro (  1.496,   0.908,   1.002)  (  1.496,   0.908,   1.002)  ( 0.00,  0.00,  0.00)
177:  6       (-17.237,  28.530,  -1.904)  (-17.205,  28.562,  -1.894)  ( 0.19,  0.11,  0.55)
177:     bond    ( -4.210,  31.977, -15.446)  ( -4.178,  32.002, -15.437)  ( 0.75,  0.08,  0.06)
177:     angle   (  1.764, -12.053,   5.716)  (  1.765, -12.047,   5.717)  ( 0.01,  0.05,  0.02)
177:     torsion ( -3.310,   4.741,  11.339)  ( -3.310,   4.741,  11.339)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.040,   3.119,  -1.982)  ( -7.040,   3.120,  -1.982)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.442,   0.747,  -1.531)  ( -4.442,   0.747,  -1.531)  ( 0.00,  0.00,  0.00)
177:  7       ( 39.537, -11.561,  18.250)  ( 39.556, -11.555,  18.255)  ( 0.05,  0.05,  0.03)
177:     bond    ( 32.188, -14.882,  16.406)  ( 32.207, -14.877,  16.411)  ( 0.06,  0.03,  0.03)
177:     angle   (  2.414,   4.058,  -1.058)  (  2.414,   4.059,  -1.058)  ( 0.02,  0.04,  0.01)
177:     torsion ( -0.273,   0.396,   0.895)  ( -0.273,   0.396,   0.895)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.203,  -0.065,   0.084)  (  0.203,  -0.065,   0.084)  ( 0.00,  0.00,  0.00)
177:     electro (  5.005,  -1.067,   1.924)  (  5.005,  -1.067,   1.924)  ( 0.00,  0.00,  0.00)
177:  8       (-18.049,  -7.109,  -2.227)  (-18.049,  -7.091,  -2.224)  ( 0.00,  0.24,  0.17)
177:     bond    (  0.051,  -1.569,   0.709)  (  0.051,  -1.551,   0.712)  ( 0.00,  1.10,  0.26)
177:     angle   ( -0.026,  -0.004,  -0.006)  ( -0.026,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.349,  -0.508,  -1.131)  (  0.349,  -0.508,  -1.131)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.682,  -3.480,  -0.882)  (-11.682,  -3.480,  -0.882)  ( 0.00,  0.00,  0.00)
177:     electro ( -6.742,  -1.548,  -0.918)  ( -6.742,  -1.548,  -0.918)  ( 0.00,  0.00,  0.00)
177: ok 8 # gradients 
177: ok 9 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 52.387, -74.873, 129.946)  ( 52.410, -74.851, 129.962)  ( 0.04,  0.03,  0.01)
177:     bond    ( 44.647, -63.177, 109.681)  ( 44.664, -63.162, 109.690)  ( 0.04,  0.02,  0.01)
177:     angle   (  7.753, -11.692,  20.276)  (  7.758, -11.686,  20.282)  ( 0.07,  0.05,  0.03)
177:     torsion ( -0.013,  -0.004,  -0.010)  ( -0.013,  -0.004,  -0.010)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -3.482,   5.998, -10.520)  ( -3.455,   6.026, -10.493)  ( 0.79,  0.46,  0.26)
177:     bond    ( -2.128,   0.003,   0.008)  ( -2.108,   0.023,   0.029)  ( 0.92,  0.01,  0.02)
177:     angle   ( -6.969,   4.291,  -7.559)  ( -6.962,   4.299,  -7.552)  ( 0.11,  0.18,  0.09)
177:     torsion ( -0.000,   0.006,  -0.002)  (  0.000,   0.006,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.786,   1.739,  -3.039)  (  5.786,   1.739,  -3.039)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.172,  -0.041,   0.071)  ( -0.172,  -0.041,   0.071)  ( 0.00,  0.00,  0.00)
177:  3       (-13.747,   4.615, -10.582)  (-13.719,   4.643, -10.554)  ( 0.21,  0.59,  0.26)
177:     bond    (  0.559,   1.981,  -0.095)  (  0.579,   2.001,  -0.075)  ( 1.12,  0.99,  0.19)
177:     angle   ( -1.658,   7.834,  -7.537)  ( -1.651,   7.842,  -7.530)  ( 0.46,  0.10,  0.09)
177:     torsion (  0.006,  -0.002,   0.014)  (  0.006,  -0.002,   0.014)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.755,  -5.343,  -3.034)  (-12.755,  -5.343,  -3.034)  ( 0.00,  0.00,  0.00)
177:     electro (  0.101,   0.145,   0.071)  (  0.101,   0.145,   0.071)  ( 0.00,  0.00,  0.00)
177:  4       (-13.936,   6.910,  -9.592)  (-13.908,   6.938,  -9.565)  ( 0.20,  0.40,  0.28)
177:     bond    (  0.682,  -0.990,  -1.830)  (  0.702,  -0.970,  -1.810)  ( 1.37,  1.98,  1.08)
177:     angle   ( -1.826,   2.713, -10.797)  ( -1.818,   2.721, -10.789)  ( 0.42,  0.27,  0.07)
177:     torsion ( -0.001,   0.005,  -0.004)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.893,   5.316,   3.128)  (-12.892,   5.316,   3.128)  ( 0.00,  0.00,  0.00)
177:     electro (  0.101,  -0.134,  -0.090)  (  0.101,  -0.134,  -0.090)  ( 0.00,  0.00,  0.00)
177:  5       (-25.904, 128.140,  -0.201)  (-25.900, 128.153,  -0.199)  ( 0.02,  0.01,  0.05)
177:     bond    (-44.104, 124.539,  -0.001)  (-44.102, 124.552,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  2.105,   0.746,  -0.030)  (  2.107,   0.746,  -0.028)  ( 0.09,  0.02,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.081,   2.805,   0.042)  ( 15.081,   2.805,   0.042)  ( 0.00,  0.00,  0.00)
177:     electro (  1.014,   0.050,  -0.212)  (  1.014,   0.050,  -0.212)  ( 0.00,  0.00,  0.00)
177:  6       (-41.125, -62.438, 108.322)  (-41.121, -62.433, 108.332)  ( 0.01,  0.01,  0.01)
177:     bond    (-44.022, -62.301, 107.873)  (-44.020, -62.298, 107.882)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.401,  -0.335,   0.787)  (  2.403,  -0.333,   0.788)  ( 0.08,  0.05,  0.05)
177:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.085,  -0.035,   0.060)  ( -0.085,  -0.035,   0.060)  ( 0.00,  0.00,  0.00)
177:     electro (  0.580,   0.231,  -0.400)  (  0.580,   0.231,  -0.400)  ( 0.00,  0.00,  0.00)
177:  7       (-25.293, -63.902, -111.322)  (-25.288, -63.897, -111.312)  ( 0.02,  0.01,  0.01)
177:     bond    (-44.001, -62.281, -107.920)  (-43.999, -62.278, -107.911)  ( 0.00,  0.01,  0.01)
177:     angle   (  2.450,  -0.318,  -0.818)  (  2.452,  -0.317,  -0.817)  ( 0.08,  0.05,  0.05)
177:     torsion ( -0.000,  -0.004,   0.002)  (  0.000,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.243,  -1.456,  -2.437)  ( 15.244,  -1.456,  -2.437)  ( 0.00,  0.00,  0.00)
177:     electro (  1.015,   0.158,  -0.150)  (  1.015,   0.158,  -0.150)  ( 0.00,  0.00,  0.00)
177:  8       (130.829,  -5.135,  -1.747)  (130.843,  -5.132,  -1.745)  ( 0.01,  0.06,  0.15)
177:     bond    (132.182,  -0.001,  -0.001)  (132.197,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -2.186,  -0.045)  (  0.000,  -2.183,  -0.043)  ( 0.00,  0.10,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.859,  -2.328,  -1.348)  ( -0.859,  -2.328,  -1.348)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.495,  -0.621,  -0.353)  ( -0.495,  -0.621,  -0.353)  ( 0.00,  0.00,  0.00)
177:  9       (-47.847,  57.535, 107.082)  (-47.843,  57.540, 107.092)  ( 0.01,  0.01,  0.01)
177:     bond    (-44.022,  62.294, 107.873)  (-44.020,  62.298, 107.882)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.070,  -2.139,   0.797)  ( -1.068,  -2.137,   0.798)  ( 0.16,  0.08,  0.05)
177:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.321,  -1.993,  -1.141)  ( -2.321,  -1.993,  -1.141)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.435,  -0.628,  -0.447)  ( -0.435,  -0.628,  -0.447)  ( 0.00,  0.00,  0.00)
177: 10       (-47.394,  54.137, -107.992)  (-47.390,  54.143, -107.982)  ( 0.01,  0.01,  0.01)
177:     bond    (-43.959,  62.203, -107.816)  (-43.957,  62.206, -107.807)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.055,  -2.187,  -0.832)  ( -1.053,  -2.186,  -0.832)  ( 0.17,  0.08,  0.05)
177:     torsion (  0.004,  -0.002,  -0.003)  (  0.004,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.994,  -4.924,   0.658)  ( -1.994,  -4.924,   0.658)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.391,  -0.952,   0.001)  ( -0.391,  -0.952,   0.001)  ( 0.00,  0.00,  0.00)
177: 11       (130.831,   4.001,   3.571)  (130.845,   4.004,   3.574)  ( 0.01,  0.07,  0.08)
177:     bond    (132.183,  -0.035,  -0.070)  (132.197,  -0.035,  -0.070)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.001,   1.081,   1.938)  (  0.001,   1.083,   1.940)  ( 0.00,  0.18,  0.11)
177:     torsion ( -0.000,   0.005,  -0.003)  ( -0.000,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.859,   2.334,   1.344)  ( -0.859,   2.334,   1.344)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.494,   0.616,   0.362)  ( -0.494,   0.616,   0.362)  ( 0.00,  0.00,  0.00)
177: 12       (-47.569,  66.412, -100.996)  (-47.565,  66.418, -100.985)  ( 0.01,  0.01,  0.01)
177:     bond    (-44.072,  62.288, -107.890)  (-44.070,  62.292, -107.881)  ( 0.00,  0.01,  0.01)
177:     angle   ( -1.090,   1.766,   1.465)  ( -1.088,   1.768,   1.465)  ( 0.16,  0.09,  0.05)
177:     torsion ( -0.005,  -0.004,   0.000)  ( -0.005,  -0.004,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.011,   1.886,   4.604)  ( -2.011,   1.886,   4.604)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.390,   0.475,   0.826)  ( -0.390,   0.475,   0.826)  ( 0.00,  0.00,  0.00)
177: 13       (-47.912, -121.563,   3.871)  (-47.908, -121.550,   3.874)  ( 0.01,  0.01,  0.07)
177:     bond    (-44.066, -124.643,   0.069)  (-44.064, -124.631,   0.070)  ( 0.00,  0.01,  0.00)
177:     angle   ( -1.083,   0.383,   2.316)  ( -1.082,   0.384,   2.318)  ( 0.16,  0.01,  0.09)
177:     torsion (  0.009,  -0.003,   0.005)  (  0.009,  -0.003,   0.005)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.336,   1.998,   1.161)  ( -2.336,   1.998,   1.161)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.435,   0.702,   0.320)  ( -0.435,   0.702,   0.320)  ( 0.00,  0.00,  0.00)
177: ok 10 # gradients 
177: ok 11 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-271.138, 383.042, -663.507)  (-271.125, 383.054, -663.501)  ( 0.00,  0.00,  0.00)
177:     bond    (-217.378, 307.591, -532.902)  (-217.370, 307.598, -532.901)  ( 0.00,  0.00,  0.00)
177:     angle   (-53.753,  75.453, -130.601)  (-53.749,  75.457, -130.596)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.006,  -0.002,  -0.005)  ( -0.006,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       (770.692, -25.809,  44.488)  (770.715, -25.784,  44.512)  ( 0.00,  0.10,  0.05)
177:     bond    (788.238,   0.006,   0.011)  (788.254,   0.024,   0.029)  ( 0.00,  0.01,  0.02)
177:     angle   (-26.180, -28.418,  49.021)  (-26.173, -28.411,  49.028)  ( 0.03,  0.02,  0.01)
177:     torsion ( -0.000,   0.003,  -0.001)  (  0.000,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  9.043,   2.698,  -4.714)  (  9.043,   2.698,  -4.714)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.409,  -0.098,   0.170)  ( -0.409,  -0.098,   0.170)  ( 0.00,  0.00,  0.00)
177:  3       (-246.459, -735.886,  44.420)  (-246.434, -735.862,  44.444)  ( 0.01,  0.00,  0.05)
177:     bond    (-263.274, -743.035,  -0.093)  (-263.257, -743.019,  -0.075)  ( 0.01,  0.00,  0.16)
177:     angle   ( 35.493,  15.072,  49.043)  ( 35.500,  15.079,  49.050)  ( 0.02,  0.05,  0.01)
177:     torsion (  0.003,  -0.001,   0.006)  (  0.003,  -0.001,   0.006)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.922,  -8.267,  -4.707)  (-18.922,  -8.267,  -4.707)  ( 0.00,  0.00,  0.00)
177:     electro (  0.241,   0.346,   0.170)  (  0.241,   0.346,   0.170)  ( 0.00,  0.00,  0.00)
177:  4       (-246.256, 329.681, 659.355)  (-246.231, 329.705, 659.379)  ( 0.01,  0.01,  0.00)
177:     bond    (-262.685, 371.683, 643.520)  (-262.668, 371.701, 643.537)  ( 0.01,  0.00,  0.00)
177:     angle   ( 35.311, -49.918,  11.219)  ( 35.318, -49.912,  11.226)  ( 0.02,  0.01,  0.06)
177:     torsion ( -0.001,   0.002,  -0.002)  ( -0.000,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-19.122,   8.234,   4.833)  (-19.122,   8.234,   4.833)  ( 0.00,  0.00,  0.00)
177:     electro (  0.241,  -0.320,  -0.215)  (  0.241,  -0.320,  -0.215)  ( 0.00,  0.00,  0.00)
177:  5       (-11.489, 135.972,  -0.102)  (-11.484, 135.985,  -0.100)  ( 0.04,  0.01,  0.02)
177:     bond    (-45.231, 127.721,  -0.001)  (-45.228, 127.733,   0.000)  ( 0.00,  0.01,  0.00)
177:     angle   (  8.533,   3.022,  -0.030)  (  8.535,   3.022,  -0.028)  ( 0.02,  0.01,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 24.859,   5.186,   0.011)  ( 24.859,   5.186,   0.011)  ( 0.00,  0.00,  0.00)
177:     electro (  0.350,   0.044,  -0.082)  (  0.350,   0.044,  -0.082)  ( 0.00,  0.00,  0.00)
177:  6       (-36.115, -65.266, 113.222)  (-36.111, -65.261, 113.232)  ( 0.01,  0.01,  0.01)
177:     bond    (-45.146, -63.893, 110.628)  (-45.144, -63.889, 110.638)  ( 0.00,  0.01,  0.01)
177:     angle   (  8.798,  -1.462,   2.746)  (  8.800,  -1.461,   2.747)  ( 0.02,  0.10,  0.02)
177:     torsion ( -0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.037,   0.008,  -0.014)  (  0.037,   0.008,  -0.014)  ( 0.00,  0.00,  0.00)
177:     electro (  0.197,   0.081,  -0.140)  (  0.197,   0.081,  -0.140)  ( 0.00,  0.00,  0.00)
177:  7       (-10.816, -67.901, -118.066)  (-10.812, -67.896, -118.056)  ( 0.04,  0.01,  0.01)
177:     bond    (-45.125, -63.872, -110.677)  (-45.123, -63.868, -110.667)  ( 0.00,  0.01,  0.01)
177:     angle   (  8.836,  -1.443,  -2.772)  (  8.838,  -1.442,  -2.771)  ( 0.02,  0.10,  0.02)
177:     torsion ( -0.000,  -0.002,   0.001)  (  0.000,  -0.002,   0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 25.121,  -2.633,  -4.539)  ( 25.122,  -2.633,  -4.539)  ( 0.00,  0.00,  0.00)
177:     electro (  0.351,   0.049,  -0.079)  (  0.351,   0.049,  -0.079)  ( 0.00,  0.00,  0.00)
177:  8       (133.977, -13.687,  -2.770)  (133.991, -13.684,  -2.767)  ( 0.01,  0.02,  0.09)
177:     bond    (135.558,  -0.001,  -0.001)  (135.572,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.000,  -9.007,  -0.044)  (  0.000,  -9.005,  -0.042)  ( 0.00,  0.02,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.421,  -4.461,  -2.588)  ( -1.421,  -4.461,  -2.588)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.160,  -0.219,  -0.137)  ( -0.160,  -0.219,  -0.137)  ( 0.00,  0.00,  0.00)
177:  9       (-54.376,  52.198, 110.874)  (-54.372,  52.203, 110.884)  ( 0.01,  0.01,  0.01)
177:     bond    (-45.146,  63.885, 110.628)  (-45.144,  63.889, 110.638)  ( 0.00,  0.01,  0.01)
177:     angle   ( -4.271,  -7.796,   2.758)  ( -4.269,  -7.794,   2.759)  ( 0.04,  0.02,  0.02)
177:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.788,  -3.684,  -2.353)  ( -4.788,  -3.684,  -2.353)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.171,  -0.208,  -0.159)  ( -0.171,  -0.208,  -0.159)  ( 0.00,  0.00,  0.00)
177: 10       (-53.750,  46.610, -112.293)  (-53.747,  46.615, -112.283)  ( 0.01,  0.01,  0.01)
177:     bond    (-45.082,  63.793, -110.573)  (-45.080,  63.796, -110.563)  ( 0.00,  0.01,  0.01)
177:     angle   ( -4.250,  -7.836,  -2.789)  ( -4.249,  -7.835,  -2.788)  ( 0.04,  0.02,  0.02)
177:     torsion (  0.002,  -0.001,  -0.001)  (  0.002,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.265,  -9.021,   1.090)  ( -4.265,  -9.021,   1.090)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.155,  -0.325,  -0.020)  ( -0.155,  -0.325,  -0.020)  ( 0.00,  0.00,  0.00)
177: 11       (133.984,   9.161,  10.464)  (133.998,   9.163,  10.466)  ( 0.01,  0.03,  0.02)
177:     bond    (135.558,  -0.036,  -0.072)  (135.572,  -0.036,  -0.071)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.005,   4.491,   7.842)  (  0.005,   4.493,   7.844)  ( 0.00,  0.04,  0.02)
177:     torsion ( -0.000,   0.002,  -0.001)  ( -0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.419,   4.476,   2.574)  ( -1.419,   4.476,   2.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.160,   0.228,   0.121)  ( -0.160,   0.228,   0.121)  ( 0.00,  0.00,  0.00)
177: 12       (-53.944,  73.905, -96.608)  (-53.940,  73.910, -96.597)  ( 0.01,  0.01,  0.01)
177:     bond    (-45.198,  63.879, -110.646)  (-45.196,  63.883, -110.636)  ( 0.00,  0.01,  0.01)
177:     angle   ( -4.286,   6.292,   5.384)  ( -4.284,   6.294,   5.384)  ( 0.04,  0.02,  0.01)
177:     torsion ( -0.002,  -0.002,   0.000)  ( -0.002,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.303,   3.555,   8.383)  ( -4.303,   3.555,   8.383)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.155,   0.180,   0.272)  ( -0.155,   0.180,   0.272)  ( 0.00,  0.00,  0.00)
177: 13       (-54.454, -122.162,  10.382)  (-54.450, -122.149,  10.385)  ( 0.01,  0.01,  0.02)
177:     bond    (-45.191, -127.826,   0.071)  (-45.189, -127.813,   0.071)  ( 0.00,  0.01,  0.00)
177:     angle   ( -4.274,   1.515,   8.186)  ( -4.272,   1.515,   8.188)  ( 0.04,  0.01,  0.02)
177:     torsion (  0.004,  -0.001,   0.002)  (  0.004,  -0.001,   0.002)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.822,   3.908,   2.023)  ( -4.822,   3.908,   2.023)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.171,   0.242,   0.100)  ( -0.171,   0.242,   0.100)  ( 0.00,  0.00,  0.00)
177: ok 12 # gradients 
177: ok 13 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  5.260,  -5.148,  -2.361)  (  5.295,  -5.114,  -2.351)  ( 0.66,  0.67,  0.43)
177:     bond    ( 24.503, -13.273,  -6.986)  ( 24.527, -13.246,  -6.983)  ( 0.10,  0.20,  0.05)
177:     angle   (  5.776,   8.041,   2.076)  (  5.785,   8.048,   2.077)  ( 0.17,  0.09,  0.04)
177:     torsion (  0.111,  -0.262,   0.581)  (  0.111,  -0.261,   0.587)  ( 0.00,  0.02,  0.30)
177:     oop     ( -0.010,   0.041,  -0.129)  ( -0.010,   0.041,  -0.128)  ( 0.00,  0.00,  0.01)
177:     vdw     (-24.970,   0.489,   2.359)  (-24.969,   0.489,   2.359)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.150,  -0.184,  -0.263)  ( -0.150,  -0.184,  -0.263)  ( 0.00,  0.00,  0.00)
177:  2       ( 21.589,  -5.064,  -1.366)  ( 21.626,  -5.032,  -1.356)  ( 0.17,  0.65,  0.72)
177:     bond    ( 28.371, -14.839,  -6.987)  ( 28.399, -14.815,  -6.984)  ( 0.10,  0.16,  0.04)
177:     angle   (  5.127, -11.898,  -4.480)  (  5.136, -11.890,  -4.479)  ( 0.16,  0.07,  0.02)
177:     torsion ( -0.039,  -0.121,   0.555)  ( -0.039,  -0.120,   0.560)  ( 0.00,  0.01,  0.29)
177:     oop     (  0.053,  -0.261,   0.756)  (  0.053,  -0.261,   0.757)  ( 0.00,  0.00,  0.05)
177:     vdw     (-11.673,  22.514,   9.309)  (-11.673,  22.514,   9.309)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.250,  -0.460,  -0.520)  ( -0.250,  -0.460,  -0.520)  ( 0.00,  0.00,  0.00)
177:  3       (-20.508,  13.173, -15.744)  (-20.471,  13.206, -15.734)  ( 0.18,  0.25,  0.07)
177:     bond    (-12.501, -44.238, -14.912)  (-12.473, -44.215, -14.908)  ( 0.23,  0.05,  0.02)
177:     angle   (  5.010,  29.663,  10.345)  (  5.018,  29.671,  10.346)  ( 0.17,  0.03,  0.01)
177:     torsion ( -0.498,   1.296,  -4.211)  ( -0.498,   1.297,  -4.205)  ( 0.00,  0.05,  0.12)
177:     oop     ( -0.099,   0.419,  -1.199)  ( -0.098,   0.419,  -1.198)  ( 0.00,  0.00,  0.06)
177:     vdw     (-11.894,  26.583,  -4.757)  (-11.893,  26.583,  -4.756)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.527,  -0.549,  -1.012)  ( -0.527,  -0.549,  -1.012)  ( 0.00,  0.00,  0.00)
177:  4       (-74.893, -26.370, -29.390)  (-74.856, -26.335, -29.379)  ( 0.05,  0.13,  0.04)
177:     bond    (-72.784,  16.430,  10.408)  (-72.758,  16.456,  10.412)  ( 0.04,  0.16,  0.04)
177:     angle   (-19.957, -39.249, -23.098)  (-19.947, -39.241, -23.096)  ( 0.05,  0.02,  0.01)
177:     torsion ( -0.579,   1.308,  -5.329)  ( -0.579,   1.309,  -5.324)  ( 0.00,  0.06,  0.09)
177:     oop     ( -0.078,   0.279,  -0.667)  ( -0.078,   0.279,  -0.667)  ( 0.00,  0.00,  0.01)
177:     vdw     ( 17.836,  -5.464, -11.173)  ( 17.837,  -5.464, -11.173)  ( 0.00,  0.00,  0.00)
177:     electro (  0.668,   0.326,   0.469)  (  0.668,   0.326,   0.469)  ( 0.00,  0.00,  0.00)
177:  5       (-30.629,  -6.041,  27.219)  (-30.591,  -6.009,  27.229)  ( 0.12,  0.54,  0.04)
177:     bond    (-35.335,  32.570,  16.427)  (-35.307,  32.594,  16.431)  ( 0.08,  0.07,  0.02)
177:     angle   (-11.648,  -7.912,  -1.789)  (-11.639,  -7.904,  -1.788)  ( 0.07,  0.10,  0.06)
177:     torsion (  1.790,  -7.107,  18.634)  (  1.790,  -7.107,  18.639)  ( 0.00,  0.01,  0.03)
177:     oop     (  0.322,  -1.081,   3.045)  (  0.322,  -1.081,   3.045)  ( 0.00,  0.01,  0.02)
177:     vdw     ( 13.738, -22.556,  -8.840)  ( 13.738, -22.555,  -8.840)  ( 0.00,  0.00,  0.00)
177:     electro (  0.504,   0.044,  -0.258)  (  0.504,   0.044,  -0.258)  ( 0.00,  0.00,  0.00)
177:  6       ( 13.714,   4.272,  -1.854)  ( 13.751,   4.304,  -1.844)  ( 0.27,  0.77,  0.55)
177:     bond    ( 38.529,  26.713,   5.049)  ( 38.558,  26.736,   5.053)  ( 0.07,  0.09,  0.07)
177:     angle   ( -9.725,   0.549,   1.163)  ( -9.716,   0.557,   1.164)  ( 0.08,  0.45,  0.09)
177:     torsion ( -0.017,   0.655,  -0.559)  ( -0.017,   0.656,  -0.554)  ( 0.00,  0.04,  0.28)
177:     oop     ( -0.037,   0.144,  -0.360)  ( -0.037,   0.145,  -0.359)  ( 0.00,  0.00,  0.03)
177:     vdw     (-15.307, -23.860,  -6.973)  (-15.307, -23.860,  -6.973)  ( 0.00,  0.00,  0.00)
177:     electro (  0.271,   0.070,  -0.175)  (  0.271,   0.070,  -0.175)  ( 0.00,  0.00,  0.00)
177:  7       (155.062,  58.275, 140.792)  (155.097,  58.294, 140.814)  ( 0.02,  0.03,  0.02)
177:     bond    (123.692,  55.388,  93.502)  (123.718,  55.400,  93.517)  ( 0.02,  0.02,  0.02)
177:     angle   ( 50.368,  29.010,  24.472)  ( 50.376,  29.016,  24.477)  ( 0.02,  0.02,  0.02)
177:     torsion ( -8.787, -46.879,  31.890)  ( -8.786, -46.878,  31.891)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.248,  21.884,  -9.351)  ( -5.248,  21.885,  -9.351)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.963,  -1.128,   0.280)  ( -4.963,  -1.128,   0.280)  ( 0.00,  0.00,  0.00)
177:  8       (-55.997,  21.994,  41.099)  (-55.960,  22.008,  41.133)  ( 0.07,  0.07,  0.08)
177:     bond    (-124.586, -15.539, -11.759)  (-124.560, -15.529, -11.729)  ( 0.02,  0.06,  0.25)
177:     angle   ( 60.058,  66.972,  82.045)  ( 60.068,  66.975,  82.050)  ( 0.02,  0.00,  0.01)
177:     torsion ( -3.015,  -4.995, -33.899)  ( -3.015,  -4.994, -33.900)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.161, -23.778,   4.119)  (  8.161, -23.777,   4.119)  ( 0.00,  0.00,  0.00)
177:     electro (  3.385,  -0.667,   0.594)  (  3.385,  -0.667,   0.594)  ( 0.00,  0.00,  0.00)
177:  9       ( -4.626, -55.968, -86.986)  ( -4.618, -55.961, -86.966)  ( 0.17,  0.01,  0.02)
177:     bond    ( 33.790, -47.731, -90.141)  ( 33.793, -47.725, -90.122)  ( 0.01,  0.01,  0.02)
177:     angle   (-60.901, -11.446, -16.774)  (-60.898, -11.446, -16.774)  ( 0.01,  0.00,  0.00)
177:     torsion ( -1.721,  40.864, -22.286)  ( -1.721,  40.864, -22.286)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 29.386, -37.753,  45.421)  ( 29.387, -37.752,  45.422)  ( 0.00,  0.00,  0.00)
177:     electro ( -5.180,   0.098,  -3.207)  ( -5.180,   0.098,  -3.207)  ( 0.00,  0.00,  0.00)
177: 10       (875.543, -1004.615, -67.954)  (875.579, -1004.581, -67.945)  ( 0.00,  0.00,  0.01)
177:     bond    (939.244, -991.164, -28.908)  (939.277, -991.135, -28.901)  ( 0.00,  0.00,  0.02)
177:     angle   (-69.172,  -9.984, -73.622)  (-69.169,  -9.979, -73.620)  ( 0.00,  0.05,  0.00)
177:     torsion (  3.542,  -1.685,  33.660)  (  3.543,  -1.685,  33.660)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.743,  -1.844,   0.105)  (  1.743,  -1.844,   0.105)  ( 0.00,  0.01,  0.00)
177:     electro (  0.186,   0.063,   0.811)  (  0.186,   0.063,   0.811)  ( 0.00,  0.00,  0.00)
177: 11       ( 23.100, -113.050,  57.542)  ( 23.136, -113.014,  57.549)  ( 0.15,  0.03,  0.01)
177:     bond    (-93.024, -80.287,  13.134)  (-92.999, -80.260,  13.137)  ( 0.03,  0.03,  0.03)
177:     angle   (110.080, -19.203,  59.248)  (110.089, -19.195,  59.249)  ( 0.01,  0.04,  0.00)
177:     torsion (  4.856,  -8.992, -13.058)  (  4.856,  -8.992, -13.056)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.131,  -4.357,  -2.302)  (  2.131,  -4.357,  -2.302)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.942,  -0.210,   0.520)  ( -0.942,  -0.210,   0.520)  ( 0.00,  0.00,  0.00)
177: 12       ( 15.143, -27.766, -22.308)  ( 15.177, -27.732, -22.303)  ( 0.23,  0.12,  0.02)
177:     bond    (-47.709,  41.747,  -8.556)  (-47.682,  41.771,  -8.555)  ( 0.06,  0.06,  0.01)
177:     angle   ( 61.470, -59.892,   6.134)  ( 61.477, -59.882,   6.136)  ( 0.01,  0.02,  0.03)
177:     torsion (  0.115,  -3.935, -16.158)  (  0.115,  -3.935, -16.156)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.791,  -6.546,   1.962)  ( -2.791,  -6.546,   1.962)  ( 0.00,  0.00,  0.00)
177:     electro (  4.059,   0.859,  -5.691)  (  4.059,   0.859,  -5.691)  ( 0.00,  0.00,  0.00)
177: 13       (-1137.252, -377.437, -32.765)  (-1137.216, -377.407, -32.759)  ( 0.00,  0.01,  0.02)
177:     bond    (-1094.636, -401.172, -36.735)  (-1094.607, -401.144, -36.730)  ( 0.00,  0.01,  0.01)
177:     angle   (-12.380,   1.580,  -0.589)  (-12.374,   1.581,  -0.589)  ( 0.05,  0.08,  0.01)
177:     torsion (  0.047,   0.779,   1.225)  (  0.047,   0.779,   1.226)  ( 0.00,  0.00,  0.10)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-29.960,  21.326,   3.138)  (-29.959,  21.327,   3.138)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.323,   0.049,   0.196)  ( -0.323,   0.049,   0.196)  ( 0.00,  0.00,  0.00)
177: 14       (260.439, 1601.601,  42.043)  (260.471, 1601.637,  42.053)  ( 0.01,  0.00,  0.03)
177:     bond    (272.029, 1597.553,  19.991)  (272.058, 1597.589,  20.000)  ( 0.01,  0.00,  0.05)
177:     angle   (-14.439,   2.075,   1.537)  (-14.436,   2.075,   1.537)  ( 0.02,  0.00,  0.00)
177:     torsion (  0.332,  -0.786,  20.047)  (  0.332,  -0.786,  20.048)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.662,   2.649,   0.254)  (  2.662,   2.649,   0.254)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.146,   0.111,   0.214)  ( -0.146,   0.111,   0.214)  ( 0.00,  0.00,  0.00)
177: 15       ( 57.542, -120.911, -34.639)  ( 57.578, -120.875, -34.632)  ( 0.06,  0.03,  0.02)
177:     bond    ( 48.171, -80.391,  -8.660)  ( 48.199, -80.365,  -8.659)  ( 0.06,  0.03,  0.01)
177:     angle   ( 10.637, -59.373,  -5.034)  ( 10.644, -59.363,  -5.034)  ( 0.07,  0.02,  0.00)
177:     torsion ( -2.988,  -1.203, -22.337)  ( -2.988,  -1.203, -22.332)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.011,  -0.008,   0.152)  (  0.011,  -0.008,   0.152)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.570,  20.372,   1.417)  (  1.570,  20.373,   1.417)  ( 0.00,  0.00,  0.00)
177:     electro (  0.142,  -0.309,  -0.178)  (  0.142,  -0.309,  -0.178)  ( 0.00,  0.00,  0.00)
177: 16       (-56.235, -50.392,   7.997)  (-56.199, -50.355,   8.005)  ( 0.06,  0.07,  0.09)
177:     bond    ( 12.036, -78.103, -10.446)  ( 12.062, -78.076, -10.445)  ( 0.22,  0.03,  0.01)
177:     angle   (-49.064,  17.676,   7.076)  (-49.055,  17.684,   7.076)  ( 0.02,  0.05,  0.00)
177:     torsion (  0.992,  -0.564,   7.080)  (  0.992,  -0.564,   7.085)  ( 0.02,  0.01,  0.08)
177:     oop     (  0.053,  -0.039,   0.344)  (  0.053,  -0.039,   0.345)  ( 0.00,  0.00,  0.02)
177:     vdw     (-20.514,  10.870,   4.689)  (-20.513,  10.870,   4.688)  ( 0.00,  0.00,  0.00)
177:     electro (  0.261,  -0.231,  -0.745)  (  0.261,  -0.231,  -0.745)  ( 0.00,  0.00,  0.00)
177: 17       (  9.152,  29.790,   6.800)  (  9.187,  29.827,   6.808)  ( 0.38,  0.13,  0.11)
177:     bond    ( 27.062,  61.293,   3.726)  ( 27.088,  61.322,   3.727)  ( 0.09,  0.05,  0.03)
177:     angle   ( 11.473, -19.158,  -4.514)  ( 11.482, -19.150,  -4.513)  ( 0.08,  0.04,  0.00)
177:     torsion (  0.986,  -0.675,   6.162)  (  0.986,  -0.675,   6.167)  ( 0.01,  0.00,  0.09)
177:     oop     ( -0.012,   0.009,  -0.074)  ( -0.012,   0.009,  -0.073)  ( 0.00,  0.00,  0.01)
177:     vdw     (-30.693, -11.779,   1.910)  (-30.693, -11.779,   1.910)  ( 0.00,  0.00,  0.00)
177:     electro (  0.336,   0.100,  -0.410)  (  0.336,   0.100,  -0.410)  ( 0.00,  0.00,  0.00)
177: 18       (-10.892,   2.830,   3.149)  (-10.855,   2.865,   3.156)  ( 0.34,  1.22,  0.23)
177:     bond    (-26.108,  11.489,   3.751)  (-26.079,  11.513,   3.752)  ( 0.11,  0.21,  0.02)
177:     angle   ( 17.655,  11.443,  -0.386)  ( 17.663,  11.452,  -0.386)  ( 0.05,  0.08,  0.01)
177:     torsion (  0.023,  -0.004,   0.922)  (  0.023,  -0.004,   0.928)  ( 0.00,  0.00,  0.52)
177:     oop     (  0.054,  -0.057,   0.611)  (  0.054,  -0.057,   0.612)  ( 0.00,  0.00,  0.05)
177:     vdw     ( -2.621, -20.472,  -1.573)  ( -2.621, -20.472,  -1.573)  ( 0.00,  0.00,  0.00)
177:     electro (  0.104,   0.432,  -0.177)  (  0.104,   0.432,  -0.177)  ( 0.00,  0.00,  0.00)
177: 19       ( -6.706,  41.818,   5.067)  ( -6.670,  41.854,   5.074)  ( 0.53,  0.09,  0.14)
177:     bond    ( 14.817,  44.410,   2.107)  ( 14.843,  44.438,   2.107)  ( 0.18,  0.06,  0.02)
177:     angle   (-43.553,  13.281,   5.879)  (-43.544,  13.290,   5.879)  ( 0.02,  0.06,  0.00)
177:     torsion (  0.360,  -0.156,   1.756)  (  0.360,  -0.156,   1.761)  ( 0.00,  0.00,  0.32)
177:     oop     ( -0.056,   0.054,  -0.676)  ( -0.056,   0.054,  -0.675)  ( 0.00,  0.00,  0.05)
177:     vdw     ( 21.895, -15.986,  -3.850)  ( 21.895, -15.985,  -3.850)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.168,   0.214,  -0.149)  ( -0.168,   0.214,  -0.149)  ( 0.00,  0.00,  0.00)
177: 20       ( 33.861, -14.075,  -4.471)  ( 33.896, -14.037,  -4.464)  ( 0.10,  0.27,  0.17)
177:     bond    (-68.040,   7.618,   7.671)  (-68.016,   7.647,   7.672)  ( 0.04,  0.38,  0.01)
177:     angle   ( 76.836, -12.707,  -9.348)  ( 76.845, -12.699,  -9.347)  ( 0.01,  0.06,  0.00)
177:     torsion (  0.614,   0.590,   2.084)  (  0.614,   0.590,   2.090)  ( 0.00,  0.00,  0.27)
177:     oop     ( -0.077,   0.050,  -0.633)  ( -0.077,   0.050,  -0.633)  ( 0.00,  0.00,  0.04)
177:     vdw     ( 24.478,  -9.518,  -4.065)  ( 24.478,  -9.517,  -4.065)  ( 0.00,  0.01,  0.00)
177:     electro (  0.052,  -0.108,  -0.180)  (  0.052,  -0.108,  -0.180)  ( 0.00,  0.00,  0.00)
177: 21       (-75.195, -94.709, -19.957)  (-75.167, -94.680, -19.932)  ( 0.04,  0.03,  0.13)
177:     bond    ( 19.062, -134.756,  15.494)  ( 19.079, -134.736,  15.511)  ( 0.09,  0.02,  0.11)
177:     angle   (-89.681,  26.976, -66.234)  (-89.670,  26.985, -66.227)  ( 0.01,  0.03,  0.01)
177:     torsion ( -3.611,   9.328,  32.657)  ( -3.611,   9.329,  32.658)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.154,   3.733,  -1.804)  ( -1.154,   3.733,  -1.804)  ( 0.01,  0.00,  0.00)
177:     electro (  0.189,   0.010,  -0.070)  (  0.189,   0.010,  -0.070)  ( 0.00,  0.00,  0.00)
177: 22       (-43.849,  35.946,  22.482)  (-43.823,  35.972,  22.509)  ( 0.06,  0.07,  0.12)
177:     bond    ( -1.607,  16.616,   5.991)  ( -1.588,  16.634,   6.010)  ( 1.16,  0.11,  0.31)
177:     angle   (-44.070,  -0.727,  18.021)  (-44.063,  -0.719,  18.029)  ( 0.02,  0.57,  0.05)
177:     torsion (  0.893,  -0.137,   1.141)  (  0.893,  -0.137,   1.141)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.119,  19.447,  -1.705)  (  0.119,  19.448,  -1.705)  ( 0.00,  0.00,  0.00)
177:     electro (  0.815,   0.747,  -0.966)  (  0.815,   0.747,  -0.966)  ( 0.00,  0.00,  0.00)
177: 23       ( 40.128,  62.376, -18.735)  ( 40.155,  62.403, -18.709)  ( 0.07,  0.04,  0.14)
177:     bond    (  7.688,  25.680,  -0.842)  (  7.706,  25.698,  -0.823)  ( 0.23,  0.07,  1.60)
177:     angle   ( 45.824,   9.442,  -7.751)  ( 45.832,   9.449,  -7.744)  ( 0.02,  0.08,  0.09)
177:     torsion (  1.073,  -0.468,   3.006)  (  1.073,  -0.468,   3.006)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.139,  27.642, -12.904)  (-15.139,  27.642, -12.904)  ( 0.00,  0.00,  0.00)
177:     electro (  0.683,   0.081,  -0.245)  (  0.683,   0.081,  -0.245)  ( 0.00,  0.00,  0.00)
177: 24       (-35.350,  24.158, -20.842)  (-35.322,  24.186, -20.816)  ( 0.08,  0.12,  0.12)
177:     bond    (-17.074, -20.890,   6.795)  (-17.055, -20.874,   6.814)  ( 0.11,  0.08,  0.28)
177:     angle   (-34.211,  74.889, -31.291)  (-34.202,  74.900, -31.285)  ( 0.03,  0.01,  0.02)
177:     torsion (  0.030,  -0.597,  -2.797)  (  0.030,  -0.597,  -2.797)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.941, -29.333,   6.141)  ( 15.941, -29.332,   6.141)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.036,   0.090,   0.311)  ( -0.036,   0.090,   0.311)  ( 0.00,  0.00,  0.00)
177: 25       ( -4.005, -35.757,   9.757)  ( -3.978, -35.729,   9.783)  ( 0.68,  0.08,  0.27)
177:     bond    (-19.308, -21.655,   3.878)  (-19.290, -21.638,   3.896)  ( 0.09,  0.08,  0.48)
177:     angle   (-12.970, -44.781,  10.202)  (-12.962, -44.772,  10.210)  ( 0.07,  0.02,  0.08)
177:     torsion (  0.291,  -1.681,  -0.670)  (  0.291,  -1.681,  -0.669)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 28.060,  32.404,  -3.626)  ( 28.061,  32.404,  -3.626)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.078,  -0.042,  -0.027)  ( -0.078,  -0.042,  -0.027)  ( 0.00,  0.00,  0.00)
177: 26       (-12.718,  32.035, -17.139)  (-12.693,  32.063, -17.112)  ( 0.20,  0.09,  0.16)
177:     bond    ( 26.194,  -4.992, -20.042)  ( 26.211,  -4.974, -20.024)  ( 0.06,  0.36,  0.09)
177:     angle   (-34.739,  37.730,  -1.113)  (-34.730,  37.740,  -1.104)  ( 0.02,  0.03,  0.80)
177:     torsion ( -1.357,   1.201,   3.532)  ( -1.357,   1.201,   3.533)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.664,  -2.061,  -0.071)  ( -2.664,  -2.061,  -0.071)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.152,   0.156,   0.554)  ( -0.152,   0.156,   0.554)  ( 0.00,  0.00,  0.00)
177: 27       (-21.880, -34.632,  -0.479)  (-21.853, -34.605,  -0.453)  ( 0.12,  0.08,  1.27)
177:     bond    (-14.761,  -7.627,  -1.929)  (-14.743,  -7.610,  -1.910)  ( 0.12,  0.23,  0.95)
177:     angle   (-11.619, -28.651,  -4.838)  (-11.610, -28.642,  -4.830)  ( 0.07,  0.03,  0.16)
177:     torsion (  0.246,  -1.631,   2.532)  (  0.246,  -1.631,   2.532)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.254,   3.276,   3.753)  (  4.254,   3.276,   3.753)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.001,   0.001,   0.002)  ( -0.001,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
177: 28       (-68.563,   7.677,  62.614)  (-68.536,   7.704,  62.641)  ( 0.04,  0.35,  0.04)
177:     bond    ( -6.862,  14.567,  27.689)  ( -6.845,  14.586,  27.706)  ( 0.25,  0.13,  0.06)
177:     angle   (-56.818,  -9.228,  33.605)  (-56.808,  -9.219,  33.614)  ( 0.02,  0.09,  0.03)
177:     torsion ( -0.326,   6.423,   2.908)  ( -0.326,   6.423,   2.908)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.961,  -4.071,  -1.336)  ( -6.960,  -4.071,  -1.336)  ( 0.01,  0.00,  0.00)
177:     electro (  2.404,  -0.015,  -0.252)  (  2.404,  -0.015,  -0.252)  ( 0.00,  0.00,  0.00)
177: 29       ( 97.566,  39.234,  49.639)  ( 97.592,  39.261,  49.667)  ( 0.03,  0.07,  0.06)
177:     bond    ( 38.958,   1.760, -15.397)  ( 38.975,   1.780, -15.379)  ( 0.04,  1.10,  0.12)
177:     angle   ( 47.662,  38.092,  64.344)  ( 47.671,  38.100,  64.354)  ( 0.02,  0.02,  0.01)
177:     torsion ( -0.571,  -2.671,   1.376)  ( -0.571,  -2.671,   1.376)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.548,   2.593,   0.651)  ( 11.548,   2.593,   0.651)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.031,  -0.541,  -1.335)  ( -0.031,  -0.541,  -1.335)  ( 0.00,  0.00,  0.00)
177: 30       (-211.241,   2.375, -460.366)  (-211.218,   2.392, -460.326)  ( 0.01,  0.73,  0.01)
177:     bond    (-93.984, 105.320, -344.512)  (-93.969, 105.332, -344.479)  ( 0.02,  0.01,  0.01)
177:     angle   (-135.067, -96.566, -99.825)  (-135.060, -96.561, -99.819)  ( 0.01,  0.01,  0.01)
177:     torsion (  3.176,  -4.069,   1.071)  (  3.176,  -4.069,   1.071)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.760,  -1.588,  -9.710)  ( 11.761,  -1.588,  -9.710)  ( 0.00,  0.00,  0.00)
177:     electro (  2.875,  -0.722,  -7.390)  (  2.875,  -0.723,  -7.390)  ( 0.00,  0.00,  0.00)
177: 31       ( 84.573, -65.899, 260.818)  ( 84.577, -65.890, 260.838)  ( 0.00,  0.01,  0.01)
177:     bond    (-23.042, -129.937, 215.320)  (-23.041, -129.929, 215.340)  ( 0.01,  0.01,  0.01)
177:     angle   (104.345,  56.237,  45.097)  (104.348,  56.238,  45.097)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.582,   2.176,   1.144)  ( -1.582,   2.176,   1.144)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.150,   6.735,  -1.246)  (  7.150,   6.735,  -1.246)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.298,  -1.110,   0.503)  ( -2.298,  -1.110,   0.503)  ( 0.00,  0.00,  0.00)
177: 32       (153.921,  45.857, 101.832)  (153.929,  45.858, 101.846)  ( 0.01,  0.00,  0.01)
177:     bond    ( 88.385,   2.775, 131.073)  ( 88.390,   2.774, 131.086)  ( 0.01,  0.02,  0.01)
177:     angle   ( 29.465,  35.231, -20.615)  ( 29.466,  35.233, -20.614)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 40.401,   7.952, -10.988)  ( 40.402,   7.952, -10.988)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.330,  -0.101,   2.362)  ( -4.330,  -0.101,   2.362)  ( 0.00,  0.00,  0.00)
177: 33       ( 34.599,   8.773,  17.015)  ( 34.601,   8.792,  17.029)  ( 0.01,  0.23,  0.09)
177:     bond    ( -0.931,  -0.094,  13.188)  ( -0.931,  -0.076,  13.198)  ( 0.00,  0.17,  0.08)
177:     angle   ( 37.679,  -5.459,   3.706)  ( 37.681,  -5.457,   3.710)  ( 0.01,  0.03,  0.12)
177:     torsion ( -2.198,   0.487,  -0.359)  ( -2.198,   0.487,  -0.359)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.106,  13.218,   8.037)  (  6.106,  13.219,   8.037)  ( 0.01,  0.00,  0.00)
177:     electro ( -6.057,   0.619,  -7.557)  ( -6.057,   0.619,  -7.557)  ( 0.00,  0.00,  0.00)
177: 34       ( 33.130,   5.463, -20.134)  ( 33.150,   5.466, -20.118)  ( 0.06,  0.05,  0.08)
177:     bond    ( 36.819,   7.564, -22.250)  ( 36.835,   7.564, -22.238)  ( 0.04,  0.01,  0.06)
177:     angle   ( 20.113,   0.836, -26.169)  ( 20.115,   0.838, -26.166)  ( 0.01,  0.17,  0.01)
177:     torsion (  0.873,  -4.115,  -0.376)  (  0.873,  -4.115,  -0.376)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-19.554,   7.633,  28.136)  (-19.553,   7.633,  28.136)  ( 0.01,  0.00,  0.00)
177:     electro ( -5.121,  -6.454,   0.526)  ( -5.121,  -6.454,   0.526)  ( 0.00,  0.00,  0.00)
177: 35       ( -1.397,  -2.301,  -2.598)  ( -1.382,  -2.298,  -2.596)  ( 1.02,  0.14,  0.07)
177:     bond    ( -0.207,   0.003,   0.020)  ( -0.193,   0.003,   0.021)  ( 0.30,  0.00,  0.00)
177:     angle   ( -0.154,  -3.078,  -1.048)  ( -0.154,  -3.075,  -1.048)  ( 0.00,  0.10,  0.03)
177:     torsion ( -0.177,   0.616,  -1.738)  ( -0.177,   0.616,  -1.737)  ( 0.00,  0.01,  0.07)
177:     oop     ( -0.010,   0.032,  -0.094)  ( -0.010,   0.032,  -0.094)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.430,   0.011,   0.053)  ( -0.430,   0.011,   0.053)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.419,   0.115,   0.210)  ( -0.419,   0.115,   0.210)  ( 0.00,  0.00,  0.00)
177: 36       ( -3.638,  -2.095,   2.460)  ( -3.633,  -2.084,   2.463)  ( 0.16,  0.52,  0.11)
177:     bond    ( -0.077,   0.125,   0.050)  ( -0.074,   0.135,   0.052)  ( 0.02,  0.13,  0.01)
177:     angle   ( -4.012,  -2.038,  -0.376)  ( -4.009,  -2.037,  -0.376)  ( 0.07,  0.03,  0.00)
177:     torsion (  0.205,  -0.846,   2.500)  (  0.205,  -0.846,   2.501)  ( 0.00,  0.01,  0.05)
177:     oop     ( -0.015,   0.069,  -0.201)  ( -0.015,   0.069,  -0.201)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.199,   0.358,   0.149)  ( -0.199,   0.358,   0.149)  ( 0.00,  0.00,  0.00)
177:     electro (  0.459,   0.237,   0.338)  (  0.459,   0.237,   0.338)  ( 0.00,  0.00,  0.00)
177: 37       ( -2.211,  -0.190,  -2.679)  ( -2.204,  -0.179,  -2.676)  ( 0.31,  0.20,  0.09)
177:     bond    (  0.399,   0.635,   0.185)  (  0.403,   0.645,   0.186)  ( 0.15,  0.62,  0.02)
177:     angle   ( 13.594,  -7.458,  -3.603)  ( 13.596,  -7.457,  -3.603)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.415,  -1.567,   4.535)  (  0.415,  -1.567,   4.536)  ( 0.00,  0.01,  0.03)
177:     oop     (  0.038,  -0.140,   0.405)  (  0.038,  -0.140,   0.406)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.930,   8.881,  -5.857)  (-17.930,   8.881,  -5.856)  ( 0.00,  0.00,  0.00)
177:     electro (  1.275,  -0.541,   1.656)  (  1.275,  -0.541,   1.656)  ( 0.00,  0.00,  0.00)
177: 38       (  9.311,   1.352,  -6.637)  (  9.316,   1.363,  -6.634)  ( 0.06,  0.81,  0.04)
177:     bond    (  1.512,  -2.888,  -1.076)  (  1.515,  -2.878,  -1.074)  ( 0.19,  0.35,  0.13)
177:     angle   ( 10.740,   5.305,   0.937)  ( 10.743,   5.306,   0.937)  ( 0.03,  0.01,  0.00)
177:     torsion ( -0.305,   1.578,  -4.657)  ( -0.305,   1.578,  -4.656)  ( 0.00,  0.01,  0.03)
177:     oop     ( -0.137,   0.409,  -1.289)  ( -0.137,   0.409,  -1.289)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -1.519,  -2.932,  -0.753)  ( -1.519,  -2.932,  -0.753)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.980,  -0.120,   0.202)  ( -0.980,  -0.120,   0.202)  ( 0.00,  0.00,  0.00)
177: 39       (  1.298,  -0.194,  -7.079)  (  1.305,  -0.183,  -7.077)  ( 0.51,  0.21,  0.03)
177:     bond    ( -0.224,  -0.345,  -0.086)  ( -0.220,  -0.335,  -0.086)  ( 0.09,  0.33,  0.01)
177:     angle   (  2.452,  -1.417,  -0.765)  (  2.455,  -1.417,  -0.765)  ( 0.10,  0.06,  0.02)
177:     torsion ( -0.666,   1.960,  -5.949)  ( -0.666,   1.960,  -5.948)  ( 0.00,  0.01,  0.02)
177:     oop     ( -0.029,   0.088,  -0.271)  ( -0.029,   0.088,  -0.271)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.201,  -0.365,  -0.080)  ( -0.201,  -0.365,  -0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.034,  -0.115,   0.073)  ( -0.034,  -0.115,   0.073)  ( 0.00,  0.00,  0.00)
177: 40       (-27.304,  17.741, -19.481)  (-27.298,  17.750, -19.474)  ( 0.02,  0.05,  0.04)
177:     bond    ( -4.047,   6.668,   5.962)  ( -4.044,   6.676,   5.968)  ( 0.07,  0.12,  0.11)
177:     angle   (-32.259,  -8.720, -12.106)  (-32.256,  -8.719, -12.106)  ( 0.01,  0.00,  0.00)
177:     torsion (  6.889,  17.653, -15.079)  (  6.889,  17.653, -15.078)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.215,  -0.181,   0.385)  (  0.215,  -0.181,   0.385)  ( 0.00,  0.00,  0.00)
177:     electro (  1.899,   2.322,   1.356)  (  1.899,   2.322,   1.356)  ( 0.00,  0.00,  0.00)
177: 41       (-10.604, -14.059,  10.085)  (-10.592, -14.053,  10.085)  ( 0.11,  0.05,  0.01)
177:     bond    ( 13.925,  -8.026,   2.285)  ( 13.936,  -8.022,   2.285)  ( 0.08,  0.04,  0.01)
177:     angle   ( -0.807,  -1.358,   0.155)  ( -0.806,  -1.357,   0.156)  ( 0.04,  0.10,  0.00)
177:     torsion (  0.151,  -0.329,  -2.076)  (  0.151,  -0.329,  -2.076)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.770,  -3.334,   8.228)  (-22.769,  -3.333,   8.228)  ( 0.00,  0.04,  0.00)
177:     electro ( -1.103,  -1.013,   1.492)  ( -1.103,  -1.013,   1.492)  ( 0.00,  0.00,  0.00)
177: 42       (  0.370,   6.728,  -6.496)  (  0.381,   6.735,  -6.494)  ( 0.40,  0.11,  0.03)
177:     bond    (-12.221,   8.165,   2.759)  (-12.211,   8.170,   2.760)  ( 0.08,  0.05,  0.02)
177:     angle   ( 12.308,  18.327,   0.205)  ( 12.309,  18.329,   0.205)  ( 0.01,  0.01,  0.00)
177:     torsion ( -2.872,   2.247, -19.362)  ( -2.872,   2.247, -19.361)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.023,   0.017,  -0.155)  ( -0.023,   0.017,  -0.154)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.920, -22.664,   8.579)  (  3.920, -22.664,   8.579)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.741,   0.636,   1.477)  ( -0.741,   0.636,   1.477)  ( 0.00,  0.00,  0.00)
177: 43       ( -2.306,   1.427,   5.607)  ( -2.294,   1.432,   5.609)  ( 0.55,  0.36,  0.03)
177:     bond    ( -0.821,  -0.350,   0.047)  ( -0.809,  -0.347,   0.047)  ( 1.00,  0.08,  0.00)
177:     angle   ( -1.083,   2.567,   0.368)  ( -1.083,   2.570,   0.368)  ( 0.05,  0.11,  0.00)
177:     torsion (  0.510,  -0.522,   4.938)  (  0.510,  -0.522,   4.939)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.007,   0.007,  -0.067)  ( -0.007,   0.007,  -0.067)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.522,  -0.099,  -0.057)  ( -0.522,  -0.099,  -0.057)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.384,  -0.177,   0.379)  ( -0.384,  -0.177,   0.379)  ( 0.00,  0.00,  0.00)
177: 44       ( -5.986,  -2.975,   2.681)  ( -5.983,  -2.961,   2.682)  ( 0.06,  0.48,  0.06)
177:     bond    ( -0.296,  -2.388,  -0.213)  ( -0.295,  -2.374,  -0.213)  ( 0.01,  0.59,  0.00)
177:     angle   ( -5.715,   0.653,   0.641)  ( -5.711,   0.653,   0.641)  ( 0.06,  0.00,  0.00)
177:     torsion (  0.220,  -0.241,   2.378)  (  0.220,  -0.241,   2.380)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.015,   0.016,  -0.163)  ( -0.015,   0.016,  -0.163)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.067,  -0.429,  -0.052)  ( -0.067,  -0.429,  -0.052)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.113,  -0.587,   0.089)  ( -0.113,  -0.587,   0.089)  ( 0.00,  0.00,  0.00)
177: 45       ( -4.994,  -6.103,  -3.487)  ( -4.984,  -6.096,  -3.486)  ( 0.21,  0.12,  0.05)
177:     bond    ( -0.789,   0.563,   0.120)  ( -0.780,   0.568,   0.120)  ( 0.73,  0.28,  0.00)
177:     angle   ( -4.396,  -6.013,  -0.114)  ( -4.395,  -6.011,  -0.114)  ( 0.03,  0.04,  0.00)
177:     torsion ( -0.359,   0.325,  -3.865)  ( -0.359,   0.325,  -3.864)  ( 0.00,  0.00,  0.04)
177:     oop     (  0.031,  -0.024,   0.318)  (  0.031,  -0.024,   0.318)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.303,  -0.582,  -0.053)  (  0.303,  -0.582,  -0.053)  ( 0.00,  0.00,  0.00)
177:     electro (  0.216,  -0.371,   0.107)  (  0.216,  -0.371,   0.107)  ( 0.00,  0.00,  0.00)
177: 46       ( -7.361,  -5.194,  -4.599)  ( -7.348,  -5.189,  -4.597)  ( 0.18,  0.11,  0.03)
177:     bond    (  2.238,   0.795,  -0.211)  (  2.250,   0.797,  -0.210)  ( 0.57,  0.13,  0.00)
177:     angle   (-10.695,  31.175,   3.704)  (-10.695,  31.178,   3.704)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.176,   0.042,  -1.728)  ( -0.176,   0.042,  -1.727)  ( 0.00,  0.00,  0.08)
177:     oop     (  0.041,  -0.027,   0.336)  (  0.041,  -0.027,   0.336)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.682, -36.672,  -6.719)  (  1.682, -36.671,  -6.719)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.450,  -0.507,   0.018)  ( -0.450,  -0.507,   0.018)  ( 0.00,  0.00,  0.00)
177: 47       (  4.005,  15.631,  18.729)  (  4.010,  15.635,  18.741)  ( 0.12,  0.02,  0.06)
177:     bond    (  9.903,   3.121,  20.511)  (  9.906,   3.121,  20.522)  ( 0.03,  0.01,  0.05)
177:     angle   ( -5.970,  10.337,   1.308)  ( -5.968,  10.340,   1.308)  ( 0.03,  0.03,  0.04)
177:     torsion (  0.647,   3.917,  -0.908)  (  0.647,   3.917,  -0.908)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.318,  -1.545,  -2.238)  ( -0.318,  -1.545,  -2.238)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.257,  -0.199,   0.056)  ( -0.257,  -0.199,   0.056)  ( 0.00,  0.00,  0.00)
177: 48       (  9.842,  10.206,  -5.039)  (  9.854,  10.212,  -5.036)  ( 0.12,  0.05,  0.05)
177:     bond    ( -2.986,  -1.468,  -0.385)  ( -2.974,  -1.465,  -0.385)  ( 0.38,  0.18,  0.01)
177:     angle   ( 10.696, -22.969,   4.762)  ( 10.696, -22.967,   4.764)  ( 0.00,  0.01,  0.05)
177:     torsion (  1.009,  -2.897,   3.227)  (  1.009,  -2.897,   3.227)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.209,  38.024, -13.364)  (  1.209,  38.025, -13.364)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.087,  -0.483,   0.722)  ( -0.087,  -0.483,   0.722)  ( 0.00,  0.00,  0.00)
177: 49       (  4.853,  -4.015,  -5.505)  (  4.856,  -4.013,  -5.491)  ( 0.07,  0.05,  0.24)
177:     bond    ( -1.510,   0.203,  -5.553)  ( -1.509,   0.203,  -5.539)  ( 0.07,  0.00,  0.24)
177:     angle   (  5.932,  -9.411,  -1.962)  (  5.934,  -9.409,  -1.962)  ( 0.04,  0.02,  0.01)
177:     torsion (  1.808,   3.507,  -0.364)  (  1.808,   3.507,  -0.364)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.168,   2.278,   2.124)  ( -1.168,   2.278,   2.124)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.210,  -0.592,   0.251)  ( -0.210,  -0.592,   0.251)  ( 0.00,  0.00,  0.00)
177: 50       (  6.321, -10.163,   5.748)  (  6.324, -10.150,   5.751)  ( 0.05,  0.13,  0.05)
177:     bond    (  2.117, -12.995,   3.296)  (  2.118, -12.982,   3.297)  ( 0.02,  0.10,  0.03)
177:     angle   ( 23.690,   2.886,  -3.858)  ( 23.692,   2.886,  -3.856)  ( 0.01,  0.01,  0.06)
177:     torsion ( -2.667,  -1.040,  -2.383)  ( -2.667,  -1.040,  -2.383)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-16.674,   1.224,   8.402)  (-16.674,   1.224,   8.402)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.144,  -0.238,   0.291)  ( -0.144,  -0.238,   0.291)  ( 0.00,  0.00,  0.00)
177: 51       (-11.159,   0.824,   1.383)  (-11.152,   0.828,   1.391)  ( 0.07,  0.31,  0.61)
177:     bond    (  1.143,  -0.477,  -1.327)  (  1.148,  -0.476,  -1.320)  ( 0.50,  0.05,  0.56)
177:     angle   (  5.083, -23.043,  12.744)  (  5.085, -23.041,  12.745)  ( 0.03,  0.01,  0.01)
177:     torsion (  1.056,  -0.829,   1.218)  (  1.056,  -0.829,   1.218)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.079,  25.401, -11.494)  (-18.079,  25.401, -11.494)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.361,  -0.226,   0.242)  ( -0.361,  -0.226,   0.242)  ( 0.00,  0.00,  0.00)
177: 52       (  1.887, -12.873,   2.635)  (  1.891, -12.862,   2.638)  ( 0.25,  0.09,  0.13)
177:     bond    (  5.865, -12.571,   4.407)  (  5.867, -12.561,   4.409)  ( 0.04,  0.08,  0.03)
177:     angle   (-16.261,  -5.126,   7.034)  (-16.259,  -5.126,   7.035)  ( 0.01,  0.01,  0.03)
177:     torsion (  0.084,  -0.277,  -0.902)  (  0.084,  -0.277,  -0.902)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.154,   5.201,  -8.000)  ( 12.154,   5.201,  -7.999)  ( 0.00,  0.00,  0.00)
177:     electro (  0.045,  -0.099,   0.095)  (  0.045,  -0.099,   0.095)  ( 0.00,  0.00,  0.00)
177: 53       ( -4.015,  -6.216,  -4.357)  ( -4.010,  -6.213,  -4.346)  ( 0.14,  0.05,  0.25)
177:     bond    ( -2.836,  -1.117,  -4.722)  ( -2.832,  -1.116,  -4.712)  ( 0.13,  0.05,  0.21)
177:     angle   (  3.989, -18.137,   1.897)  (  3.991, -18.135,   1.898)  ( 0.04,  0.01,  0.04)
177:     torsion ( -0.395,   0.435,   0.134)  ( -0.395,   0.435,   0.134)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.529,  12.962,  -1.841)  ( -4.529,  12.962,  -1.841)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.244,  -0.358,   0.175)  ( -0.244,  -0.358,   0.175)  ( 0.00,  0.00,  0.00)
177: 54       ( 22.763,   4.803,  12.149)  ( 22.766,   4.808,  12.161)  ( 0.01,  0.10,  0.10)
177:     bond    (  0.180,   1.829,  -4.169)  (  0.180,   1.831,  -4.157)  ( 0.00,  0.12,  0.28)
177:     angle   (  0.722,  24.102,  10.649)  (  0.724,  24.104,  10.649)  ( 0.19,  0.01,  0.00)
177:     torsion (  0.581,   0.985,   0.459)  (  0.581,   0.985,   0.459)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 21.197, -22.786,   4.730)  ( 21.197, -22.785,   4.730)  ( 0.00,  0.00,  0.00)
177:     electro (  0.083,   0.673,   0.480)  (  0.083,   0.673,   0.480)  ( 0.00,  0.00,  0.00)
177: 55       ( 21.127,   4.033,  -4.874)  ( 21.130,   4.041,  -4.866)  ( 0.01,  0.21,  0.16)
177:     bond    (  0.015,  -0.237,  -0.235)  (  0.015,  -0.230,  -0.228)  ( 0.00,  0.17,  0.16)
177:     angle   ( 17.782,  11.471, -10.444)  ( 17.784,  11.472, -10.444)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.521,  -0.663,   0.636)  ( -0.521,  -0.663,   0.636)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.327,  -6.987,   3.715)  (  2.327,  -6.987,   3.715)  ( 0.01,  0.00,  0.00)
177:     electro (  1.525,   0.449,   1.454)  (  1.525,   0.449,   1.454)  ( 0.00,  0.00,  0.00)
177: 56       (  3.908,   1.796, -13.266)  (  3.911,   1.802, -13.254)  ( 0.08,  0.30,  0.09)
177:     bond    (  0.874,   8.800, -15.941)  (  0.874,   8.804, -15.930)  ( 0.01,  0.04,  0.07)
177:     angle   ( -5.575,  -7.591,  -4.500)  ( -5.572,  -7.589,  -4.500)  ( 0.04,  0.02,  0.01)
177:     torsion (  1.423,  -0.373,  -0.128)  (  1.423,  -0.373,  -0.128)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.032,   0.080,   6.647)  (  7.033,   0.080,   6.647)  ( 0.01,  0.00,  0.00)
177:     electro (  0.153,   0.879,   0.657)  (  0.153,   0.879,   0.657)  ( 0.00,  0.00,  0.00)
177: 57       ( -0.993,   9.172,   6.879)  ( -0.990,   9.180,   6.888)  ( 0.32,  0.09,  0.12)
177:     bond    ( -0.691,  10.301,  11.010)  ( -0.691,  10.308,  11.018)  ( 0.01,  0.06,  0.07)
177:     angle   (  1.902,  -2.517,   2.472)  (  1.905,  -2.516,   2.473)  ( 0.13,  0.04,  0.04)
177:     torsion ( -1.228,   1.073,  -1.081)  ( -1.228,   1.073,  -1.081)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.546,   0.031,  -5.692)  ( -0.545,   0.031,  -5.692)  ( 0.03,  0.00,  0.00)
177:     electro ( -0.430,   0.284,   0.170)  ( -0.430,   0.284,   0.170)  ( 0.00,  0.00,  0.00)
177: 58       ( -3.180, -10.598,   1.768)  ( -3.177, -10.591,   1.778)  ( 0.08,  0.07,  0.56)
177:     bond    ( -0.166,  -6.219,   7.992)  ( -0.166,  -6.213,   8.001)  ( 0.00,  0.09,  0.11)
177:     angle   ( -4.819,  -4.069,  -3.260)  ( -4.816,  -4.067,  -3.259)  ( 0.05,  0.04,  0.03)
177:     torsion (  1.374,  -1.374,  -1.038)  (  1.374,  -1.374,  -1.038)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.903,   1.531,  -0.692)  (  0.903,   1.531,  -0.692)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.471,  -0.467,  -1.234)  ( -0.471,  -0.467,  -1.234)  ( 0.00,  0.00,  0.00)
177: 59       ( -1.672,  -1.065, -14.649)  ( -1.669,  -1.057, -14.640)  ( 0.19,  0.73,  0.06)
177:     bond    (  1.255,  11.287, -12.325)  (  1.255,  11.294, -12.318)  ( 0.01,  0.06,  0.06)
177:     angle   ( -0.945,   0.841,   0.675)  ( -0.942,   0.842,   0.676)  ( 0.24,  0.09,  0.06)
177:     torsion (  2.095,  -1.868,  -1.500)  (  2.095,  -1.868,  -1.500)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.139, -11.853,  -2.429)  ( -4.138, -11.853,  -2.428)  ( 0.01,  0.00,  0.00)
177:     electro (  0.062,   0.529,   0.929)  (  0.062,   0.529,   0.929)  ( 0.00,  0.00,  0.00)
177: 60       (  4.180,   0.851,  15.801)  (  4.183,   0.856,  15.812)  ( 0.08,  0.44,  0.07)
177:     bond    (  1.295,   8.702,  15.115)  (  1.295,   8.705,  15.125)  ( 0.01,  0.04,  0.07)
177:     angle   ( 15.182,  -5.824,   2.050)  ( 15.184,  -5.823,   2.051)  ( 0.02,  0.03,  0.02)
177:     torsion ( -1.577,   2.708,  -1.424)  ( -1.577,   2.708,  -1.424)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.178,  -4.507,  -0.246)  (-10.177,  -4.507,  -0.246)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.543,  -0.228,   0.305)  ( -0.543,  -0.228,   0.305)  ( 0.00,  0.00,  0.00)
177: 61       ( -3.607, -11.430, -21.611)  ( -3.604, -11.416, -21.608)  ( 0.08,  0.11,  0.02)
177:     bond    (  0.549,  -8.292,   2.402)  (  0.549,  -8.280,   2.403)  ( 0.01,  0.16,  0.05)
177:     angle   ( -2.924,  -5.064, -16.780)  ( -2.921,  -5.064, -16.778)  ( 0.08,  0.00,  0.01)
177:     torsion ( -0.304,  -2.407,  -8.223)  ( -0.304,  -2.407,  -8.223)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.536,   3.527,   1.222)  ( -1.536,   3.527,   1.222)  ( 0.02,  0.00,  0.00)
177:     electro (  0.607,   0.806,  -0.231)  (  0.607,   0.806,  -0.231)  ( 0.00,  0.00,  0.00)
177: 62       (-13.552,   3.271,  -1.933)  (-13.548,   3.282,  -1.929)  ( 0.02,  0.35,  0.23)
177:     bond    ( -3.163,  10.307,  -4.939)  ( -3.162,  10.318,  -4.937)  ( 0.03,  0.10,  0.05)
177:     angle   ( -7.456,   1.314,   7.520)  ( -7.454,   1.314,   7.522)  ( 0.03,  0.04,  0.03)
177:     torsion ( -2.471,  -0.439,   0.665)  ( -2.471,  -0.439,   0.665)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.193,  -8.816,  -5.036)  ( -1.193,  -8.816,  -5.036)  ( 0.01,  0.00,  0.00)
177:     electro (  0.732,   0.904,  -0.144)  (  0.732,   0.904,  -0.144)  ( 0.00,  0.00,  0.00)
177: 63       ( -1.642,   0.072,   7.768)  ( -1.638,   0.075,   7.781)  ( 0.26,  0.02,  0.16)
177:     bond    (  3.501,   1.811,   9.381)  (  3.502,   1.811,   9.393)  ( 0.05,  0.03,  0.13)
177:     angle   (-11.516,   2.354,   3.839)  (-11.514,   2.356,   3.839)  ( 0.02,  0.09,  0.01)
177:     torsion (  1.522,   1.177,  -0.795)  (  1.522,   1.177,  -0.795)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.241,  -6.128,  -4.764)  (  3.241,  -6.128,  -4.764)  ( 0.01,  0.00,  0.00)
177:     electro (  1.610,   0.859,   0.107)  (  1.610,   0.859,   0.107)  ( 0.00,  0.00,  0.00)
177: 64       (  3.493,   9.960,   4.207)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
177:     bond    (  0.723,   7.398,  -1.973)  (  0.723,   7.412,  -1.972)  ( 0.01,  0.19,  0.05)
177:     angle   ( -0.023,   0.127,   0.468)  ( -0.023,   0.127,   0.470)  ( 0.00,  0.00,  0.09)
177:     torsion (  1.495,  -0.118,   0.105)  (  1.495,  -0.118,   0.105)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
177:     electro (  1.298,   2.553,   5.608)  (  1.298,   2.553,   5.608)  ( 0.00,  0.00,  0.00)
177: 65       (-32.705,   0.634,  27.276)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
177:     bond    (-43.371,  -7.007,   0.973)  (-43.356,  -7.006,   0.974)  ( 0.03,  0.01,  0.02)
177:     angle   (  0.668,  -1.382,  19.777)  (  0.668,  -1.382,  19.779)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.829,   5.186,   0.390)  ( -0.829,   5.186,   0.390)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (    nan,     nan,     nan)  (  nan,   nan,   nan)
177:     electro ( 10.828,   3.837,   6.135)  ( 10.828,   3.837,   6.135)  ( 0.00,  0.00,  0.00)
177: ok 14 # gradients 
177: ok 15 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-26.341, 179.695,  84.974)  (-26.307, 179.722,  84.987)  ( 0.13,  0.02,  0.02)
177:     bond    (-80.184,  67.240,  27.668)  (-80.158,  67.259,  27.676)  ( 0.03,  0.03,  0.03)
177:     angle   ( 50.759, 104.743,  70.672)  ( 50.767, 104.749,  70.675)  ( 0.02,  0.01,  0.00)
177:     torsion (  2.429,   7.968, -13.505)  (  2.429,   7.969, -13.502)  ( 0.00,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.643,  -0.252,   0.142)  (  0.643,  -0.252,   0.142)  ( 0.00,  0.00,  0.00)
177:     electro (  0.012,  -0.003,  -0.004)  (  0.012,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
177:  2       (-221.600, -93.476, -82.982)  (-221.567, -93.449, -82.969)  ( 0.02,  0.03,  0.02)
177:     bond    (-162.222, -46.795, -64.231)  (-162.197, -46.775, -64.224)  ( 0.02,  0.04,  0.01)
177:     angle   (-55.886, -36.407, -31.703)  (-55.878, -36.401, -31.700)  ( 0.01,  0.02,  0.01)
177:     torsion ( -3.084,  -8.383,  14.257)  ( -3.084,  -8.381,  14.262)  ( 0.01,  0.02,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.426,  -1.691,  -1.215)  ( -0.426,  -1.691,  -1.215)  ( 0.00,  0.00,  0.00)
177:     electro (  0.018,  -0.201,  -0.091)  (  0.018,  -0.201,  -0.091)  ( 0.00,  0.00,  0.00)
177:  3       (733.756, -926.168, -450.739)  (733.785, -926.141, -450.725)  ( 0.00,  0.00,  0.00)
177:     bond    (715.451, -934.338, -440.862)  (715.477, -934.316, -440.850)  ( 0.00,  0.00,  0.00)
177:     angle   ( 16.605,  -5.824,  12.516)  ( 16.607,  -5.819,  12.517)  ( 0.02,  0.08,  0.01)
177:     torsion (  4.699,  13.992, -22.724)  (  4.699,  13.993, -22.722)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.952,   0.158,   0.563)  ( -2.951,   0.158,   0.563)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.047,  -0.157,  -0.233)  ( -0.047,  -0.157,  -0.233)  ( 0.00,  0.00,  0.00)
177:  4       (-544.374, 1014.483, 533.741)  (-544.344, 1014.503, 533.751)  ( 0.01,  0.00,  0.00)
177:     bond    (-540.835, 1016.531, 533.608)  (-540.805, 1016.551, 533.618)  ( 0.01,  0.00,  0.00)
177:     angle   ( -0.021,  -0.029,  -0.009)  ( -0.021,  -0.029,  -0.009)  ( 0.00,  0.00,  0.00)
177:     torsion ( -1.023,  -3.191,   1.716)  ( -1.023,  -3.190,   1.716)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.669,   1.628,  -1.464)  ( -1.669,   1.628,  -1.463)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.826,  -0.456,  -0.110)  ( -0.826,  -0.456,  -0.110)  ( 0.00,  0.00,  0.00)
177:  5       (-93.744, -300.514, -176.809)  (-93.716, -300.491, -176.798)  ( 0.03,  0.01,  0.01)
177:     bond    (  6.436, -205.333, -129.111)  (  6.461, -205.313, -129.103)  ( 0.38,  0.01,  0.01)
177:     angle   (-90.395, -87.897, -67.119)  (-90.392, -87.894, -67.117)  ( 0.00,  0.00,  0.00)
177:     torsion ( -3.711, -12.855,  20.305)  ( -3.711, -12.855,  20.306)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.999,   3.743,  -2.154)  ( -4.999,   3.743,  -2.154)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.075,   1.829,   1.270)  ( -1.075,   1.828,   1.270)  ( 0.00,  0.00,  0.00)
177:  6       (488.052, -1161.301, 137.157)  (488.083, -1161.275, 137.161)  ( 0.01,  0.00,  0.00)
177:     bond    (484.183, -1164.859, 131.653)  (484.214, -1164.833, 131.657)  ( 0.01,  0.00,  0.00)
177:     angle   (  0.022,   0.028,   0.008)  (  0.022,   0.028,   0.008)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.048,   3.836,   6.817)  (  1.048,   3.836,   6.818)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.975,  -0.747,  -1.547)  (  1.975,  -0.747,  -1.547)  ( 0.00,  0.01,  0.00)
177:     electro (  0.824,   0.441,   0.225)  (  0.824,   0.441,   0.225)  ( 0.00,  0.00,  0.00)
177:  7       (120.329, 342.533, -45.999)  (120.358, 342.564, -45.996)  ( 0.02,  0.01,  0.01)
177:     bond    (  8.785, 239.921, -25.604)  (  8.810, 239.948, -25.604)  ( 0.29,  0.01,  0.00)
177:     angle   (105.569, 108.819, -18.888)  (105.572, 108.823, -18.887)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.854,  -1.117,   0.334)  ( -0.854,  -1.116,   0.336)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.877,  -2.849,  -2.436)  (  5.877,  -2.848,  -2.436)  ( 0.00,  0.00,  0.00)
177:     electro (  0.952,  -2.242,   0.595)  (  0.952,  -2.242,   0.595)  ( 0.00,  0.00,  0.00)
177:  8       (  9.605, -199.227,  26.960)  (  9.640, -199.192,  26.965)  ( 0.37,  0.02,  0.02)
177:     bond    ( 76.676, -75.909,   3.494)  ( 76.703, -75.882,   3.494)  ( 0.04,  0.04,  0.00)
177:     angle   (-66.537, -124.364,  14.394)  (-66.528, -124.356,  14.394)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.153,   0.851,   8.951)  (  0.153,   0.851,   8.955)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.677,   0.189,   0.125)  ( -0.677,   0.189,   0.125)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.011,   0.005,  -0.004)  ( -0.011,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
177:  9       (234.083, 110.808,  -5.687)  (234.117, 110.843,  -5.681)  ( 0.01,  0.03,  0.09)
177:     bond    (168.822,  63.419, -12.849)  (168.848,  63.446, -12.850)  ( 0.02,  0.04,  0.00)
177:     angle   ( 64.031,  43.820,  -7.539)  ( 64.039,  43.829,  -7.540)  ( 0.01,  0.02,  0.00)
177:     torsion (  0.607,   1.401,  15.070)  (  0.607,   1.401,  15.076)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.642,   1.953,  -0.380)  (  0.642,   1.953,  -0.380)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.018,   0.214,   0.012)  ( -0.018,   0.214,   0.012)  ( 0.00,  0.00,  0.00)
177: 10       (-703.642, 1063.270, -121.206)  (-703.612, 1063.304, -121.199)  ( 0.00,  0.00,  0.01)
177:     bond    (-668.979, 1057.194, -118.164)  (-668.952, 1057.223, -118.160)  ( 0.00,  0.00,  0.00)
177:     angle   (-36.514,   9.643,  24.582)  (-36.512,   9.649,  24.582)  ( 0.01,  0.06,  0.00)
177:     torsion ( -0.835,  -3.339, -28.417)  ( -0.835,  -3.339, -28.415)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.621,  -0.462,   0.922)  (  2.621,  -0.462,   0.922)  ( 0.00,  0.00,  0.00)
177:     electro (  0.065,   0.232,  -0.128)  (  0.065,   0.232,  -0.128)  ( 0.00,  0.00,  0.00)
177: 11       (-92.037, -219.425,  15.503)  (-92.011, -219.395,  15.528)  ( 0.03,  0.01,  0.16)
177:     bond    (-44.807, -79.240,   7.516)  (-44.789, -79.219,   7.535)  ( 0.04,  0.03,  0.25)
177:     angle   (-49.035, -135.591,   4.959)  (-49.028, -135.582,   4.965)  ( 0.02,  0.01,  0.11)
177:     torsion (  0.089,   0.165,   2.005)  (  0.089,   0.165,   2.006)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.297,  -4.237,   1.078)  (  1.297,  -4.237,   1.078)  ( 0.01,  0.00,  0.00)
177:     electro (  0.420,  -0.522,  -0.056)  (  0.420,  -0.522,  -0.056)  ( 0.00,  0.00,  0.00)
177: 12       ( -8.510,  24.281,  -8.300)  ( -8.498,  24.288,  -8.299)  ( 0.14,  0.03,  0.01)
177:     bond    (  3.190,   1.811,  -0.170)  (  3.201,   1.815,  -0.170)  ( 0.35,  0.20,  0.00)
177:     angle   (-13.096,  23.042,  -0.548)  (-13.096,  23.044,  -0.548)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.096,  -0.535,  -7.539)  ( -0.096,  -0.535,  -7.538)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.157,   0.114,   0.005)  ( -0.157,   0.114,   0.005)  ( 0.00,  0.00,  0.00)
177:     electro (  1.650,  -0.151,  -0.048)  (  1.650,  -0.151,  -0.048)  ( 0.00,  0.00,  0.00)
177: 13       (-29.862, -44.197,   2.041)  (-29.853, -44.188,   2.043)  ( 0.03,  0.02,  0.08)
177:     bond    (  5.580,  -5.166,   0.418)  (  5.588,  -5.160,   0.418)  ( 0.14,  0.13,  0.00)
177:     angle   (-36.346, -38.897,   5.727)  (-36.345, -38.895,   5.727)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.092,  -0.424,  -4.005)  ( -0.092,  -0.424,  -4.003)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.083,   0.130,  -0.072)  (  1.083,   0.130,  -0.072)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.087,   0.160,  -0.027)  ( -0.087,   0.160,  -0.027)  ( 0.00,  0.00,  0.00)
177: 14       ( 94.864, 200.588, 114.433)  ( 94.890, 200.617, 114.459)  ( 0.03,  0.01,  0.02)
177:     bond    ( 41.007,  67.471,  46.997)  ( 41.024,  67.492,  47.016)  ( 0.04,  0.03,  0.04)
177:     angle   ( 56.551, 129.171,  64.070)  ( 56.559, 129.179,  64.077)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.117,  -0.306,   0.514)  ( -0.117,  -0.306,   0.514)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.106,   3.726,   2.744)  ( -2.106,   3.726,   2.744)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.472,   0.526,   0.108)  ( -0.472,   0.526,   0.108)  ( 0.00,  0.00,  0.00)
177: 15       ( 11.332, -23.890, -12.754)  ( 11.343, -23.885, -12.750)  ( 0.10,  0.02,  0.03)
177:     bond    ( -2.993,  -1.390,  -1.422)  ( -2.983,  -1.388,  -1.420)  ( 0.34,  0.16,  0.16)
177:     angle   ( 15.978, -21.946, -12.114)  ( 15.979, -21.944, -12.114)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.194,  -0.653,   1.044)  ( -0.194,  -0.652,   1.045)  ( 0.00,  0.02,  0.09)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.155,  -0.116,  -0.022)  (  0.155,  -0.116,  -0.022)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.614,   0.215,  -0.241)  ( -1.614,   0.215,  -0.241)  ( 0.00,  0.00,  0.00)
177: 16       ( 26.763,  36.848,  27.200)  ( 26.773,  36.856,  27.202)  ( 0.04,  0.02,  0.01)
177:     bond    ( -5.931,   4.794,   1.716)  ( -5.922,   4.800,   1.717)  ( 0.14,  0.11,  0.04)
177:     angle   ( 33.396,  31.558,  26.977)  ( 33.398,  31.559,  26.977)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.258,   0.709,  -1.097)  (  0.258,   0.710,  -1.095)  ( 0.00,  0.03,  0.11)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.068,  -0.086,  -0.304)  ( -1.068,  -0.086,  -0.304)  ( 0.00,  0.00,  0.00)
177:     electro (  0.107,  -0.127,  -0.093)  (  0.107,  -0.127,  -0.093)  ( 0.00,  0.00,  0.00)
177: 17       ( 39.771, 101.216,  64.066)  ( 39.773, 101.229,  64.071)  ( 0.01,  0.01,  0.01)
177:     bond    (-11.976,  98.669,  56.715)  (-11.975,  98.681,  56.720)  ( 0.01,  0.01,  0.01)
177:     angle   ( 48.261,   1.230,   8.049)  ( 48.263,   1.230,   8.049)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.146,   0.573,  -0.966)  (  0.146,   0.573,  -0.965)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.339,   0.040,   0.283)  (  0.339,   0.040,   0.283)  ( 0.00,  0.00,  0.00)
177:     electro (  3.000,   0.705,  -0.016)  (  3.000,   0.705,  -0.016)  ( 0.00,  0.00,  0.00)
177: 18       (-53.140, -113.275,  31.092)  (-53.138, -113.259,  31.093)  ( 0.00,  0.01,  0.00)
177:     bond    (  4.991, -112.248,  19.822)  (  4.991, -112.231,  19.823)  ( 0.01,  0.01,  0.01)
177:     angle   (-55.366,  -1.628,   4.725)  (-55.364,  -1.628,   4.725)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.578,   1.299,   7.208)  (  0.578,   1.299,   7.209)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.375,  -0.137,   0.175)  ( -0.375,  -0.137,   0.175)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.967,  -0.562,  -0.839)  ( -2.967,  -0.562,  -0.839)  ( 0.00,  0.00,  0.00)
177: 19       (-37.239, -77.614, -48.643)  (-37.232, -77.608, -48.638)  ( 0.02,  0.01,  0.01)
177:     bond    ( 30.052, -29.778, -24.026)  ( 30.058, -29.773, -24.023)  ( 0.02,  0.02,  0.02)
177:     angle   (-68.561, -48.606, -25.545)  (-68.559, -48.605, -25.544)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.009,   1.029,   1.006)  (  1.009,   1.029,   1.006)  ( 0.00,  0.00,  0.00)
177:     electro (  0.260,  -0.259,  -0.078)  (  0.260,  -0.259,  -0.078)  ( 0.00,  0.00,  0.00)
177: 20       (-37.541, -23.181, -49.158)  (-37.534, -23.177, -49.150)  ( 0.02,  0.02,  0.02)
177:     bond    (-33.425,  15.800, -36.942)  (-33.419,  15.801, -36.934)  ( 0.02,  0.01,  0.02)
177:     angle   ( -4.258, -39.416, -13.011)  ( -4.257, -39.414, -13.010)  ( 0.02,  0.01,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.023,   0.938,   1.148)  ( -0.023,   0.938,   1.148)  ( 0.00,  0.00,  0.00)
177:     electro (  0.165,  -0.503,  -0.353)  (  0.165,  -0.503,  -0.353)  ( 0.00,  0.00,  0.00)
177: 21       (-29.750, -59.500,  -4.073)  (-29.744, -59.493,  -4.066)  ( 0.02,  0.01,  0.16)
177:     bond    (-27.296, -32.763,  28.653)  (-27.292, -32.757,  28.657)  ( 0.02,  0.02,  0.02)
177:     angle   ( -2.475, -26.642, -32.810)  ( -2.474, -26.640, -32.808)  ( 0.05,  0.00,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.103,   0.375,   0.081)  (  0.103,   0.375,   0.081)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.081,  -0.470,   0.003)  ( -0.081,  -0.470,   0.003)  ( 0.00,  0.00,  0.00)
177: 22       ( 44.369,  65.787, -26.990)  ( 44.381,  65.790, -26.986)  ( 0.03,  0.00,  0.02)
177:     bond    ( 46.695,   0.174, -23.767)  ( 46.707,   0.175, -23.764)  ( 0.02,  0.00,  0.01)
177:     angle   ( -2.385,  67.344,  -4.194)  ( -2.385,  67.346,  -4.193)  ( 0.02,  0.00,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.121,  -2.368,   1.004)  (  0.121,  -2.368,   1.004)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.061,   0.637,  -0.033)  ( -0.061,   0.637,  -0.033)  ( 0.00,  0.00,  0.00)
177: 23       ( 33.513,  33.559,  34.875)  ( 33.516,  33.564,  34.886)  ( 0.01,  0.01,  0.03)
177:     bond    (  9.700,  21.267,  45.550)  (  9.701,  21.270,  45.562)  ( 0.01,  0.01,  0.02)
177:     angle   ( 24.199,  11.941, -10.729)  ( 24.201,  11.943, -10.728)  ( 0.01,  0.02,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.403,  -0.036,  -0.098)  ( -0.403,  -0.036,  -0.098)  ( 0.00,  0.00,  0.00)
177:     electro (  0.017,   0.387,   0.151)  (  0.017,   0.387,   0.151)  ( 0.00,  0.00,  0.00)
177: 24       ( 40.893,  68.265, -38.893)  ( 40.898,  68.273, -38.888)  ( 0.01,  0.01,  0.01)
177:     bond    (-23.294,  33.180, -26.795)  (-23.290,  33.187, -26.791)  ( 0.01,  0.02,  0.02)
177:     angle   ( 65.430,  35.828, -12.500)  ( 65.432,  35.829, -12.499)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.012,  -1.043,   0.412)  ( -1.012,  -1.043,   0.412)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.231,   0.300,  -0.010)  ( -0.231,   0.300,  -0.010)  ( 0.00,  0.00,  0.00)
177: ok 16 # gradients 
177: ok 17 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (280.385,  79.113, -45.579)  (280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (269.764,  65.096, -61.045)  (269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
177:     angle   ( -0.386,   0.172,  -0.097)  ( -0.379,   0.180,  -0.092)  ( 0.28,  0.15,  0.05)
177:     torsion ( -0.078,   0.077,   0.128)  ( -0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.087,  13.768,  15.435)  ( 11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  2       ( -0.039, 251.973, -153.609)  ( -0.000, 252.014, -153.597)  ( 0.15,  0.02,  0.01)
177:     bond    ( -0.027, 231.339, -164.452)  (  0.000, 231.370, -164.446)  ( 0.07,  0.01,  0.00)
177:     angle   ( -0.010,   0.062,  -0.251)  ( -0.000,   0.070,  -0.248)  ( 0.01,  0.05,  0.09)
177:     torsion ( -0.001,  -0.029,  -0.095)  ( -0.000,  -0.028,  -0.091)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.001,  20.601,  11.189)  (  0.000,  20.601,  11.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.039, -252.054, -153.609)  (  0.000, -252.014, -153.597)  ( 0.15,  0.02,  0.01)
177:     bond    ( -0.027, -231.402, -164.452)  (  0.000, -231.370, -164.446)  ( 0.07,  0.01,  0.00)
177:     angle   ( -0.010,  -0.078,  -0.251)  ( -0.000,  -0.070,  -0.248)  ( 0.01,  0.06,  0.09)
177:     torsion ( -0.001,   0.027,  -0.095)  (  0.000,   0.028,  -0.091)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.001, -20.602,  11.189)  (  0.000, -20.601,  11.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  4       (280.385, -79.182, -45.579)  (280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (269.764, -65.145, -61.045)  (269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
177:     angle   ( -0.386,  -0.189,  -0.097)  ( -0.379,  -0.180,  -0.092)  ( 0.28,  0.16,  0.05)
177:     torsion ( -0.078,  -0.079,   0.128)  ( -0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.087, -13.769,  15.435)  ( 11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-127.758, 175.179, -201.805)  (-127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (-105.528, 167.839, -204.493)  (-105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.037,   0.417,   0.081)  ( -0.030,   0.425,   0.086)  ( 0.03,  0.36,  0.04)
177:     torsion (  0.072,   0.059,  -0.086)  (  0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.266,   6.864,   2.694)  (-22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  6       (-127.758, -175.256, -201.805)  (-127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (-105.528, -167.895, -204.493)  (-105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.037,  -0.434,   0.081)  ( -0.030,  -0.425,   0.086)  ( 0.03,  0.38,  0.04)
177:     torsion (  0.072,  -0.062,  -0.086)  (  0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.266,  -6.865,   2.694)  (-22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  7       (-280.461,  79.113, -45.579)  (-280.423,  79.148, -45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (-269.822,  65.096, -61.045)  (-269.793,  65.121, -61.035)  ( 0.01,  0.04,  0.02)
177:     angle   (  0.372,   0.172,  -0.097)  (  0.379,   0.180,  -0.092)  ( 0.27,  0.15,  0.05)
177:     torsion (  0.076,   0.077,   0.128)  (  0.077,   0.078,   0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.087,  13.768,  15.435)  (-11.087,  13.769,  15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (-280.461, -79.182, -45.579)  (-280.423, -79.148, -45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (-269.822, -65.145, -61.045)  (-269.793, -65.121, -61.035)  ( 0.01,  0.04,  0.02)
177:     angle   (  0.372,  -0.189,  -0.097)  (  0.379,  -0.180,  -0.092)  ( 0.27,  0.16,  0.05)
177:     torsion (  0.076,  -0.079,   0.128)  (  0.077,  -0.078,   0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.087, -13.769,  15.435)  (-11.087, -13.769,  15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:  9       (175.179, 201.756, 127.701)  (175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (167.839, 204.461, 105.488)  (167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
177:     angle   (  0.417,  -0.092,   0.023)  (  0.425,  -0.086,   0.030)  ( 0.36,  0.05,  0.02)
177:     torsion (  0.059,   0.081,  -0.075)  (  0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.864,  -2.694,  22.265)  (  6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 10       ( 45.542, 280.385,  79.113)  ( 45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
177:     bond    ( 61.024, 269.764,  65.096)  ( 61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
177:     angle   (  0.087,  -0.386,   0.172)  (  0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
177:     torsion ( -0.134,  -0.078,   0.077)  ( -0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.435,  11.087,  13.768)  (-15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 11       ( 45.542, -280.461,  79.113)  ( 45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
177:     bond    ( 61.024, -269.822,  65.096)  ( 61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
177:     angle   (  0.087,   0.372,   0.172)  (  0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
177:     torsion ( -0.134,   0.076,   0.077)  ( -0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.435, -11.087,  13.768)  (-15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 12       (175.179, -201.805, 127.701)  (175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (167.839, -204.493, 105.488)  (167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
177:     angle   (  0.417,   0.081,   0.023)  (  0.425,   0.086,   0.030)  ( 0.36,  0.04,  0.02)
177:     torsion (  0.059,  -0.086,  -0.075)  (  0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.864,   2.694,  22.265)  (  6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 13       (201.756, -127.758, -175.256)  (201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (204.461, -105.528, -167.895)  (204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
177:     angle   ( -0.092,  -0.037,  -0.434)  ( -0.086,  -0.030,  -0.425)  ( 0.05,  0.03,  0.38)
177:     torsion (  0.081,   0.072,  -0.062)  (  0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.694, -22.266,  -6.865)  ( -2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       (-79.182,  45.542, -280.461)  (-79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
177:     bond    (-65.145,  61.024, -269.822)  (-65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
177:     angle   ( -0.189,   0.087,   0.372)  ( -0.180,   0.092,   0.379)  ( 0.16,  0.05,  0.27)
177:     torsion ( -0.079,  -0.134,   0.076)  ( -0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.769, -15.435, -11.087)  (-13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 15       (201.756, -127.758, 175.179)  (201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (204.461, -105.528, 167.839)  (204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
177:     angle   ( -0.092,  -0.037,   0.417)  ( -0.086,  -0.030,   0.425)  ( 0.05,  0.03,  0.36)
177:     torsion (  0.081,   0.072,   0.059)  (  0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.694, -22.266,   6.864)  ( -2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 16       (-252.054, 153.584,  -0.039)  (-252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
177:     bond    (-231.402, 164.441,  -0.027)  (-231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
177:     angle   ( -0.078,   0.245,  -0.010)  ( -0.070,   0.248,   0.000)  ( 0.06,  0.08,  0.01)
177:     torsion (  0.027,   0.087,  -0.001)  (  0.028,   0.091,  -0.000)  ( 0.00,  0.03,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-20.602, -11.189,  -0.001)  (-20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 17       (127.701, -175.256, -201.805)  (127.730, -175.217, -201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (105.488, -167.895, -204.493)  (105.508, -167.867, -204.477)  ( 0.02,  0.02,  0.01)
177:     angle   (  0.023,  -0.434,   0.081)  (  0.030,  -0.425,   0.086)  ( 0.02,  0.38,  0.04)
177:     torsion ( -0.075,  -0.062,  -0.086)  ( -0.074,  -0.061,  -0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.265,  -6.865,   2.694)  ( 22.266,  -6.864,   2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 18       (-175.256, 201.756, 127.701)  (-175.217, 201.780, 127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (-167.895, 204.461, 105.488)  (-167.867, 204.477, 105.508)  ( 0.02,  0.01,  0.02)
177:     angle   ( -0.434,  -0.092,   0.023)  ( -0.425,  -0.086,   0.030)  ( 0.38,  0.05,  0.02)
177:     torsion ( -0.062,   0.081,  -0.075)  ( -0.061,   0.083,  -0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.865,  -2.694,  22.265)  ( -6.864,  -2.694,  22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 19       (-79.182,  45.542, 280.385)  (-79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
177:     bond    (-65.145,  61.024, 269.764)  (-65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
177:     angle   ( -0.189,   0.087,  -0.386)  ( -0.180,   0.092,  -0.379)  ( 0.16,  0.05,  0.28)
177:     torsion ( -0.079,  -0.134,  -0.078)  ( -0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.769, -15.435,  11.087)  (-13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 20       ( 79.113,  45.542, -280.461)  ( 79.148,  45.561, -280.423)  ( 0.04,  0.04,  0.01)
177:     bond    ( 65.096,  61.024, -269.822)  ( 65.121,  61.035, -269.793)  ( 0.04,  0.02,  0.01)
177:     angle   (  0.172,   0.087,   0.372)  (  0.180,   0.092,   0.379)  ( 0.15,  0.05,  0.27)
177:     torsion (  0.077,  -0.134,   0.076)  (  0.078,  -0.131,   0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.768, -15.435, -11.087)  ( 13.769, -15.435, -11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 21       (127.701, 175.179, -201.805)  (127.730, 175.217, -201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (105.488, 167.839, -204.493)  (105.508, 167.867, -204.477)  ( 0.02,  0.02,  0.01)
177:     angle   (  0.023,   0.417,   0.081)  (  0.030,   0.425,   0.086)  ( 0.02,  0.36,  0.04)
177:     torsion ( -0.075,   0.059,  -0.086)  ( -0.074,   0.061,  -0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.265,   6.864,   2.694)  ( 22.266,   6.864,   2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 22       (153.584,  -0.039, 251.973)  (153.597,   0.000, 252.014)  ( 0.01,  0.15,  0.02)
177:     bond    (164.441,  -0.027, 231.339)  (164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
177:     angle   (  0.245,  -0.010,   0.062)  (  0.248,  -0.000,   0.070)  ( 0.08,  0.01,  0.05)
177:     torsion (  0.087,  -0.001,  -0.029)  (  0.091,   0.000,  -0.028)  ( 0.03,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.189,  -0.001,  20.601)  (-11.189,   0.000,  20.601)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 23       (201.756, 127.701, -175.256)  (201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (204.461, 105.488, -167.895)  (204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
177:     angle   ( -0.092,   0.023,  -0.434)  ( -0.086,   0.030,  -0.425)  ( 0.05,  0.02,  0.38)
177:     torsion (  0.081,  -0.075,  -0.062)  (  0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.694,  22.265,  -6.865)  ( -2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 24       (-45.579, -280.461,  79.113)  (-45.561, -280.423,  79.148)  ( 0.04,  0.01,  0.04)
177:     bond    (-61.045, -269.822,  65.096)  (-61.035, -269.793,  65.121)  ( 0.02,  0.01,  0.04)
177:     angle   ( -0.097,   0.372,   0.172)  ( -0.092,   0.379,   0.180)  ( 0.05,  0.27,  0.15)
177:     torsion (  0.128,   0.076,   0.077)  (  0.131,   0.077,   0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.435, -11.087,  13.768)  ( 15.435, -11.087,  13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 25       (-79.182, -45.579, -280.461)  (-79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
177:     bond    (-65.145, -61.045, -269.822)  (-65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
177:     angle   ( -0.189,  -0.097,   0.372)  ( -0.180,  -0.092,   0.379)  ( 0.16,  0.05,  0.27)
177:     torsion ( -0.079,   0.128,   0.076)  ( -0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.769,  15.435, -11.087)  (-13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 26       (-175.256, -201.805, 127.701)  (-175.217, -201.780, 127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (-167.895, -204.493, 105.488)  (-167.867, -204.477, 105.508)  ( 0.02,  0.01,  0.02)
177:     angle   ( -0.434,   0.081,   0.023)  ( -0.425,   0.086,   0.030)  ( 0.38,  0.04,  0.02)
177:     torsion ( -0.062,  -0.086,  -0.075)  ( -0.061,  -0.083,  -0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.865,   2.694,  22.265)  ( -6.864,   2.694,  22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 27       (201.756, 127.701, 175.179)  (201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (204.461, 105.488, 167.839)  (204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
177:     angle   ( -0.092,   0.023,   0.417)  ( -0.086,   0.030,   0.425)  ( 0.05,  0.02,  0.36)
177:     torsion (  0.081,  -0.075,   0.059)  (  0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.694,  22.265,   6.864)  ( -2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 28       (-252.054, -153.609,  -0.039)  (-252.014, -153.597,   0.000)  ( 0.02,  0.01,  0.15)
177:     bond    (-231.402, -164.452,  -0.027)  (-231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
177:     angle   ( -0.078,  -0.251,  -0.010)  ( -0.070,  -0.248,   0.000)  ( 0.06,  0.09,  0.01)
177:     torsion (  0.027,  -0.095,  -0.001)  (  0.028,  -0.091,   0.000)  ( 0.00,  0.03,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-20.602,  11.189,  -0.001)  (-20.601,  11.189,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 29       ( 79.113, -45.579, -280.461)  ( 79.148, -45.561, -280.423)  ( 0.04,  0.04,  0.01)
177:     bond    ( 65.096, -61.045, -269.822)  ( 65.121, -61.035, -269.793)  ( 0.04,  0.02,  0.01)
177:     angle   (  0.172,  -0.097,   0.372)  (  0.180,  -0.092,   0.379)  ( 0.15,  0.05,  0.27)
177:     torsion (  0.077,   0.128,   0.076)  (  0.078,   0.131,   0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.768,  15.435, -11.087)  ( 13.769,  15.435, -11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 30       (251.973, 153.584,  -0.039)  (252.014, 153.597,   0.000)  ( 0.02,  0.01,  0.15)
177:     bond    (231.339, 164.441,  -0.027)  (231.370, 164.446,   0.000)  ( 0.01,  0.00,  0.07)
177:     angle   (  0.062,   0.245,  -0.010)  (  0.070,   0.248,   0.000)  ( 0.05,  0.08,  0.01)
177:     torsion ( -0.029,   0.087,  -0.001)  ( -0.028,   0.091,   0.000)  ( 0.00,  0.03,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 20.601, -11.189,  -0.001)  ( 20.601, -11.189,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 31       (153.584,  -0.039, -252.054)  (153.597,  -0.000, -252.014)  ( 0.01,  0.15,  0.02)
177:     bond    (164.441,  -0.027, -231.402)  (164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
177:     angle   (  0.245,  -0.010,  -0.078)  (  0.248,   0.000,  -0.070)  ( 0.08,  0.01,  0.06)
177:     torsion (  0.087,  -0.001,   0.027)  (  0.091,  -0.000,   0.028)  ( 0.03,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.189,  -0.001, -20.602)  (-11.189,  -0.000, -20.601)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 32       (-45.579, 280.385,  79.113)  (-45.561, 280.423,  79.148)  ( 0.04,  0.01,  0.04)
177:     bond    (-61.045, 269.764,  65.096)  (-61.035, 269.793,  65.121)  ( 0.02,  0.01,  0.04)
177:     angle   ( -0.097,  -0.386,   0.172)  ( -0.092,  -0.379,   0.180)  ( 0.05,  0.28,  0.15)
177:     torsion (  0.128,  -0.078,   0.077)  (  0.131,  -0.077,   0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.435,  11.087,  13.768)  ( 15.435,  11.087,  13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 33       (-79.182, -45.579, 280.385)  (-79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
177:     bond    (-65.145, -61.045, 269.764)  (-65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
177:     angle   ( -0.189,  -0.097,  -0.386)  ( -0.180,  -0.092,  -0.379)  ( 0.16,  0.05,  0.28)
177:     torsion ( -0.079,   0.128,  -0.078)  ( -0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.769,  15.435,  11.087)  (-13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 34       (251.973, -153.609,  -0.039)  (252.014, -153.597,  -0.000)  ( 0.02,  0.01,  0.15)
177:     bond    (231.339, -164.452,  -0.027)  (231.370, -164.446,   0.000)  ( 0.01,  0.00,  0.07)
177:     angle   (  0.062,  -0.251,  -0.010)  (  0.070,  -0.248,   0.000)  ( 0.05,  0.09,  0.01)
177:     torsion ( -0.029,  -0.095,  -0.001)  ( -0.028,  -0.091,  -0.000)  ( 0.00,  0.03,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 20.601,  11.189,  -0.001)  ( 20.601,  11.189,  -0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 35       (-201.805, 127.701, -175.256)  (-201.780, 127.730, -175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (-204.493, 105.488, -167.895)  (-204.477, 105.508, -167.867)  ( 0.01,  0.02,  0.02)
177:     angle   (  0.081,   0.023,  -0.434)  (  0.086,   0.030,  -0.425)  ( 0.04,  0.02,  0.38)
177:     torsion ( -0.086,  -0.075,  -0.062)  ( -0.083,  -0.074,  -0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.694,  22.265,  -6.865)  (  2.694,  22.266,  -6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 36       (-201.805, 127.701, 175.179)  (-201.780, 127.730, 175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (-204.493, 105.488, 167.839)  (-204.477, 105.508, 167.867)  ( 0.01,  0.02,  0.02)
177:     angle   (  0.081,   0.023,   0.417)  (  0.086,   0.030,   0.425)  ( 0.04,  0.02,  0.36)
177:     torsion ( -0.086,  -0.075,   0.059)  ( -0.083,  -0.074,   0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.694,  22.265,   6.864)  (  2.694,  22.266,   6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 37       (-153.609,  -0.039, 251.973)  (-153.597,  -0.000, 252.014)  ( 0.01,  0.15,  0.02)
177:     bond    (-164.452,  -0.027, 231.339)  (-164.446,   0.000, 231.370)  ( 0.00,  0.07,  0.01)
177:     angle   ( -0.251,  -0.010,   0.062)  ( -0.248,   0.000,   0.070)  ( 0.09,  0.01,  0.05)
177:     torsion ( -0.095,  -0.001,  -0.029)  ( -0.091,  -0.000,  -0.028)  ( 0.03,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.189,  -0.001,  20.601)  ( 11.189,  -0.000,  20.601)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 38       (-201.805, -127.758, -175.256)  (-201.780, -127.730, -175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (-204.493, -105.528, -167.895)  (-204.477, -105.508, -167.867)  ( 0.01,  0.02,  0.02)
177:     angle   (  0.081,  -0.037,  -0.434)  (  0.086,  -0.030,  -0.425)  ( 0.04,  0.03,  0.38)
177:     torsion ( -0.086,   0.072,  -0.062)  ( -0.083,   0.074,  -0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.694, -22.266,  -6.865)  (  2.694, -22.266,  -6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 39       (-201.805, -127.758, 175.179)  (-201.780, -127.730, 175.217)  ( 0.01,  0.02,  0.02)
177:     bond    (-204.493, -105.528, 167.839)  (-204.477, -105.508, 167.867)  ( 0.01,  0.02,  0.02)
177:     angle   (  0.081,  -0.037,   0.417)  (  0.086,  -0.030,   0.425)  ( 0.04,  0.03,  0.36)
177:     torsion ( -0.086,   0.072,   0.059)  ( -0.083,   0.074,   0.061)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.694, -22.266,   6.864)  (  2.694, -22.266,   6.864)  ( 0.01,  0.00,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 40       ( 79.113, -45.579, 280.385)  ( 79.148, -45.561, 280.423)  ( 0.04,  0.04,  0.01)
177:     bond    ( 65.096, -61.045, 269.764)  ( 65.121, -61.035, 269.793)  ( 0.04,  0.02,  0.01)
177:     angle   (  0.172,  -0.097,  -0.386)  (  0.180,  -0.092,  -0.379)  ( 0.15,  0.05,  0.28)
177:     torsion (  0.077,   0.128,  -0.078)  (  0.078,   0.131,  -0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.768,  15.435,  11.087)  ( 13.769,  15.435,  11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 41       (-175.256, -201.805, -127.758)  (-175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (-167.895, -204.493, -105.528)  (-167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
177:     angle   ( -0.434,   0.081,  -0.037)  ( -0.425,   0.086,  -0.030)  ( 0.38,  0.04,  0.03)
177:     torsion ( -0.062,  -0.086,   0.072)  ( -0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.865,   2.694, -22.266)  ( -6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 42       (-280.461,  79.113,  45.542)  (-280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (-269.822,  65.096,  61.024)  (-269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
177:     angle   (  0.372,   0.172,   0.087)  (  0.379,   0.180,   0.092)  ( 0.27,  0.15,  0.05)
177:     torsion (  0.076,   0.077,  -0.134)  (  0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.087,  13.768, -15.435)  (-11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 43       (175.179, -201.805, -127.758)  (175.217, -201.780, -127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (167.839, -204.493, -105.528)  (167.867, -204.477, -105.508)  ( 0.02,  0.01,  0.02)
177:     angle   (  0.417,   0.081,  -0.037)  (  0.425,   0.086,  -0.030)  ( 0.36,  0.04,  0.03)
177:     torsion (  0.059,  -0.086,   0.072)  (  0.061,  -0.083,   0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.864,   2.694, -22.266)  (  6.864,   2.694, -22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 44       ( 45.542, 280.385, -79.182)  ( 45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
177:     bond    ( 61.024, 269.764, -65.145)  ( 61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
177:     angle   (  0.087,  -0.386,  -0.189)  (  0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
177:     torsion ( -0.134,  -0.078,  -0.079)  ( -0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.435,  11.087, -13.769)  (-15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 45       (-45.579, 280.385, -79.182)  (-45.561, 280.423, -79.148)  ( 0.04,  0.01,  0.04)
177:     bond    (-61.045, 269.764, -65.145)  (-61.035, 269.793, -65.121)  ( 0.02,  0.01,  0.04)
177:     angle   ( -0.097,  -0.386,  -0.189)  ( -0.092,  -0.379,  -0.180)  ( 0.05,  0.28,  0.16)
177:     torsion (  0.128,  -0.078,  -0.079)  (  0.131,  -0.077,  -0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.435,  11.087, -13.769)  ( 15.435,  11.087, -13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 46       ( 45.542, -280.461, -79.182)  ( 45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
177:     bond    ( 61.024, -269.822, -65.145)  ( 61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
177:     angle   (  0.087,   0.372,  -0.189)  (  0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
177:     torsion ( -0.134,   0.076,  -0.079)  ( -0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.435, -11.087, -13.769)  (-15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 47       (-127.758, -175.256, 201.756)  (-127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (-105.528, -167.895, 204.461)  (-105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.037,  -0.434,  -0.092)  ( -0.030,  -0.425,  -0.086)  ( 0.03,  0.38,  0.05)
177:     torsion (  0.072,  -0.062,   0.081)  (  0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.266,  -6.865,  -2.694)  (-22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 48       (-153.609,  -0.039, -252.054)  (-153.597,   0.000, -252.014)  ( 0.01,  0.15,  0.02)
177:     bond    (-164.452,  -0.027, -231.402)  (-164.446,   0.000, -231.370)  ( 0.00,  0.07,  0.01)
177:     angle   ( -0.251,  -0.010,  -0.078)  ( -0.248,   0.000,  -0.070)  ( 0.09,  0.01,  0.06)
177:     torsion ( -0.095,  -0.001,   0.027)  ( -0.091,   0.000,   0.028)  ( 0.03,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.189,  -0.001, -20.602)  ( 11.189,   0.000, -20.601)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 49       ( 79.113,  45.542, 280.385)  ( 79.148,  45.561, 280.423)  ( 0.04,  0.04,  0.01)
177:     bond    ( 65.096,  61.024, 269.764)  ( 65.121,  61.035, 269.793)  ( 0.04,  0.02,  0.01)
177:     angle   (  0.172,   0.087,  -0.386)  (  0.180,   0.092,  -0.379)  ( 0.15,  0.05,  0.28)
177:     torsion (  0.077,  -0.134,  -0.078)  (  0.078,  -0.131,  -0.077)  ( 0.01,  0.04,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.768, -15.435,  11.087)  ( 13.769, -15.435,  11.087)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 50       (-175.256, 201.756, -127.758)  (-175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (-167.895, 204.461, -105.528)  (-167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
177:     angle   ( -0.434,  -0.092,  -0.037)  ( -0.425,  -0.086,  -0.030)  ( 0.38,  0.05,  0.03)
177:     torsion ( -0.062,   0.081,   0.072)  ( -0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.865,  -2.694, -22.266)  ( -6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 51       (-45.579, -280.461, -79.182)  (-45.561, -280.423, -79.148)  ( 0.04,  0.01,  0.04)
177:     bond    (-61.045, -269.822, -65.145)  (-61.035, -269.793, -65.121)  ( 0.02,  0.01,  0.04)
177:     angle   ( -0.097,   0.372,  -0.189)  ( -0.092,   0.379,  -0.180)  ( 0.05,  0.27,  0.16)
177:     torsion (  0.128,   0.076,  -0.079)  (  0.131,   0.077,  -0.078)  ( 0.04,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.435, -11.087, -13.769)  ( 15.435, -11.087, -13.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 52       (127.701, -175.256, 201.756)  (127.730, -175.217, 201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (105.488, -167.895, 204.461)  (105.508, -167.867, 204.477)  ( 0.02,  0.02,  0.01)
177:     angle   (  0.023,  -0.434,  -0.092)  (  0.030,  -0.425,  -0.086)  ( 0.02,  0.38,  0.05)
177:     torsion ( -0.075,  -0.062,   0.081)  ( -0.074,  -0.061,   0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.265,  -6.865,  -2.694)  ( 22.266,  -6.864,  -2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 53       (280.385,  79.113,  45.542)  (280.423,  79.148,  45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (269.764,  65.096,  61.024)  (269.793,  65.121,  61.035)  ( 0.01,  0.04,  0.02)
177:     angle   ( -0.386,   0.172,   0.087)  ( -0.379,   0.180,   0.092)  ( 0.28,  0.15,  0.05)
177:     torsion ( -0.078,   0.077,  -0.134)  ( -0.077,   0.078,  -0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.087,  13.768, -15.435)  ( 11.087,  13.769, -15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 54       ( -0.039, 251.973, 153.584)  (  0.000, 252.014, 153.597)  ( 0.15,  0.02,  0.01)
177:     bond    ( -0.027, 231.339, 164.441)  (  0.000, 231.370, 164.446)  ( 0.07,  0.01,  0.00)
177:     angle   ( -0.010,   0.062,   0.245)  (  0.000,   0.070,   0.248)  ( 0.01,  0.05,  0.08)
177:     torsion ( -0.001,  -0.029,   0.087)  (  0.000,  -0.028,   0.091)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.001,  20.601, -11.189)  ( -0.000,  20.601, -11.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 55       (127.701, 175.179, 201.756)  (127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (105.488, 167.839, 204.461)  (105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
177:     angle   (  0.023,   0.417,  -0.092)  (  0.030,   0.425,  -0.086)  ( 0.02,  0.36,  0.05)
177:     torsion ( -0.075,   0.059,   0.081)  ( -0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.265,   6.864,  -2.694)  ( 22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 56       (-127.758, 175.179, 201.756)  (-127.730, 175.217, 201.780)  ( 0.02,  0.02,  0.01)
177:     bond    (-105.528, 167.839, 204.461)  (-105.508, 167.867, 204.477)  ( 0.02,  0.02,  0.01)
177:     angle   ( -0.037,   0.417,  -0.092)  ( -0.030,   0.425,  -0.086)  ( 0.03,  0.36,  0.05)
177:     torsion (  0.072,   0.059,   0.081)  (  0.074,   0.061,   0.083)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.266,   6.864,  -2.694)  (-22.266,   6.864,  -2.694)  ( 0.00,  0.01,  0.01)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 57       (175.179, 201.756, -127.758)  (175.217, 201.780, -127.730)  ( 0.02,  0.01,  0.02)
177:     bond    (167.839, 204.461, -105.528)  (167.867, 204.477, -105.508)  ( 0.02,  0.01,  0.02)
177:     angle   (  0.417,  -0.092,  -0.037)  (  0.425,  -0.086,  -0.030)  ( 0.36,  0.05,  0.03)
177:     torsion (  0.059,   0.081,   0.072)  (  0.061,   0.083,   0.074)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.864,  -2.694, -22.266)  (  6.864,  -2.694, -22.266)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 58       (-280.461, -79.182,  45.542)  (-280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (-269.822, -65.145,  61.024)  (-269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
177:     angle   (  0.372,  -0.189,   0.087)  (  0.379,  -0.180,   0.092)  ( 0.27,  0.16,  0.05)
177:     torsion (  0.076,  -0.079,  -0.134)  (  0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.087, -13.769, -15.435)  (-11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 59       (280.385, -79.182,  45.542)  (280.423, -79.148,  45.561)  ( 0.01,  0.04,  0.04)
177:     bond    (269.764, -65.145,  61.024)  (269.793, -65.121,  61.035)  ( 0.01,  0.04,  0.02)
177:     angle   ( -0.386,  -0.189,   0.087)  ( -0.379,  -0.180,   0.092)  ( 0.28,  0.16,  0.05)
177:     torsion ( -0.078,  -0.079,  -0.134)  ( -0.077,  -0.078,  -0.131)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.087, -13.769, -15.435)  ( 11.087, -13.769, -15.435)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: 60       ( -0.039, -252.054, 153.584)  ( -0.000, -252.014, 153.597)  ( 0.15,  0.02,  0.01)
177:     bond    ( -0.027, -231.402, 164.441)  (  0.000, -231.370, 164.446)  ( 0.07,  0.01,  0.00)
177:     angle   ( -0.010,  -0.078,   0.245)  (  0.000,  -0.070,   0.248)  ( 0.01,  0.06,  0.08)
177:     torsion ( -0.001,   0.027,   0.087)  ( -0.000,   0.028,   0.091)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.001, -20.602, -11.189)  (  0.000, -20.601, -11.189)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177: ok 18 # gradients 
177: ok 19 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (128.296, -35.573,  -1.888)  (128.330, -35.535,  -1.883)  ( 0.03,  0.11,  0.29)
177:     bond    (218.773, -102.594,   0.838)  (218.799, -102.565,   0.837)  ( 0.01,  0.03,  0.06)
177:     angle   (-68.683, 105.729,   0.647)  (-68.676, 105.737,   0.647)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.038,   0.040,  -3.549)  (  0.038,   0.040,  -3.543)  ( 0.00,  0.00,  0.17)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-20.813, -37.299,   0.127)  (-20.813, -37.298,   0.126)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.019,  -1.448,   0.050)  ( -1.019,  -1.448,   0.050)  ( 0.00,  0.00,  0.00)
177:  2       (281.068, -1188.291, -17.634)  (281.102, -1188.250, -17.626)  ( 0.01,  0.00,  0.04)
177:     bond    (199.175, -1090.331, -15.615)  (199.206, -1090.299, -15.611)  ( 0.02,  0.00,  0.02)
177:     angle   ( 69.460, -67.272,   0.308)  ( 69.464, -67.264,   0.307)  ( 0.00,  0.01,  0.01)
177:     torsion ( -0.023,   0.021,  -1.836)  ( -0.023,   0.021,  -1.832)  ( 0.00,  0.00,  0.22)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.333, -37.494,  -0.530)  ( 15.333, -37.493,  -0.530)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.877,   6.785,   0.040)  ( -2.877,   6.785,   0.040)  ( 0.00,  0.00,  0.00)
177:  3       (-95.225,  97.149,   0.483)  (-95.191,  97.186,   0.488)  ( 0.04,  0.04,  0.23)
177:     bond    ( 63.762, 122.448,  -0.384)  ( 63.785, 122.476,  -0.384)  ( 0.04,  0.02,  0.01)
177:     angle   (-186.520, -27.262,   1.747)  (-186.510, -27.252,   1.749)  ( 0.01,  0.03,  0.10)
177:     torsion (  0.007,  -0.009,  -0.836)  (  0.007,  -0.009,  -0.832)  ( 0.00,  0.00,  0.27)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 29.633,   0.508,  -0.018)  ( 29.634,   0.508,  -0.018)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.107,   1.463,  -0.026)  ( -2.107,   1.463,  -0.026)  ( 0.00,  0.00,  0.00)
177:  4       ( 94.737, 157.424,  -0.489)  ( 94.780, 157.473,  -0.485)  ( 0.05,  0.03,  0.19)
177:     bond    (-46.361, -63.712,   0.736)  (-46.328, -63.677,   0.736)  ( 0.07,  0.06,  0.01)
177:     angle   (123.050, 192.290,  -1.188)  (123.061, 192.303,  -1.188)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.003,  -0.009,   1.181)  ( -0.003,  -0.009,   1.185)  ( 0.00,  0.00,  0.33)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.661,  34.033,  -1.182)  ( 22.662,  34.034,  -1.182)  ( 0.00,  0.00,  0.01)
177:     electro ( -4.612,  -5.178,  -0.035)  ( -4.612,  -5.178,  -0.035)  ( 0.00,  0.00,  0.00)
177:  5       ( 50.085,  46.745,  -5.713)  ( 50.097,  46.767,  -5.713)  ( 0.02,  0.05,  0.01)
177:     bond    ( 19.816,  34.187,  -0.459)  ( 19.823,  34.207,  -0.459)  ( 0.03,  0.06,  0.01)
177:     angle   ( -3.956,   2.291,   0.156)  ( -3.952,   2.292,   0.156)  ( 0.08,  0.05,  0.00)
177:     torsion (  0.006,   0.008,   0.847)  (  0.006,   0.008,   0.847)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 36.360,  13.815,  -6.604)  ( 36.362,  13.816,  -6.604)  ( 0.01,  0.01,  0.00)
177:     electro ( -2.141,  -3.556,   0.346)  ( -2.141,  -3.556,   0.346)  ( 0.00,  0.00,  0.00)
177:  6       ( 41.005, -127.450,  -1.432)  ( 41.044, -127.413,  -1.426)  ( 0.10,  0.03,  0.42)
177:     bond    ( 11.187,  -3.409,  -0.560)  ( 11.216,  -3.383,  -0.559)  ( 0.26,  0.74,  0.02)
177:     angle   ( 48.460, -158.897,   1.836)  ( 48.470, -158.886,   1.838)  ( 0.02,  0.01,  0.12)
177:     torsion ( -0.002,  -0.007,  -2.722)  ( -0.002,  -0.007,  -2.718)  ( 0.00,  0.00,  0.13)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-21.313,  35.607,   0.035)  (-21.313,  35.608,   0.035)  ( 0.00,  0.00,  0.00)
177:     electro (  2.674,  -0.745,  -0.021)  (  2.674,  -0.745,  -0.021)  ( 0.00,  0.00,  0.00)
177:  7       (-172.336, 176.366,   1.808)  (-172.289, 176.402,   1.812)  ( 0.03,  0.02,  0.22)
177:     bond    (-39.092, 208.455,   0.645)  (-39.056, 208.480,   0.644)  ( 0.09,  0.01,  0.05)
177:     angle   (-117.591, -37.558,  -0.021)  (-117.580, -37.549,  -0.021)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.015,  -0.016,   1.697)  ( -0.015,  -0.016,   1.702)  ( 0.00,  0.00,  0.27)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-26.856,   1.037,  -0.590)  (-26.855,   1.037,  -0.590)  ( 0.00,  0.02,  0.00)
177:     electro ( 11.217,   4.449,   0.077)  ( 11.217,   4.449,   0.078)  ( 0.00,  0.00,  0.00)
177:  8       (-71.877,  25.255,  -1.766)  (-71.850,  25.261,  -1.766)  ( 0.04,  0.02,  0.04)
177:     bond    (-48.136,   0.639,  -0.319)  (-48.109,   0.639,  -0.319)  ( 0.06,  0.01,  0.01)
177:     angle   (  0.447,  33.751,   0.218)  (  0.447,  33.755,   0.219)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.002,   0.001,   0.249)  ( -0.002,   0.001,   0.250)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.882, -13.305,  -1.995)  (-18.882, -13.304,  -1.995)  ( 0.00,  0.01,  0.00)
177:     electro ( -5.304,   4.169,   0.081)  ( -5.304,   4.169,   0.081)  ( 0.00,  0.00,  0.00)
177:  9       (107.964,  16.302,   0.120)  (107.998,  16.335,   0.125)  ( 0.03,  0.21,  0.06)
177:     bond    (-114.432, -52.818,  -1.214)  (-114.405, -52.794,  -1.215)  ( 0.02,  0.05,  0.03)
177:     angle   (213.876,  81.450,   1.116)  (213.883,  81.460,   1.118)  ( 0.00,  0.01,  0.23)
177:     torsion ( -0.007,   0.012,   0.300)  ( -0.007,   0.012,   0.303)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.635,  -6.803,  -0.038)  (  4.635,  -6.803,  -0.038)  ( 0.00,  0.00,  0.00)
177:     electro (  3.892,  -5.540,  -0.044)  (  3.892,  -5.540,  -0.044)  ( 0.00,  0.00,  0.00)
177: 10       (-1232.123, 378.660,   7.823)  (-1232.101, 378.688,   7.832)  ( 0.00,  0.01,  0.11)
177:     bond    (-1219.073, 393.320,   6.949)  (-1219.052, 393.348,   6.957)  ( 0.00,  0.01,  0.11)
177:     angle   (  0.014,   0.007,  -0.000)  (  0.014,   0.007,  -0.000)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.013,  -0.025,   1.906)  (  0.013,  -0.025,   1.907)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-15.447, -14.655,  -1.091)  (-15.447, -14.655,  -1.091)  ( 0.00,  0.00,  0.00)
177:     electro (  2.370,   0.013,   0.059)  (  2.370,   0.013,   0.059)  ( 0.00,  0.00,  0.00)
177: 11       (868.110, 416.293,   5.883)  (868.142, 416.327,   5.888)  ( 0.00,  0.01,  0.09)
177:     bond    (931.068, 534.771,   7.333)  (931.096, 534.801,   7.337)  ( 0.00,  0.01,  0.05)
177:     angle   (-66.254, -120.686,  -1.778)  (-66.250, -120.682,  -1.778)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.003,  -0.008,   0.240)  ( -0.003,  -0.008,   0.242)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.363,   1.247,   0.074)  (  3.363,   1.247,   0.074)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.064,   0.969,   0.013)  ( -0.064,   0.969,   0.013)  ( 0.00,  0.00,  0.00)
177: 12       ( 38.119,  -4.461,   4.327)  ( 38.147,  -4.433,   4.353)  ( 0.07,  0.64,  0.60)
177:     bond    ( 43.122,  15.663,   2.939)  ( 43.141,  15.682,   2.958)  ( 0.04,  0.12,  0.64)
177:     angle   ( -3.080,  -2.207,   0.710)  ( -3.071,  -2.198,   0.717)  ( 0.27,  0.41,  0.47)
177:     torsion ( -0.010,  -0.019,   0.925)  ( -0.010,  -0.019,   0.926)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.869, -18.372,  -0.253)  ( -1.869, -18.372,  -0.253)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.044,   0.475,   0.006)  ( -0.044,   0.475,   0.006)  ( 0.00,  0.00,  0.00)
177: 13       ( -3.814, -21.443,  -0.726)  ( -3.787, -21.414,  -0.700)  ( 0.71,  0.13,  1.87)
177:     bond    (-37.132,  -0.822,  -0.015)  (-37.114,  -0.803,   0.004)  ( 0.05,  1.54,  0.03)
177:     angle   (  8.038,  -2.248,  -1.177)  (  8.046,  -2.239,  -1.170)  ( 0.10,  0.41,  0.57)
177:     torsion (  0.005,   0.002,   0.437)  (  0.005,   0.002,   0.438)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 25.611, -18.535,   0.028)  ( 25.611, -18.535,   0.028)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.336,   0.160,   0.000)  ( -0.336,   0.160,   0.000)  ( 0.00,  0.00,  0.00)
177: 14       ( -5.268,   4.089,  -1.753)  ( -5.240,   4.116,  -1.727)  ( 0.55,  0.68,  1.47)
177:     bond    ( 18.838, -35.431,  -0.855)  ( 18.857, -35.412,  -0.837)  ( 0.10,  0.05,  1.61)
177:     angle   ( -2.977,   9.335,  -1.958)  ( -2.968,   9.344,  -1.951)  ( 0.30,  0.09,  0.34)
177:     torsion ( -0.005,   0.011,   1.087)  ( -0.005,   0.011,   1.088)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-21.392,  30.685,  -0.028)  (-21.391,  30.686,  -0.028)  ( 0.01,  0.00,  0.00)
177:     electro (  0.268,  -0.512,   0.001)  (  0.268,  -0.512,   0.001)  ( 0.00,  0.00,  0.00)
177: 15       (-13.220,  31.091,   0.684)  (-13.218,  31.106,   0.684)  ( 0.01,  0.05,  0.03)
177:     bond    ( -0.154,  33.589,   0.740)  ( -0.154,  33.604,   0.740)  ( 0.00,  0.04,  0.01)
177:     angle   (-15.890,  -0.071,  -0.069)  (-15.888,  -0.071,  -0.069)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.000,  -0.001,   0.039)  ( -0.000,  -0.001,   0.039)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.026,  -0.316,   0.002)  (  1.026,  -0.316,   0.002)  ( 0.00,  0.00,  0.00)
177:     electro (  1.799,  -2.110,  -0.028)  (  1.799,  -2.110,  -0.028)  ( 0.00,  0.00,  0.00)
177: 16       ( -1.881,  -8.801,  -0.757)  ( -1.878,  -8.787,  -0.755)  ( 0.13,  0.16,  0.15)
177:     bond    ( -0.134,  -8.107,  -0.342)  ( -0.134,  -8.093,  -0.342)  ( 0.00,  0.17,  0.00)
177:     angle   (  2.859,  -0.034,  -0.321)  (  2.862,  -0.034,  -0.319)  ( 0.09,  0.00,  0.07)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.279,  -0.650,  -0.070)  ( -3.279,  -0.650,  -0.070)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.328,  -0.010,  -0.024)  ( -1.328,  -0.010,  -0.024)  ( 0.00,  0.00,  0.00)
177: 17       ( -4.370,   0.985,   5.557)  ( -4.365,   0.988,   5.567)  ( 0.11,  0.32,  0.19)
177:     bond    ( -2.662,   1.728,   4.686)  ( -2.659,   1.730,   4.695)  ( 0.12,  0.07,  0.21)
177:     angle   (  0.322,   0.016,   0.176)  (  0.323,   0.018,   0.177)  ( 0.06,  0.00,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.867,  -1.505,   0.633)  ( -0.867,  -1.504,   0.633)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.161,   0.746,   0.063)  ( -1.161,   0.746,   0.063)  ( 0.00,  0.00,  0.00)
177: 18       ( -5.504,   1.672,  -8.084)  ( -5.499,   1.676,  -8.074)  ( 0.09,  0.23,  0.12)
177:     bond    ( -3.864,   3.113,  -6.665)  ( -3.861,   3.115,  -6.656)  ( 0.08,  0.06,  0.14)
177:     angle   (  0.665,  -0.087,  -0.428)  (  0.667,  -0.086,  -0.427)  ( 0.13,  0.02,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.126,  -2.162,  -0.950)  ( -1.126,  -2.162,  -0.950)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.179,   0.809,  -0.041)  ( -1.179,   0.809,  -0.041)  ( 0.00,  0.00,  0.00)
177: 19       (  2.471,   2.206,  -8.584)  (  2.474,   2.208,  -8.571)  ( 0.15,  0.13,  0.14)
177:     bond    (  2.793,   2.223,  -8.000)  (  2.794,   2.224,  -7.988)  ( 0.05,  0.04,  0.15)
177:     angle   ( -1.138,   0.137,  -0.359)  ( -1.136,   0.139,  -0.359)  ( 0.19,  0.03,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.125,  -0.749,  -0.532)  (  1.125,  -0.748,  -0.532)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.309,   0.594,   0.307)  ( -0.309,   0.594,   0.307)  ( 0.00,  0.00,  0.00)
177: 20       ( 11.893,  -3.594,   3.602)  ( 11.897,  -3.582,   3.605)  ( 0.04,  0.34,  0.07)
177:     bond    (  3.073,  -7.944,   2.047)  (  3.075,  -7.932,   2.047)  ( 0.06,  0.15,  0.04)
177:     angle   ( -4.627,  -1.768,   0.098)  ( -4.625,  -1.767,   0.100)  ( 0.05,  0.02,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.975,   6.517,   1.574)  ( 13.975,   6.517,   1.574)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.528,  -0.400,  -0.116)  ( -0.528,  -0.400,  -0.116)  ( 0.00,  0.00,  0.00)
177: 21       (  8.288,   3.291,   8.967)  (  8.291,   3.298,   8.975)  ( 0.05,  0.23,  0.08)
177:     bond    (  3.137,   6.237,   6.237)  (  3.139,   6.244,   6.244)  ( 0.05,  0.10,  0.10)
177:     angle   ( -2.271,   0.849,   0.289)  ( -2.268,   0.850,   0.291)  ( 0.10,  0.10,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.099,  -4.775,   2.825)  (  8.099,  -4.775,   2.825)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.678,   0.980,  -0.385)  ( -0.678,   0.980,  -0.385)  ( 0.00,  0.00,  0.00)
177: 22       ( -7.209,   8.539,   9.096)  ( -7.199,   8.542,   9.103)  ( 0.13,  0.03,  0.07)
177:     bond    ( -7.592,  -0.446,   5.750)  ( -7.583,  -0.446,   5.755)  ( 0.12,  0.00,  0.09)
177:     angle   (  0.316,  -3.141,   0.173)  (  0.317,  -3.139,   0.174)  ( 0.02,  0.08,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.310,  13.218,   3.611)  (  0.310,  13.218,   3.611)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.243,  -1.091,  -0.438)  ( -0.243,  -1.091,  -0.438)  ( 0.00,  0.00,  0.00)
177: 23       (-17.717,  21.345,   8.253)  (-17.709,  21.354,   8.256)  ( 0.04,  0.04,  0.04)
177:     bond    (  6.018,   7.206,   3.106)  (  6.023,   7.213,   3.107)  ( 0.09,  0.10,  0.04)
177:     angle   (  4.963,  -4.166,   0.043)  (  4.965,  -4.165,   0.045)  ( 0.03,  0.03,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-30.269,  18.907,   5.408)  (-30.268,  18.907,   5.408)  ( 0.00,  0.00,  0.00)
177:     electro (  1.571,  -0.601,  -0.303)  (  1.571,  -0.601,  -0.303)  ( 0.00,  0.00,  0.00)
177: 24       ( -1.980,   1.683,  -7.974)  ( -1.977,   1.686,  -7.961)  ( 0.16,  0.17,  0.16)
177:     bond    ( -2.499,   1.642,  -7.703)  ( -2.498,   1.643,  -7.690)  ( 0.05,  0.03,  0.16)
177:     angle   (  0.405,  -0.575,  -0.255)  (  0.407,  -0.573,  -0.255)  ( 0.08,  0.13,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.024,   1.037,  -0.436)  ( -0.024,   1.037,  -0.436)  ( 0.00,  0.00,  0.00)
177:     electro (  0.138,  -0.421,   0.420)  (  0.138,  -0.421,   0.420)  ( 0.00,  0.00,  0.00)
177: ok 20 # gradients 
177: ok 21 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-22.308, -43.542, -24.843)  (-22.281, -43.516, -24.816)  ( 0.12,  0.06,  0.11)
177:     bond    (-14.531, -30.893,  -8.732)  (-14.514, -30.876,  -8.714)  ( 0.12,  0.06,  0.21)
177:     angle   (  2.512,  -2.285, -10.607)  (  2.522,  -2.276, -10.598)  ( 0.37,  0.38,  0.08)
177:     torsion ( -2.655,  -2.742,  -4.981)  ( -2.654,  -2.742,  -4.981)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.525,  -7.528,  -0.566)  ( -7.525,  -7.528,  -0.566)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.109,  -0.093,   0.043)  ( -0.109,  -0.093,   0.043)  ( 0.00,  0.00,  0.00)
177:  2       (-63.836,  37.192,   9.403)  (-63.808,  37.218,   9.429)  ( 0.04,  0.07,  0.28)
177:     bond    (-19.887,  31.641,  -3.832)  (-19.869,  31.659,  -3.814)  ( 0.09,  0.06,  0.46)
177:     angle   (-21.218,   1.942,  26.416)  (-21.210,   1.950,  26.425)  ( 0.04,  0.44,  0.03)
177:     torsion ( -4.470,   2.457,   2.254)  ( -4.470,   2.457,   2.255)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.943,   1.510, -15.520)  (-17.943,   1.511, -15.520)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.317,  -0.358,   0.084)  ( -0.317,  -0.358,   0.084)  ( 0.00,  0.00,  0.00)
177:  3       ( 24.879,  35.511, -41.054)  ( 24.906,  35.538, -41.027)  ( 0.11,  0.08,  0.07)
177:     bond    ( 43.021,  -1.284,  21.164)  ( 43.039,  -1.266,  21.182)  ( 0.04,  1.41,  0.09)
177:     angle   ( -8.872,  26.134, -47.437)  ( -8.864,  26.143, -47.429)  ( 0.10,  0.03,  0.02)
177:     torsion ( -0.191,   2.872,  -3.368)  ( -0.191,   2.872,  -3.368)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.262,   7.953, -11.544)  ( -9.262,   7.953, -11.543)  ( 0.00,  0.01,  0.00)
177:     electro (  0.184,  -0.164,   0.131)  (  0.184,  -0.164,   0.131)  ( 0.00,  0.00,  0.00)
177:  4       (  2.828, -39.628,  46.776)  (  2.857, -39.600,  46.801)  ( 1.00,  0.07,  0.06)
177:     bond    ( 33.477,  -2.989,  17.076)  ( 33.496,  -2.970,  17.094)  ( 0.06,  0.61,  0.11)
177:     angle   (-26.689, -10.403,  39.611)  (-26.679, -10.394,  39.618)  ( 0.03,  0.09,  0.02)
177:     torsion ( -0.440,  -5.890, -14.995)  ( -0.440,  -5.890, -14.994)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.482, -20.368,   5.117)  ( -3.482, -20.368,   5.117)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.038,   0.022,  -0.034)  ( -0.038,   0.022,  -0.034)  ( 0.00,  0.00,  0.00)
177:  5       ( 73.049,   5.536, -12.631)  ( 73.088,   5.567, -12.622)  ( 0.05,  0.57,  0.07)
177:     bond    ( 36.993,  27.428,  -1.146)  ( 37.023,  27.450,  -1.144)  ( 0.08,  0.08,  0.13)
177:     angle   ( 33.662,  -7.390, -34.834)  ( 33.670,  -7.382, -34.831)  ( 0.02,  0.12,  0.01)
177:     torsion (  1.264,   4.163,  20.949)  (  1.264,   4.163,  20.953)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.115, -19.347,   2.757)  (  1.116, -19.347,   2.757)  ( 0.05,  0.00,  0.00)
177:     electro (  0.015,   0.682,  -0.357)  (  0.015,   0.682,  -0.357)  ( 0.00,  0.00,  0.00)
177:  6       (-77.127,  -1.074,   3.759)  (-77.090,  -1.042,   3.766)  ( 0.05,  2.99,  0.21)
177:     bond    (-78.710,  18.207,  -6.480)  (-78.680,  18.229,  -6.479)  ( 0.04,  0.12,  0.02)
177:     angle   ( -4.204,   3.671,   5.342)  ( -4.197,   3.680,   5.343)  ( 0.17,  0.25,  0.03)
177:     torsion ( -0.397,  -2.218,  -2.463)  ( -0.397,  -2.218,  -2.458)  ( 0.00,  0.01,  0.20)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.356, -21.178,   7.702)  (  6.356, -21.178,   7.702)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.173,   0.445,  -0.341)  ( -0.173,   0.445,  -0.341)  ( 0.00,  0.00,  0.00)
177:  7       ( 49.490, -26.176,  -7.776)  ( 49.518, -26.148,  -7.751)  ( 0.06,  0.11,  0.33)
177:     bond    ( 18.673,  16.713,   0.892)  ( 18.691,  16.732,   0.910)  ( 0.10,  0.11,  1.63)
177:     angle   ( 26.683, -27.526,  -4.329)  ( 26.692, -27.516,  -4.322)  ( 0.03,  0.03,  0.15)
177:     torsion (  0.886,  -2.319, -10.236)  (  0.886,  -2.319, -10.235)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.288, -13.122,   6.005)  (  3.289, -13.121,   6.005)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.039,   0.078,  -0.109)  ( -0.039,   0.078,  -0.109)  ( 0.00,  0.00,  0.00)
177:  8       (-35.192,  12.822,  53.744)  (-35.165,  12.849,  53.771)  ( 0.08,  0.22,  0.05)
177:     bond    (-20.989,   9.111, -28.842)  (-20.972,   9.128, -28.824)  ( 0.08,  0.19,  0.06)
177:     angle   (-25.736,  17.614,  80.518)  (-25.726,  17.623,  80.527)  ( 0.04,  0.05,  0.01)
177:     torsion ( -2.011,  -0.575,   3.948)  ( -2.011,  -0.575,   3.948)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.550, -13.548,  -1.907)  ( 13.551, -13.547,  -1.907)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.006,   0.221,   0.027)  ( -0.006,   0.221,   0.027)  ( 0.00,  0.00,  0.00)
177:  9       (  9.873,  27.136, -47.477)  (  9.901,  27.163, -47.450)  ( 0.29,  0.10,  0.06)
177:     bond    (-30.658,  30.523, -29.944)  (-30.639,  30.540, -29.927)  ( 0.06,  0.06,  0.06)
177:     angle   ( 25.853,   9.550, -23.593)  ( 25.863,   9.560, -23.584)  ( 0.04,  0.10,  0.04)
177:     torsion ( -0.469,  -3.044,  -4.166)  ( -0.469,  -3.044,  -4.166)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 15.131, -10.099,  10.271)  ( 15.132, -10.099,  10.271)  ( 0.00,  0.00,  0.00)
177:     electro (  0.016,   0.206,  -0.044)  (  0.016,   0.206,  -0.044)  ( 0.00,  0.00,  0.00)
177: 10       ( 28.019, -40.005,  31.486)  ( 28.044, -39.978,  31.512)  ( 0.09,  0.07,  0.09)
177:     bond    ( 34.324,  10.400,  10.514)  ( 34.340,  10.419,  10.532)  ( 0.05,  0.18,  0.18)
177:     angle   (-23.006, -37.357,  30.359)  (-22.997, -37.349,  30.367)  ( 0.04,  0.02,  0.03)
177:     torsion (  0.490,  -3.580,  -3.486)  (  0.490,  -3.580,  -3.486)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 16.479,  -9.577,  -5.866)  ( 16.479,  -9.577,  -5.866)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.268,   0.108,  -0.035)  ( -0.268,   0.108,  -0.035)  ( 0.00,  0.00,  0.00)
177: 11       ( 42.944,  -3.551,   3.573)  ( 42.971,  -3.526,   3.600)  ( 0.06,  0.72,  0.75)
177:     bond    (-22.879,  -5.120, -14.558)  (-22.860,  -5.103, -14.539)  ( 0.08,  0.33,  0.13)
177:     angle   ( 61.432,  15.137,  19.736)  ( 61.441,  15.145,  19.744)  ( 0.01,  0.06,  0.04)
177:     torsion ( -0.381,   1.027,   1.544)  ( -0.381,   1.027,   1.544)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.982, -14.918,  -3.077)  (  4.982, -14.917,  -3.077)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.210,   0.322,  -0.072)  ( -0.210,   0.322,  -0.072)  ( 0.00,  0.00,  0.00)
177: 12       (-30.929,  -4.215, -23.764)  (-30.903,  -4.185, -23.738)  ( 0.09,  0.70,  0.11)
177:     bond    (-66.490,  82.822,  23.511)  (-66.473,  82.841,  23.529)  ( 0.03,  0.02,  0.08)
177:     angle   ( 28.483, -89.468, -54.042)  ( 28.492, -89.458, -54.035)  ( 0.03,  0.01,  0.01)
177:     torsion (  1.674,   3.980,   1.439)  (  1.674,   3.980,   1.439)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.582,  -1.625,   5.322)  (  5.582,  -1.625,   5.322)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.178,   0.077,   0.006)  ( -0.178,   0.077,   0.006)  ( 0.00,  0.00,  0.00)
177: 13       (-14.876,  12.813,  29.139)  (-14.849,  12.841,  29.164)  ( 0.19,  0.21,  0.09)
177:     bond    ( 64.127, -112.790,  27.092)  ( 64.145, -112.772,  27.110)  ( 0.03,  0.02,  0.07)
177:     angle   (-82.099, 120.864,   8.835)  (-82.090, 120.873,   8.842)  ( 0.01,  0.01,  0.08)
177:     torsion ( -0.625,   3.574,  -2.102)  ( -0.625,   3.574,  -2.101)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.773,   1.285,  -4.822)  (  3.773,   1.285,  -4.822)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.051,  -0.120,   0.136)  ( -0.051,  -0.120,   0.136)  ( 0.00,  0.00,  0.00)
177: 14       (  2.250, -33.695,   6.772)  (  2.278, -33.668,   6.798)  ( 1.21,  0.08,  0.39)
177:     bond    (-77.710,  60.285, -35.054)  (-77.692,  60.303, -35.036)  ( 0.02,  0.03,  0.05)
177:     angle   ( 75.670, -103.322,  38.094)  ( 75.679, -103.314,  38.101)  ( 0.01,  0.01,  0.02)
177:     torsion (  1.249,  -0.162,   1.416)  (  1.249,  -0.161,   1.417)  ( 0.01,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.027,   9.584,   2.523)  (  3.027,   9.584,   2.523)  ( 0.00,  0.00,  0.01)
177:     electro (  0.015,  -0.080,  -0.207)  (  0.015,  -0.080,  -0.207)  ( 0.00,  0.00,  0.00)
177: 15       (-39.902,  19.803,  -0.379)  (-39.875,  19.830,  -0.353)  ( 0.07,  0.14,  0.99)
177:     bond    (  3.025, -78.820,  25.958)  (  3.043, -78.802,  25.977)  ( 0.59,  0.02,  0.07)
177:     angle   (-49.068, 110.969, -36.714)  (-49.060, 110.978, -36.707)  ( 0.02,  0.01,  0.02)
177:     torsion ( -1.503,   1.058,  -0.774)  ( -1.503,   1.059,  -0.774)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.677, -13.640,  11.362)  (  7.677, -13.639,  11.362)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.032,   0.235,  -0.211)  ( -0.032,   0.235,  -0.211)  ( 0.00,  0.00,  0.00)
177: 16       ( 31.729, -35.552,  15.159)  ( 31.757, -35.525,  15.186)  ( 0.09,  0.07,  0.17)
177:     bond    ( -1.351,  47.387, -25.784)  ( -1.333,  47.405, -25.766)  ( 1.36,  0.04,  0.07)
177:     angle   ( 33.555, -81.751,  34.045)  ( 33.564, -81.742,  34.052)  ( 0.03,  0.01,  0.02)
177:     torsion (  1.197,  -0.589,   7.374)  (  1.197,  -0.589,   7.374)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.709,  -0.821,  -0.520)  ( -1.709,  -0.821,  -0.520)  ( 0.01,  0.01,  0.00)
177:     electro (  0.038,   0.221,   0.046)  (  0.038,   0.221,   0.046)  ( 0.00,  0.00,  0.00)
177: 17       (  6.118, -32.326, -49.852)  (  6.145, -32.298, -49.826)  ( 0.43,  0.09,  0.05)
177:     bond    (-11.675, -75.819,   2.896)  (-11.658, -75.800,   2.913)  ( 0.14,  0.02,  0.61)
177:     angle   ( 12.832,  40.812, -50.366)  ( 12.841,  40.821, -50.358)  ( 0.07,  0.02,  0.02)
177:     torsion (  1.947,   1.741,  -2.677)  (  1.947,   1.741,  -2.677)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.215,   1.061,   0.274)  (  3.216,   1.061,   0.274)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.201,  -0.121,   0.021)  ( -0.201,  -0.121,   0.021)  ( 0.00,  0.00,  0.00)
177: 18       (-33.161,  52.536,  15.536)  (-33.134,  52.563,  15.562)  ( 0.08,  0.05,  0.17)
177:     bond    (  0.939,  25.907,   0.494)  (  0.957,  25.925,   0.513)  ( 1.75,  0.07,  0.92)
177:     angle   (-36.770,  12.993,  13.369)  (-36.762,  13.000,  13.376)  ( 0.02,  0.06,  0.06)
177:     torsion (  2.724,   0.710,   3.961)  (  2.724,   0.711,   3.961)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.234,  13.366,  -2.363)  ( -0.233,  13.367,  -2.363)  ( 0.01,  0.00,  0.00)
177:     electro (  0.180,  -0.440,   0.075)  (  0.180,  -0.440,   0.075)  ( 0.00,  0.00,  0.00)
177: 19       ( 37.987,   7.123,  15.649)  ( 38.014,   7.150,  15.676)  ( 0.07,  0.38,  0.17)
177:     bond    ( -0.323,   9.038,   1.714)  ( -0.305,   9.056,   1.733)  ( 0.60,  0.21,  1.08)
177:     angle   ( 26.612,  -1.957,  20.358)  ( 26.620,  -1.949,  20.366)  ( 0.03,  0.41,  0.04)
177:     torsion (  1.649,  -0.902,  -3.804)  (  1.649,  -0.902,  -3.804)  ( 0.00,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.597,   0.994,  -2.622)  ( 10.597,   0.994,  -2.622)  ( 0.00,  0.02,  0.00)
177:     electro ( -0.547,  -0.050,   0.004)  ( -0.547,  -0.050,   0.004)  ( 0.00,  0.00,  0.00)
177: 20       (-10.381,  15.215, -40.486)  (-10.354,  15.243, -40.459)  ( 0.26,  0.18,  0.07)
177:     bond    ( 10.285,  -8.664,   4.027)  ( 10.303,  -8.645,   4.045)  ( 0.18,  0.21,  0.45)
177:     angle   (  0.393,  19.206, -30.998)  (  0.400,  19.214, -30.989)  ( 0.30,  0.04,  0.03)
177:     torsion ( -3.530,  -0.913,   0.087)  ( -3.530,  -0.913,   0.087)  ( 0.00,  0.02,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.801,   5.682, -13.790)  (-17.800,   5.683, -13.790)  ( 0.00,  0.01,  0.00)
177:     electro (  0.272,  -0.096,   0.188)  (  0.272,  -0.096,   0.188)  ( 0.00,  0.00,  0.00)
177: 21       ( 50.906, -23.098, -16.714)  ( 50.934, -23.072, -16.686)  ( 0.06,  0.11,  0.17)
177:     bond    (114.995,  -1.709, -14.139)  (115.014,  -1.693, -14.122)  ( 0.02,  0.96,  0.12)
177:     angle   (-67.309, -23.081,  -4.995)  (-67.299, -23.072,  -4.984)  ( 0.01,  0.04,  0.20)
177:     torsion ( -2.620,  -2.152,   2.914)  ( -2.620,  -2.152,   2.915)  ( 0.01,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.715,   3.885,  -0.499)  (  5.715,   3.886,  -0.499)  ( 0.00,  0.00,  0.00)
177:     electro (  0.125,  -0.041,   0.005)  (  0.125,  -0.041,   0.005)  ( 0.00,  0.00,  0.00)
177: 22       (-16.148,  23.784,  55.343)  (-16.122,  23.811,  55.371)  ( 0.17,  0.11,  0.05)
177:     bond    (  5.914, -13.650, -25.328)  (  5.932, -13.632, -25.309)  ( 0.31,  0.13,  0.07)
177:     angle   (-16.459,  16.679,  60.398)  (-16.451,  16.687,  60.406)  ( 0.05,  0.05,  0.01)
177:     torsion (  0.827,  -1.949,   1.055)  (  0.827,  -1.949,   1.055)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.533,  22.878,  19.525)  ( -6.533,  22.879,  19.525)  ( 0.01,  0.00,  0.00)
177:     electro (  0.103,  -0.174,  -0.307)  (  0.103,  -0.174,  -0.307)  ( 0.00,  0.00,  0.00)
177: 23       (  1.239,  24.267, -60.315)  (  1.266,  24.294, -60.288)  ( 2.16,  0.11,  0.04)
177:     bond    (-32.251, -19.993,   7.102)  (-32.234, -19.975,   7.120)  ( 0.06,  0.09,  0.26)
177:     angle   ( 42.431,  23.788, -56.689)  ( 42.440,  23.797, -56.680)  ( 0.02,  0.04,  0.01)
177:     torsion ( -0.297,   6.929,  -1.857)  ( -0.297,   6.929,  -1.856)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.931,  13.671,  -9.129)  ( -8.931,  13.672,  -9.129)  ( 0.00,  0.00,  0.00)
177:     electro (  0.288,  -0.129,   0.257)  (  0.288,  -0.129,   0.257)  ( 0.00,  0.00,  0.00)
177: 24       (-42.391,  41.088,   4.587)  (-42.363,  41.115,   4.614)  ( 0.07,  0.07,  0.57)
177:     bond    ( 38.562, -24.577, -11.848)  ( 38.580, -24.559, -11.830)  ( 0.05,  0.08,  0.15)
177:     angle   (-65.211,  51.416,  37.818)  (-65.202,  51.425,  37.826)  ( 0.01,  0.02,  0.02)
177:     torsion ( -4.487,   2.988,   1.987)  ( -4.486,   2.988,   1.988)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.129,  11.373, -23.582)  (-11.129,  11.373, -23.581)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.126,  -0.112,   0.211)  ( -0.126,  -0.112,   0.211)  ( 0.00,  0.00,  0.00)
177: 25       (-28.101, -61.144, -25.772)  (-28.073, -61.115, -25.745)  ( 0.10,  0.05,  0.10)
177:     bond    (-98.484, -40.750,  51.097)  (-98.467, -40.731,  51.115)  ( 0.02,  0.05,  0.04)
177:     angle   ( 73.204, -34.175, -58.194)  ( 73.213, -34.166, -58.186)  ( 0.01,  0.03,  0.01)
177:     torsion (  2.203,  -2.710, -10.758)  (  2.203,  -2.710, -10.758)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.869,  16.592,  -7.909)  ( -4.869,  16.592,  -7.909)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.154,  -0.101,  -0.008)  ( -0.154,  -0.101,  -0.008)  ( 0.00,  0.00,  0.00)
177: 26       ( 35.161, -13.615,  -7.818)  ( 35.190, -13.587,  -7.791)  ( 0.08,  0.21,  0.34)
177:     bond    (103.369,   5.170, -50.791)  (103.386,   5.189, -50.773)  ( 0.02,  0.35,  0.04)
177:     angle   (-63.196, -26.589,  42.786)  (-63.185, -26.580,  42.794)  ( 0.02,  0.03,  0.02)
177:     torsion ( -1.603,  -0.711,   1.139)  ( -1.603,  -0.710,   1.140)  ( 0.01,  0.03,  0.08)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.485,   8.521,  -0.920)  ( -3.485,   8.521,  -0.920)  ( 0.01,  0.00,  0.00)
177:     electro (  0.076,  -0.007,  -0.032)  (  0.076,  -0.007,  -0.032)  ( 0.00,  0.00,  0.00)
177: 27       (-14.837,  26.774,  43.062)  (-14.810,  26.801,  43.089)  ( 0.18,  0.10,  0.06)
177:     bond    (  4.117, -17.524, -19.432)  (  4.135, -17.505, -19.413)  ( 0.44,  0.11,  0.10)
177:     angle   (-13.628,  41.763,  43.917)  (-13.620,  41.771,  43.925)  ( 0.06,  0.02,  0.02)
177:     torsion ( -0.358,  -1.930,   0.806)  ( -0.357,  -1.930,   0.806)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.096,   4.534,  18.317)  ( -5.096,   4.534,  18.318)  ( 0.01,  0.01,  0.00)
177:     electro (  0.128,  -0.069,  -0.547)  (  0.128,  -0.069,  -0.547)  ( 0.00,  0.00,  0.00)
177: 28       (  8.497,  -0.257,  -5.188)  (  8.512,  -0.251,  -5.172)  ( 0.18,  0.15,  0.31)
177:     bond    ( 14.780,   7.587,   0.109)  ( 14.794,   7.591,   0.120)  ( 0.09,  0.05,  0.12)
177:     angle   ( -1.698,   5.503,  -0.586)  ( -1.696,   5.505,  -0.581)  ( 0.07,  0.03,  0.28)
177:     torsion (  3.366,  -7.648,  -0.412)  (  3.366,  -7.648,  -0.412)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.291,  -7.560,  -4.551)  ( -9.291,  -7.560,  -4.551)  ( 0.00,  0.00,  0.00)
177:     electro (  1.340,   1.861,   0.252)  (  1.340,   1.861,   0.252)  ( 0.00,  0.00,  0.00)
177: 29       (  1.135,   9.164,  22.858)  (  1.139,   9.169,  22.870)  ( 0.29,  0.05,  0.05)
177:     bond    ( -5.112,  12.768,  26.865)  ( -5.112,  12.770,  26.876)  ( 0.01,  0.02,  0.04)
177:     angle   ( -1.676,  -6.965,   2.989)  ( -1.674,  -6.963,   2.990)  ( 0.14,  0.03,  0.02)
177:     torsion (  5.386,   0.895,   0.599)  (  5.386,   0.895,   0.599)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.489,   2.748,  -7.812)  (  2.489,   2.748,  -7.812)  ( 0.01,  0.01,  0.00)
177:     electro (  0.049,  -0.281,   0.216)  (  0.049,  -0.281,   0.216)  ( 0.00,  0.00,  0.00)
177: 30       (  6.513,  -5.402, -14.742)  (  6.517,  -5.398, -14.729)  ( 0.06,  0.07,  0.09)
177:     bond    (  2.161,  -3.150, -10.451)  (  2.161,  -3.149, -10.438)  ( 0.03,  0.04,  0.12)
177:     angle   ( -5.037,   5.760,  -2.781)  ( -5.035,   5.763,  -2.781)  ( 0.05,  0.04,  0.01)
177:     torsion ( -3.391,   1.961,  -1.294)  ( -3.391,   1.961,  -1.294)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.958, -10.001,  -0.088)  ( 12.958, -10.000,  -0.088)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.177,   0.028,  -0.128)  ( -0.177,   0.028,  -0.128)  ( 0.00,  0.00,  0.00)
177: 31       ( -1.275,   8.846,  19.336)  ( -1.272,   8.850,  19.349)  ( 0.27,  0.05,  0.07)
177:     bond    ( -5.210,   9.256,  28.211)  ( -5.210,   9.257,  28.223)  ( 0.01,  0.02,  0.04)
177:     angle   ( -2.481,   7.776,  -3.009)  ( -2.479,   7.778,  -3.009)  ( 0.10,  0.03,  0.01)
177:     torsion (  3.362,   4.451,  -0.839)  (  3.362,   4.451,  -0.839)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.174, -12.636,  -4.980)  (  3.174, -12.636,  -4.979)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.120,  -0.000,  -0.047)  ( -0.120,  -0.000,  -0.047)  ( 0.00,  0.00,  0.00)
177: 32       ( 14.674,  13.014,   6.241)  ( 14.677,  13.019,   6.252)  ( 0.02,  0.04,  0.19)
177:     bond    ( -2.053,   4.526,   9.293)  ( -2.053,   4.528,   9.304)  ( 0.03,  0.06,  0.12)
177:     angle   (  8.651,   6.694,  -1.351)  (  8.653,   6.696,  -1.350)  ( 0.03,  0.03,  0.04)
177:     torsion (  6.608,   2.848,   0.072)  (  6.609,   2.848,   0.072)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.573,  -1.248,  -1.048)  ( -0.573,  -1.248,  -1.048)  ( 0.00,  0.00,  0.00)
177:     electro (  2.041,   0.195,  -0.725)  (  2.041,   0.195,  -0.725)  ( 0.00,  0.00,  0.00)
177: 33       ( 18.911,  -3.943,   2.356)  ( 18.918,  -3.940,   2.365)  ( 0.04,  0.07,  0.38)
177:     bond    ( 10.734,  -2.576,  12.310)  ( 10.740,  -2.575,  12.317)  ( 0.06,  0.02,  0.06)
177:     angle   ( 11.242,  -4.178, -10.677)  ( 11.243,  -4.176, -10.676)  ( 0.01,  0.06,  0.01)
177:     torsion ( -1.546,   0.545,   1.461)  ( -1.546,   0.545,   1.461)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.573,   2.028,  -1.039)  ( -1.573,   2.028,  -1.039)  ( 0.00,  0.00,  0.00)
177:     electro (  0.054,   0.239,   0.301)  (  0.054,   0.239,   0.301)  ( 0.00,  0.00,  0.00)
177: 34       ( 17.221,  -5.670,  -5.070)  ( 17.226,  -5.666,  -5.060)  ( 0.03,  0.08,  0.20)
177:     bond    (  6.265,  -5.629, -11.470)  (  6.267,  -5.627, -11.461)  ( 0.04,  0.04,  0.08)
177:     angle   ( 19.085,  -3.007,  11.912)  ( 19.087,  -3.005,  11.913)  ( 0.01,  0.07,  0.01)
177:     torsion (  3.429,  -0.923,   2.328)  (  3.429,  -0.923,   2.328)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.595,   4.208,  -8.007)  (-11.595,   4.208,  -8.007)  ( 0.00,  0.00,  0.00)
177:     electro (  0.037,  -0.319,   0.167)  (  0.037,  -0.319,   0.167)  ( 0.00,  0.00,  0.00)
177: 35       ( -0.153,   2.884,  15.147)  ( -0.149,   2.888,  15.159)  ( 0.06,  0.12,  0.08)
177:     bond    ( -5.651,   5.533,  15.742)  ( -5.650,   5.534,  15.753)  ( 0.03,  0.03,  0.07)
177:     angle   (  8.976,  -0.225,   3.298)  (  8.979,  -0.223,   3.298)  ( 0.03,  0.04,  0.01)
177:     torsion (  0.041,  -3.843,   1.365)  (  0.041,  -3.843,   1.365)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.628,   1.379,  -5.426)  ( -3.628,   1.379,  -5.426)  ( 0.01,  0.00,  0.00)
177:     electro (  0.109,   0.040,   0.169)  (  0.109,   0.040,   0.169)  ( 0.00,  0.00,  0.00)
177: 36       (  5.573, -10.443,   1.601)  (  5.576, -10.429,   1.603)  ( 0.06,  0.13,  0.16)
177:     bond    (  2.447, -12.323,   1.178)  (  2.448, -12.309,   1.178)  ( 0.02,  0.11,  0.02)
177:     angle   (  9.835,   2.579,   6.502)  (  9.837,   2.579,   6.504)  ( 0.02,  0.01,  0.03)
177:     torsion (  1.139,   0.057,  -1.770)  (  1.139,   0.057,  -1.770)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.878,  -0.677,  -4.353)  ( -7.878,  -0.677,  -4.353)  ( 0.00,  0.00,  0.00)
177:     electro (  0.030,  -0.079,   0.042)  (  0.030,  -0.079,   0.042)  ( 0.00,  0.00,  0.00)
177: 37       (  2.702,  11.065, -14.075)  (  2.706,  11.068, -14.063)  ( 0.15,  0.02,  0.09)
177:     bond    (  5.434,  -1.965, -15.059)  (  5.436,  -1.965, -15.047)  ( 0.03,  0.01,  0.08)
177:     angle   ( -6.922,   9.749,  -3.773)  ( -6.920,   9.751,  -3.773)  ( 0.03,  0.02,  0.01)
177:     torsion ( -1.385,   6.532,  -1.353)  ( -1.385,   6.532,  -1.353)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.021,  -3.169,   6.271)  (  6.021,  -3.169,   6.271)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.447,  -0.082,  -0.161)  ( -0.447,  -0.082,  -0.161)  ( 0.00,  0.00,  0.00)
177: 38       (  6.424,  19.193,   1.053)  (  6.427,  19.207,   1.056)  ( 0.05,  0.07,  0.22)
177:     bond    ( -3.922,  19.838,   1.549)  ( -3.921,  19.851,   1.549)  ( 0.02,  0.07,  0.01)
177:     angle   ( 18.258,   4.139,  -6.820)  ( 18.260,   4.139,  -6.818)  ( 0.01,  0.00,  0.03)
177:     torsion ( -1.009,  -0.621,   5.406)  ( -1.009,  -0.621,   5.406)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.486,  -4.338,   0.616)  ( -6.486,  -4.338,   0.616)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.416,   0.175,   0.302)  ( -0.416,   0.175,   0.302)  ( 0.00,  0.00,  0.00)
177: 39       (  2.389,  11.625,   2.946)  (  2.393,  11.639,   2.948)  ( 0.16,  0.12,  0.06)
177:     bond    ( -0.674,  12.590,  -2.228)  ( -0.674,  12.604,  -2.228)  ( 0.01,  0.11,  0.02)
177:     angle   ( -3.946,  -0.319,  -0.610)  ( -3.943,  -0.319,  -0.610)  ( 0.08,  0.00,  0.00)
177:     torsion ( -0.192,   0.884,   5.056)  ( -0.192,   0.884,   5.057)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.973,  -1.258,   0.526)  (  6.973,  -1.258,   0.526)  ( 0.00,  0.00,  0.00)
177:     electro (  0.229,  -0.271,   0.203)  (  0.229,  -0.271,   0.203)  ( 0.00,  0.00,  0.00)
177: 40       (  0.317,   6.239, -12.048)  (  0.323,   6.243, -12.038)  ( 0.18,  0.06,  0.08)
177:     bond    ( -6.745,   3.732, -10.241)  ( -6.741,   3.733, -10.232)  ( 0.06,  0.03,  0.09)
177:     angle   (  4.852,   4.160,  -1.680)  (  4.853,   4.163,  -1.679)  ( 0.03,  0.06,  0.04)
177:     torsion (  2.807,   2.075,  -1.093)  (  2.807,   2.075,  -1.093)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.707,  -3.828,   0.904)  ( -0.707,  -3.828,   0.904)  ( 0.00,  0.00,  0.00)
177:     electro (  0.110,   0.099,   0.061)  (  0.110,   0.099,   0.061)  ( 0.00,  0.00,  0.00)
177: 41       ( -2.273,  10.453,   6.209)  ( -2.268,  10.457,   6.219)  ( 0.24,  0.04,  0.16)
177:     bond    ( -5.788,   3.588,   9.319)  ( -5.784,   3.590,   9.329)  ( 0.06,  0.04,  0.10)
177:     angle   (  8.488,  16.065,  -0.919)  (  8.490,  16.067,  -0.919)  ( 0.02,  0.01,  0.07)
177:     torsion ( -3.730,  -1.289,  -1.817)  ( -3.730,  -1.289,  -1.817)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.346,  -7.951,  -0.446)  ( -1.346,  -7.950,  -0.446)  ( 0.00,  0.00,  0.00)
177:     electro (  0.103,   0.039,   0.071)  (  0.103,   0.039,   0.071)  ( 0.00,  0.00,  0.00)
177: 42       ( -3.377,   4.884,  -9.057)  ( -3.374,   4.887,  -9.044)  ( 0.09,  0.05,  0.15)
177:     bond    (  1.963,   0.521, -10.197)  (  1.964,   0.521, -10.183)  ( 0.03,  0.00,  0.13)
177:     angle   ( -9.996,   8.198,  -1.508)  ( -9.994,   8.200,  -1.507)  ( 0.02,  0.03,  0.01)
177:     torsion ( -0.144,   6.172,   0.288)  ( -0.145,   6.172,   0.288)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.858,  -9.999,   2.352)  (  4.858,  -9.999,   2.352)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.058,  -0.008,   0.007)  ( -0.058,  -0.008,   0.007)  ( 0.00,  0.00,  0.00)
177: 43       ( -3.105,   8.144,  -3.972)  ( -3.101,   8.156,  -3.969)  ( 0.14,  0.14,  0.08)
177:     bond    ( -3.568,   8.130,   2.505)  ( -3.565,   8.141,   2.507)  ( 0.06,  0.14,  0.04)
177:     angle   (  1.193,   4.827, -13.981)  (  1.195,   4.828, -13.979)  ( 0.17,  0.01,  0.02)
177:     torsion ( -2.182,  -2.621,   5.410)  ( -2.182,  -2.621,   5.410)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.453,  -2.137,   2.022)  (  1.453,  -2.137,   2.022)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.001,  -0.054,   0.073)  ( -0.001,  -0.054,   0.073)  ( 0.00,  0.00,  0.00)
177: 44       (-10.784,   4.905,  -2.290)  (-10.780,   4.909,  -2.279)  ( 0.03,  0.09,  0.48)
177:     bond    ( -1.245,  -1.494,  -3.293)  ( -1.244,  -1.492,  -3.283)  ( 0.12,  0.15,  0.32)
177:     angle   ( -7.495,  16.263,  -4.553)  ( -7.493,  16.265,  -4.552)  ( 0.03,  0.01,  0.01)
177:     torsion ( -3.199,  -2.788,   2.479)  ( -3.199,  -2.788,   2.479)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.131,  -7.171,   3.119)  (  1.131,  -7.171,   3.119)  ( 0.01,  0.00,  0.00)
177:     electro (  0.025,   0.096,  -0.043)  (  0.025,   0.096,  -0.043)  ( 0.00,  0.00,  0.00)
177: 45       ( -5.582,   7.292,   6.953)  ( -5.572,   7.295,   6.958)  ( 0.18,  0.05,  0.08)
177:     bond    (-10.157,   4.382,   6.381)  (-10.148,   4.383,   6.385)  ( 0.09,  0.04,  0.06)
177:     angle   ( -1.443,  -0.968,  -1.632)  ( -1.443,  -0.966,  -1.630)  ( 0.06,  0.20,  0.11)
177:     torsion (  2.298,   4.300,   0.702)  (  2.298,   4.299,   0.701)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.614,  -0.509,   1.475)  (  3.614,  -0.509,   1.475)  ( 0.00,  0.01,  0.00)
177:     electro (  0.107,   0.087,   0.027)  (  0.107,   0.087,   0.027)  ( 0.00,  0.00,  0.00)
177: 46       (  1.502,  -2.484,  22.995)  (  1.505,  -2.479,  23.008)  ( 0.19,  0.19,  0.06)
177:     bond    ( -3.493,   9.127,  26.544)  ( -3.492,   9.129,  26.556)  ( 0.01,  0.02,  0.05)
177:     angle   ( -3.216,   8.998,  -3.517)  ( -3.214,   9.000,  -3.516)  ( 0.07,  0.03,  0.01)
177:     torsion (  1.122,  -6.958,   2.539)  (  1.122,  -6.958,   2.539)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.029, -13.585,  -2.478)  (  7.029, -13.584,  -2.478)  ( 0.00,  0.01,  0.00)
177:     electro (  0.060,  -0.066,  -0.093)  (  0.060,  -0.066,  -0.093)  ( 0.00,  0.00,  0.00)
177: 47       ( 12.368,  -4.506,  -9.860)  ( 12.376,  -4.499,  -9.853)  ( 0.06,  0.14,  0.07)
177:     bond    (  3.308,  -3.151,  -3.452)  (  3.313,  -3.147,  -3.447)  ( 0.14,  0.14,  0.15)
177:     angle   ( -8.806, -11.034,   1.609)  ( -8.804, -11.032,   1.611)  ( 0.02,  0.02,  0.09)
177:     torsion (  0.935,  -1.718,   2.467)  (  0.935,  -1.718,   2.467)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 17.166,  11.473, -10.633)  ( 17.167,  11.474, -10.632)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.235,  -0.076,   0.149)  ( -0.235,  -0.076,   0.149)  ( 0.00,  0.00,  0.00)
177: 48       ( -8.697,   6.010,  -3.440)  ( -8.690,   6.018,  -3.435)  ( 0.08,  0.12,  0.15)
177:     bond    ( -5.745,   6.100,   4.627)  ( -5.740,   6.106,   4.630)  ( 0.09,  0.09,  0.07)
177:     angle   ( -1.120,   0.588,  -2.166)  ( -1.118,   0.590,  -2.164)  ( 0.15,  0.08,  0.07)
177:     torsion ( -2.382,   2.622,  -6.411)  ( -2.382,   2.622,  -6.411)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.557,  -3.149,   0.414)  (  0.557,  -3.149,   0.414)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.007,  -0.151,   0.096)  ( -0.007,  -0.151,   0.096)  ( 0.00,  0.00,  0.00)
177: 49       (  4.913,  -4.170, -18.999)  (  4.916,  -4.167, -18.986)  ( 0.05,  0.08,  0.07)
177:     bond    ( -1.163,   3.976, -17.396)  ( -1.163,   3.976, -17.383)  ( 0.01,  0.02,  0.08)
177:     angle   ( -1.866,  -8.632,  -1.849)  ( -1.864,  -8.630,  -1.849)  ( 0.13,  0.03,  0.01)
177:     torsion (  4.281,  -3.420,  -1.069)  (  4.281,  -3.420,  -1.069)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.684,   4.030,   1.201)  (  3.684,   4.030,   1.201)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.022,  -0.124,   0.114)  ( -0.022,  -0.124,   0.114)  ( 0.00,  0.00,  0.00)
177: 50       ( -2.928,  -5.591, -15.480)  ( -2.923,  -5.584, -15.471)  ( 0.15,  0.12,  0.05)
177:     bond    (  5.810,  -8.644, -10.914)  (  5.813,  -8.639, -10.907)  ( 0.04,  0.05,  0.07)
177:     angle   ( -1.237,   2.617,  -2.734)  ( -1.235,   2.619,  -2.733)  ( 0.17,  0.06,  0.04)
177:     torsion ( -3.418,   2.575,  -3.861)  ( -3.418,   2.575,  -3.861)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.067,  -2.271,   2.010)  ( -4.067,  -2.271,   2.010)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.016,   0.132,   0.019)  ( -0.016,   0.132,   0.019)  ( 0.00,  0.00,  0.00)
177: 51       ( 19.616,  -0.297,   9.656)  ( 19.620,  -0.292,   9.667)  ( 0.02,  0.13,  0.12)
177:     bond    ( -1.047,   1.371,  -3.118)  ( -1.046,   1.373,  -3.107)  ( 0.12,  0.15,  0.35)
177:     angle   (-19.284, -11.124,   1.573)  (-19.282, -11.122,   1.574)  ( 0.01,  0.02,  0.03)
177:     torsion (  4.242,  -4.702,  -3.506)  (  4.242,  -4.702,  -3.506)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 35.747,  14.123,  14.700)  ( 35.748,  14.124,  14.700)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.042,   0.035,   0.006)  ( -0.042,   0.035,   0.006)  ( 0.00,  0.00,  0.00)
177: 52       (-13.704,   6.920,  -1.069)  (-13.701,   6.923,  -1.057)  ( 0.03,  0.05,  1.14)
177:     bond    ( -3.332,   2.481,  -9.253)  ( -3.330,   2.482,  -9.241)  ( 0.05,  0.04,  0.13)
177:     angle   ( -2.775,   9.142,   3.455)  ( -2.773,   9.144,   3.455)  ( 0.08,  0.02,  0.01)
177:     torsion ( -4.300,   1.076,   1.838)  ( -4.300,   1.076,   1.838)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.362,  -5.634,   2.789)  ( -3.362,  -5.634,   2.789)  ( 0.00,  0.00,  0.00)
177:     electro (  0.065,  -0.146,   0.101)  (  0.065,  -0.146,   0.101)  ( 0.00,  0.00,  0.00)
177: 53       ( -6.772,   4.115,  19.114)  ( -6.767,   4.123,  19.121)  ( 0.07,  0.20,  0.04)
177:     bond    ( -7.768,  13.770,  12.651)  ( -7.765,  13.777,  12.656)  ( 0.03,  0.05,  0.04)
177:     angle   ( -6.357,  -8.669,   5.534)  ( -6.355,  -8.668,   5.535)  ( 0.03,  0.02,  0.02)
177:     torsion (  3.944,   1.224,   1.087)  (  3.944,   1.224,   1.087)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.332,  -2.032,  -0.117)  (  3.332,  -2.032,  -0.117)  ( 0.00,  0.01,  0.00)
177:     electro (  0.077,  -0.179,  -0.041)  (  0.077,  -0.179,  -0.041)  ( 0.00,  0.00,  0.00)
177: 54       ( -9.251,  -2.073,  15.373)  ( -9.249,  -2.071,  15.387)  ( 0.03,  0.14,  0.09)
177:     bond    ( -1.729,   0.440,  19.656)  ( -1.729,   0.440,  19.670)  ( 0.01,  0.00,  0.07)
177:     angle   ( -0.508,  -2.205,   0.005)  ( -0.506,  -2.203,   0.005)  ( 0.12,  0.12,  0.00)
177:     torsion ( -7.215,  -1.283,  -0.605)  ( -7.215,  -1.283,  -0.605)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.152,   0.997,  -3.350)  (  0.152,   0.997,  -3.350)  ( 0.00,  0.01,  0.00)
177:     electro (  0.049,  -0.022,  -0.333)  (  0.049,  -0.022,  -0.333)  ( 0.00,  0.00,  0.00)
177: 55       (  2.696,  -3.472,  -0.969)  (  2.709,  -3.469,  -0.965)  ( 0.49,  0.08,  0.30)
177:     bond    ( -0.003,   0.001,   0.002)  (  0.010,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
177:     angle   (  0.968, -19.998,   2.649)  (  0.968, -19.996,   2.651)  ( 0.02,  0.01,  0.07)
177:     torsion (  0.546,   0.938,  -2.130)  (  0.546,   0.938,  -2.130)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.265,  15.526,  -1.506)  (  1.265,  15.526,  -1.506)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.079,   0.063,   0.017)  ( -0.079,   0.063,   0.017)  ( 0.00,  0.00,  0.00)
177: 56       ( -7.342, -13.590,  -2.119)  ( -7.340, -13.587,  -2.105)  ( 0.03,  0.02,  0.64)
177:     bond    ( -0.228,  -1.518,  -7.046)  ( -0.228,  -1.517,  -7.032)  ( 0.00,  0.04,  0.19)
177:     angle   (  1.375, -14.093,   2.995)  (  1.377, -14.091,   2.995)  ( 0.16,  0.01,  0.00)
177:     torsion ( -2.507,  -1.771,   0.463)  ( -2.507,  -1.771,   0.463)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.863,   3.701,   1.444)  ( -5.863,   3.701,   1.444)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.119,   0.091,   0.025)  ( -0.119,   0.091,   0.025)  ( 0.00,  0.00,  0.00)
177: 57       ( -3.437, -13.153,  10.542)  ( -3.433, -13.143,  10.547)  ( 0.12,  0.07,  0.05)
177:     bond    ( -7.015, -14.859,   9.112)  ( -7.013, -14.850,   9.116)  ( 0.03,  0.06,  0.04)
177:     angle   (  5.572,  -2.900,  -0.436)  (  5.574,  -2.899,  -0.434)  ( 0.03,  0.03,  0.07)
177:     torsion (  1.664,   0.516,   2.120)  (  1.664,   0.516,   2.120)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.550,   3.955,  -0.253)  ( -3.550,   3.955,  -0.253)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.108,   0.135,  -0.002)  ( -0.108,   0.135,  -0.002)  ( 0.00,  0.00,  0.00)
177: 58       ( -8.967,  -0.985,  -4.497)  ( -8.961,  -0.975,  -4.494)  ( 0.07,  0.96,  0.06)
177:     bond    ( -3.054,   4.137,   0.969)  ( -3.049,   4.146,   0.970)  ( 0.16,  0.21,  0.05)
177:     angle   (-10.621,  -6.790,  -4.360)  (-10.619,  -6.789,  -4.358)  ( 0.01,  0.01,  0.05)
177:     torsion (  0.462,   0.660,  -1.369)  (  0.462,   0.660,  -1.369)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.078,   1.000,   0.239)  (  4.078,   1.001,   0.239)  ( 0.00,  0.00,  0.00)
177:     electro (  0.167,   0.007,   0.023)  (  0.167,   0.007,   0.023)  ( 0.00,  0.00,  0.00)
177: 59       ( -9.358, -11.621,   0.696)  ( -9.353, -11.611,   0.700)  ( 0.05,  0.08,  0.29)
177:     bond    ( -6.959, -12.644,   6.347)  ( -6.957, -12.635,   6.349)  ( 0.04,  0.07,  0.04)
177:     angle   ( -7.398,   0.405,  -7.299)  ( -7.396,   0.405,  -7.297)  ( 0.02,  0.03,  0.02)
177:     torsion ( -0.575,   0.888,   1.138)  ( -0.575,   0.888,   1.138)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.404,  -0.292,   0.487)  (  5.404,  -0.292,   0.487)  ( 0.00,  0.00,  0.00)
177:     electro (  0.171,   0.023,   0.023)  (  0.171,   0.023,   0.023)  ( 0.00,  0.00,  0.00)
177: 60       ( -3.589,  -9.768,  -9.617)  ( -3.587,  -9.766,  -9.603)  ( 0.07,  0.02,  0.14)
177:     bond    (  0.325,  -1.894, -13.079)  (  0.325,  -1.894, -13.065)  ( 0.00,  0.02,  0.11)
177:     angle   (-10.501,  -5.287,   0.505)  (-10.499,  -5.285,   0.505)  ( 0.02,  0.04,  0.00)
177:     torsion (  0.134,  -1.812,   0.266)  (  0.134,  -1.811,   0.266)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.306,  -0.790,   2.628)  (  6.306,  -0.790,   2.628)  ( 0.00,  0.00,  0.00)
177:     electro (  0.147,   0.015,   0.063)  (  0.147,   0.015,   0.063)  ( 0.00,  0.00,  0.00)
177: 61       (  1.131,  -1.661,   5.517)  (  1.143,  -1.658,   5.521)  ( 1.07,  0.18,  0.07)
177:     bond    (  0.790,   0.192,   0.327)  (  0.801,   0.193,   0.329)  ( 0.91,  0.01,  0.06)
177:     angle   ( -1.535, -14.190,  12.056)  ( -1.535, -14.188,  12.058)  ( 0.03,  0.01,  0.02)
177:     torsion ( -1.058,   2.524,   1.095)  ( -1.058,   2.524,   1.095)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.958,   9.790,  -7.974)  (  2.958,   9.790,  -7.974)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.024,   0.022,   0.013)  ( -0.024,   0.022,   0.013)  ( 0.00,  0.00,  0.00)
177: 62       (-18.793,  -8.916,  -2.322)  (-18.790,  -8.902,  -2.319)  ( 0.02,  0.16,  0.11)
177:     bond    ( -0.155,  -1.815,   0.061)  ( -0.155,  -1.801,   0.061)  ( 0.00,  0.77,  0.00)
177:     angle   ( 11.176,  -0.415,  16.278)  ( 11.178,  -0.415,  16.280)  ( 0.02,  0.00,  0.01)
177:     torsion (  3.102,  -0.284,  -0.492)  (  3.102,  -0.284,  -0.492)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-32.887,  -6.407, -18.129)  (-32.886,  -6.407, -18.129)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.028,   0.005,  -0.039)  ( -0.028,   0.005,  -0.039)  ( 0.00,  0.00,  0.00)
177: 63       ( -9.679,   4.907,   3.945)  ( -9.671,   4.911,   3.952)  ( 0.08,  0.08,  0.18)
177:     bond    ( -9.380,   5.378,   8.317)  ( -9.373,   5.380,   8.322)  ( 0.07,  0.04,  0.06)
177:     angle   (  2.019,  -0.632,   2.681)  (  2.020,  -0.630,   2.682)  ( 0.05,  0.11,  0.06)
177:     torsion ( -1.826,  -2.219,  -0.622)  ( -1.826,  -2.219,  -0.622)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.491,   2.299,  -6.394)  ( -0.491,   2.299,  -6.394)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.001,   0.081,  -0.036)  ( -0.001,   0.081,  -0.036)  ( 0.00,  0.00,  0.00)
177: 64       ( 14.765,  -3.549,   0.688)  ( 14.779,  -3.547,   0.692)  ( 0.09,  0.07,  0.24)
177:     bond    (  5.465,   0.880,  -1.324)  (  5.478,   0.880,  -1.323)  ( 0.24,  0.03,  0.06)
177:     angle   ( -3.603, -13.053, -23.595)  ( -3.602, -13.051, -23.593)  ( 0.01,  0.02,  0.01)
177:     torsion (  0.640,  -2.270,   1.141)  (  0.640,  -2.270,   1.141)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.181,  10.982,  24.513)  ( 12.181,  10.982,  24.513)  ( 0.00,  0.00,  0.00)
177:     electro (  0.082,  -0.088,  -0.046)  (  0.082,  -0.088,  -0.046)  ( 0.00,  0.00,  0.00)
177: 65       (  3.892,  10.006,  -9.110)  (  3.898,  10.011,  -9.101)  ( 0.15,  0.04,  0.10)
177:     bond    ( -2.770,   2.059,  -3.865)  ( -2.766,   2.061,  -3.858)  ( 0.15,  0.11,  0.20)
177:     angle   ( 15.805, -10.041, -16.698)  ( 15.807, -10.039, -16.697)  ( 0.01,  0.02,  0.01)
177:     torsion (  1.831,   1.886,  -0.305)  (  1.831,   1.887,  -0.305)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.990,  16.110,  11.893)  (-10.990,  16.110,  11.894)  ( 0.00,  0.00,  0.00)
177:     electro (  0.017,  -0.008,  -0.136)  (  0.017,  -0.008,  -0.136)  ( 0.00,  0.00,  0.00)
177: 66       ( -9.115,  -9.006,  -1.471)  ( -9.113,  -8.992,  -1.468)  ( 0.03,  0.15,  0.18)
177:     bond    ( -0.323,  -2.331,  -0.063)  ( -0.323,  -2.317,  -0.063)  ( 0.01,  0.59,  0.00)
177:     angle   ( 11.074,  -1.131, -15.051)  ( 11.076,  -1.131, -15.049)  ( 0.02,  0.00,  0.02)
177:     torsion ( -2.233,   0.331,  -0.749)  ( -2.233,   0.331,  -0.749)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.663,  -5.755,  14.342)  (-17.663,  -5.755,  14.342)  ( 0.00,  0.00,  0.00)
177:     electro (  0.030,  -0.120,   0.051)  (  0.030,  -0.120,   0.051)  ( 0.00,  0.00,  0.00)
177: 67       (  5.918,  -9.153,   3.030)  (  5.921,  -9.139,   3.033)  ( 0.05,  0.15,  0.08)
177:     bond    (  1.178, -11.514,   0.493)  (  1.178, -11.500,   0.493)  ( 0.02,  0.12,  0.00)
177:     angle   (  6.250,   1.025,   8.968)  (  6.252,   1.025,   8.970)  ( 0.04,  0.00,  0.02)
177:     torsion (  0.695,  -0.077,  -3.453)  (  0.695,  -0.077,  -3.453)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.325,   1.329,  -2.927)  ( -2.325,   1.329,  -2.927)  ( 0.01,  0.00,  0.00)
177:     electro (  0.121,   0.084,  -0.051)  (  0.121,   0.084,  -0.051)  ( 0.00,  0.00,  0.00)
177: 68       (  0.482,   2.947,  13.576)  (  0.486,   2.950,  13.588)  ( 0.18,  0.12,  0.09)
177:     bond    ( -4.784,   4.778,  14.747)  ( -4.782,   4.780,  14.759)  ( 0.03,  0.03,  0.08)
177:     angle   (  8.501,  -1.938,   3.382)  (  8.503,  -1.936,   3.382)  ( 0.03,  0.10,  0.01)
177:     torsion (  0.482,  -4.936,   1.755)  (  0.482,  -4.936,   1.755)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.760,   4.943,  -6.294)  ( -3.759,   4.943,  -6.294)  ( 0.00,  0.00,  0.00)
177:     electro (  0.042,   0.099,  -0.014)  (  0.042,   0.099,  -0.014)  ( 0.00,  0.00,  0.00)
177: 69       (  9.153,  -3.697, -10.224)  (  9.158,  -3.692, -10.214)  ( 0.05,  0.15,  0.09)
177:     bond    (  0.831,  -0.975,  -1.503)  (  0.834,  -0.971,  -1.495)  ( 0.21,  0.34,  0.54)
177:     angle   (  2.396, -12.562,   9.494)  (  2.397, -12.560,   9.495)  ( 0.08,  0.02,  0.01)
177:     torsion (  5.617,  -2.100,   4.496)  (  5.617,  -2.100,   4.496)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.258,  12.064, -22.714)  (  0.259,  12.064, -22.714)  ( 0.02,  0.00,  0.00)
177:     electro (  0.051,  -0.125,   0.004)  (  0.051,  -0.125,   0.004)  ( 0.00,  0.00,  0.00)
177: 70       (  7.709,  -1.420,  13.480)  (  7.716,  -1.417,  13.489)  ( 0.09,  0.22,  0.07)
177:     bond    (  9.230,  -2.843,  12.603)  (  9.235,  -2.843,  12.611)  ( 0.05,  0.02,  0.07)
177:     angle   ( -0.993,  -6.827,  -0.813)  ( -0.992,  -6.825,  -0.812)  ( 0.15,  0.03,  0.06)
177:     torsion ( -3.437,   2.418,   3.061)  ( -3.437,   2.418,   3.061)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.924,   5.851,  -1.469)  (  2.924,   5.851,  -1.469)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.015,  -0.018,   0.098)  ( -0.015,  -0.018,   0.098)  ( 0.00,  0.00,  0.00)
177: 71       ( 15.337,   0.468,  -6.953)  ( 15.349,   0.472,  -6.949)  ( 0.08,  0.18,  0.06)
177:     bond    ( 10.156,   4.115,  -3.749)  ( 10.167,   4.117,  -3.748)  ( 0.11,  0.04,  0.04)
177:     angle   ( -2.895, -13.080, -22.219)  ( -2.894, -13.078, -22.217)  ( 0.02,  0.01,  0.01)
177:     torsion (  0.311,  -0.472,   0.325)  (  0.311,  -0.472,   0.325)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.727,  10.056,  18.626)  (  7.727,  10.056,  18.626)  ( 0.00,  0.00,  0.00)
177:     electro (  0.039,  -0.151,   0.065)  (  0.039,  -0.151,   0.065)  ( 0.00,  0.00,  0.00)
177: 72       ( -2.716,   3.451, -11.879)  ( -2.708,   3.454, -11.870)  ( 0.29,  0.08,  0.07)
177:     bond    ( -5.252,   1.505,  -5.857)  ( -5.246,   1.506,  -5.849)  ( 0.12,  0.04,  0.13)
177:     angle   ( 16.316,  -1.564, -15.037)  ( 16.317,  -1.562, -15.036)  ( 0.01,  0.13,  0.01)
177:     torsion (  0.522,   0.865,  -0.245)  (  0.522,   0.865,  -0.245)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.285,   2.813,   9.371)  (-14.285,   2.813,   9.371)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.017,  -0.168,  -0.111)  ( -0.017,  -0.168,  -0.111)  ( 0.00,  0.00,  0.00)
177: 73       ( -1.977,  -8.183,  -0.263)  ( -1.974,  -8.169,  -0.260)  ( 0.12,  0.17,  0.07)
177:     bond    (  0.203,  -1.906,   0.142)  (  0.203,  -1.892,   0.142)  ( 0.00,  0.73,  0.00)
177:     angle   ( 11.906,   0.081, -15.902)  ( 11.908,   0.081, -15.899)  ( 0.02,  0.00,  0.02)
177:     torsion ( -0.518,  -0.066,  -0.135)  ( -0.518,  -0.066,  -0.135)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.619,  -6.139,  15.500)  (-13.619,  -6.139,  15.500)  ( 0.00,  0.00,  0.00)
177:     electro (  0.052,  -0.154,   0.131)  (  0.052,  -0.154,   0.131)  ( 0.00,  0.00,  0.00)
177: 74       ( -9.261,   1.471,  -4.775)  ( -9.256,   1.473,  -4.764)  ( 0.06,  0.14,  0.21)
177:     bond    ( -3.300,  -2.275,  -4.913)  ( -3.296,  -2.273,  -4.904)  ( 0.13,  0.09,  0.19)
177:     angle   ( -0.706,  -0.289,   0.607)  ( -0.705,  -0.289,   0.608)  ( 0.08,  0.01,  0.05)
177:     torsion ( -2.796,   5.459,  -0.652)  ( -2.796,   5.459,  -0.652)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.459,  -1.424,   0.183)  ( -2.459,  -1.424,   0.183)  ( 0.00,  0.00,  0.00)
177: ok 22 # gradients 
177: ok 23 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (243.435, -129.883,  97.853)  (243.468, -129.847,  97.862)  ( 0.01,  0.03,  0.01)
177:     bond    ( 13.714, -161.918,  57.015)  ( 13.737, -161.892,  57.019)  ( 0.16,  0.02,  0.01)
177:     angle   (241.825,  42.374,  40.057)  (241.835,  42.383,  40.058)  ( 0.00,  0.02,  0.00)
177:     torsion (  1.708,  -1.592,   0.535)  (  1.708,  -1.591,   0.539)  ( 0.03,  0.05,  0.24)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.823,  -7.893,  -0.106)  (-14.823,  -7.893,  -0.106)  ( 0.00,  0.00,  0.00)
177:     electro (  1.012,  -0.854,   0.352)  (  1.012,  -0.854,   0.352)  ( 0.00,  0.00,  0.00)
177:  2       (-213.165, 239.894, -122.837)  (-213.131, 239.930, -122.828)  ( 0.02,  0.01,  0.01)
177:     bond    ( 41.916, 143.345, -37.441)  ( 41.937, 143.373, -37.437)  ( 0.05,  0.02,  0.01)
177:     angle   (-253.888,  71.912, -100.043)  (-253.878,  71.918, -100.043)  ( 0.00,  0.01,  0.00)
177:     torsion ( -6.134,   7.270,  24.251)  ( -6.134,   7.271,  24.255)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.565,  18.251,  -9.760)  (  5.566,  18.252,  -9.761)  ( 0.02,  0.00,  0.00)
177:     electro ( -0.624,  -0.884,   0.157)  ( -0.624,  -0.884,   0.157)  ( 0.00,  0.00,  0.00)
177:  3       (-150.025, 122.428, -24.536)  (-149.990, 122.475, -24.531)  ( 0.02,  0.04,  0.02)
177:     bond    (-100.738, 108.256, -17.186)  (-100.713, 108.294, -17.185)  ( 0.02,  0.04,  0.01)
177:     angle   (-47.166,  14.804,  -4.640)  (-47.156,  14.813,  -4.640)  ( 0.02,  0.06,  0.02)
177:     torsion ( -1.343,   3.194,  -3.831)  ( -1.343,   3.194,  -3.828)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.737,   0.521,  -2.281)  ( -6.737,   0.521,  -2.281)  ( 0.00,  0.01,  0.00)
177:     electro (  5.959,  -4.347,   3.403)  (  5.959,  -4.347,   3.403)  ( 0.00,  0.00,  0.00)
177:  4       (  9.643, -88.299,  28.696)  (  9.675, -88.259,  28.708)  ( 0.33,  0.05,  0.04)
177:     bond    (  3.149,  11.268,  -3.764)  (  3.171,  11.298,  -3.757)  ( 0.73,  0.27,  0.19)
177:     angle   (  6.039, -82.872,  35.774)  (  6.047, -82.864,  35.776)  ( 0.14,  0.01,  0.01)
177:     torsion (  2.826,  -1.640,  -8.348)  (  2.826,  -1.640,  -8.344)  ( 0.01,  0.05,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.918, -17.675,   7.022)  (  0.919, -17.674,   7.022)  ( 0.01,  0.00,  0.00)
177:     electro ( -3.288,   2.621,  -1.988)  ( -3.288,   2.621,  -1.988)  ( 0.00,  0.00,  0.00)
177:  5       (-20.852,  34.625, -37.259)  (-20.847,  34.648, -37.253)  ( 0.02,  0.07,  0.01)
177:     bond    (  1.606,  57.568, -25.196)  (  1.606,  57.591, -25.191)  ( 0.02,  0.04,  0.02)
177:     angle   (-24.563,  -1.326,  -4.597)  (-24.559,  -1.326,  -4.597)  ( 0.02,  0.00,  0.01)
177:     torsion (  3.709,  -8.418, -19.008)  (  3.709,  -8.418, -19.008)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.625, -10.274,   7.171)  (-12.624, -10.274,   7.171)  ( 0.01,  0.00,  0.00)
177:     electro ( 11.021,  -2.925,   4.371)  ( 11.021,  -2.925,   4.371)  ( 0.00,  0.00,  0.00)
177:  6       (-387.995,  95.745, -78.809)  (-387.959,  95.780, -78.800)  ( 0.01,  0.04,  0.01)
177:     bond    (-170.923, 156.286, -74.681)  (-170.899, 156.312, -74.678)  ( 0.01,  0.02,  0.00)
177:     angle   (-219.890, -40.280, -20.904)  (-219.880, -40.272, -20.903)  ( 0.00,  0.02,  0.00)
177:     torsion ( -1.343,   3.083,   6.957)  ( -1.343,   3.084,   6.962)  ( 0.00,  0.02,  0.06)
177:     oop     ( -0.005,   0.013,   0.040)  ( -0.005,   0.013,   0.040)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.646, -22.596,   9.528)  (  3.647, -22.596,   9.528)  ( 0.03,  0.00,  0.00)
177:     electro (  0.521,  -0.761,   0.251)  (  0.521,  -0.761,   0.251)  ( 0.00,  0.00,  0.00)
177:  7       (173.034, -205.670,  88.803)  (173.075, -205.632,  88.813)  ( 0.02,  0.02,  0.01)
177:     bond    (-30.994,  23.260, -12.018)  (-30.963,  23.288, -12.014)  ( 0.10,  0.12,  0.04)
177:     angle   (209.295, -246.958, 102.767)  (209.304, -246.949, 102.766)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.848,   0.390,   3.384)  ( -0.847,   0.391,   3.389)  ( 0.01,  0.02,  0.16)
177:     oop     ( -0.064,   0.173,   0.491)  ( -0.064,   0.173,   0.491)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.122,  18.379,  -6.122)  ( -5.121,  18.379,  -6.122)  ( 0.02,  0.00,  0.00)
177:     electro (  0.767,  -0.914,   0.302)  (  0.767,  -0.914,   0.302)  ( 0.00,  0.00,  0.00)
177:  8       (176.395,  20.267,  22.152)  (176.428,  20.297,  22.159)  ( 0.02,  0.15,  0.03)
177:     bond    (126.293, -50.819,  33.089)  (126.321, -50.798,  33.091)  ( 0.02,  0.04,  0.01)
177:     angle   ( 34.480,  88.092, -24.751)  ( 34.485,  88.100, -24.750)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.863,   2.056,   6.381)  ( -0.863,   2.057,   6.384)  ( 0.00,  0.02,  0.05)
177:     oop     (  0.045,  -0.120,  -0.365)  (  0.045,  -0.120,  -0.364)  ( 0.00,  0.00,  0.02)
177:     vdw     ( 16.167, -19.067,   7.814)  ( 16.168, -19.066,   7.814)  ( 0.00,  0.00,  0.00)
177:     electro (  0.272,   0.124,  -0.016)  (  0.272,   0.124,  -0.016)  ( 0.00,  0.00,  0.00)
177:  9       (239.894, -72.401, -15.239)  (239.924, -72.370, -15.231)  ( 0.01,  0.04,  0.05)
177:     bond    (123.035, -74.312,  32.669)  (123.062, -74.290,  32.673)  ( 0.02,  0.03,  0.01)
177:     angle   (106.566, -15.151, -14.452)  (106.568, -15.143, -14.450)  ( 0.00,  0.05,  0.01)
177:     torsion (  4.251,  -6.973, -25.732)  (  4.251,  -6.973, -25.729)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.962,  16.449,  -7.787)  ( -0.962,  16.450,  -7.787)  ( 0.01,  0.00,  0.00)
177:     electro (  7.003,   7.586,   0.063)  (  7.003,   7.586,   0.063)  ( 0.00,  0.00,  0.00)
177: 10       (-213.303, 251.697, -120.074)  (-213.267, 251.729, -120.066)  ( 0.02,  0.01,  0.01)
177:     bond    (-198.774, -33.489, -14.358)  (-198.745, -33.469, -14.355)  ( 0.01,  0.06,  0.02)
177:     angle   (-15.676, 272.089, -97.794)  (-15.670, 272.098, -97.793)  ( 0.04,  0.00,  0.00)
177:     torsion ( -0.557,   1.730,   5.848)  ( -0.557,   1.730,   5.851)  ( 0.00,  0.03,  0.06)
177:     oop     (  0.191,  -0.578,  -1.569)  (  0.191,  -0.578,  -1.569)  ( 0.00,  0.00,  0.04)
177:     vdw     (  1.608,  11.677, -12.164)  (  1.609,  11.678, -12.164)  ( 0.03,  0.01,  0.00)
177:     electro ( -0.095,   0.269,  -0.036)  ( -0.095,   0.269,  -0.036)  ( 0.00,  0.00,  0.00)
177: 11       ( 91.395, -97.429,  11.923)  ( 91.433, -97.396,  11.930)  ( 0.04,  0.03,  0.06)
177:     bond    (205.126, -17.769,  30.132)  (205.153, -17.743,  30.136)  ( 0.01,  0.15,  0.01)
177:     angle   (-127.916, -87.978,  -9.803)  (-127.906, -87.973,  -9.802)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.628,   0.279,  -5.824)  ( -0.628,   0.280,  -5.821)  ( 0.01,  0.01,  0.05)
177:     oop     ( -0.028,   0.097,   0.238)  ( -0.028,   0.097,   0.238)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.867,   8.063,  -2.849)  ( 14.868,   8.063,  -2.849)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.027,  -0.120,   0.028)  ( -0.027,  -0.120,   0.028)  ( 0.00,  0.00,  0.00)
177: 12       ( -9.502,  -5.347,   2.856)  ( -9.497,  -5.334,   2.859)  ( 0.04,  0.24,  0.10)
177:     bond    ( -0.172,  -3.228,   1.215)  ( -0.171,  -3.216,   1.217)  ( 0.00,  0.39,  0.15)
177:     angle   (-17.373,   0.415,  -1.350)  (-17.370,   0.415,  -1.350)  ( 0.02,  0.00,  0.01)
177:     torsion ( -0.986,   2.554,   6.610)  ( -0.986,   2.555,   6.611)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.068,   0.230,   0.598)  ( -0.068,   0.230,   0.598)  ( 0.00,  0.00,  0.01)
177:     vdw     (  8.319,  -3.681,  -4.283)  (  8.320,  -3.681,  -4.283)  ( 0.01,  0.00,  0.00)
177:     electro (  0.778,  -1.637,   0.066)  (  0.778,  -1.637,   0.066)  ( 0.00,  0.00,  0.00)
177: 13       ( 35.280,  -2.720,   5.343)  ( 35.316,  -2.686,   5.352)  ( 0.10,  1.28,  0.16)
177:     bond    (-17.572,  68.840, -24.748)  (-17.546,  68.867, -24.745)  ( 0.15,  0.04,  0.01)
177:     angle   ( 53.028, -48.241,  22.126)  ( 53.038, -48.234,  22.127)  ( 0.02,  0.02,  0.00)
177:     torsion (  0.215,  -1.026,  -3.228)  (  0.215,  -1.025,  -3.224)  ( 0.00,  0.04,  0.12)
177:     oop     ( -0.098,   0.247,   0.753)  ( -0.098,   0.247,   0.754)  ( 0.00,  0.00,  0.05)
177:     vdw     (  4.357, -19.538,   9.903)  (  4.358, -19.538,   9.903)  ( 0.02,  0.00,  0.00)
177:     electro ( -4.650,  -3.002,   0.537)  ( -4.650,  -3.002,   0.537)  ( 0.00,  0.00,  0.00)
177: 14       (  4.875,  -2.048,   1.248)  (  4.878,  -2.035,   1.250)  ( 0.05,  0.64,  0.17)
177:     bond    ( -0.012,  -0.862,   0.280)  ( -0.012,  -0.849,   0.281)  ( 0.00,  1.12,  0.04)
177:     angle   ( -5.352,  -0.132,  -0.628)  ( -5.350,  -0.132,  -0.628)  ( 0.03,  0.00,  0.00)
177:     torsion ( -0.024,   0.064,   0.192)  ( -0.024,   0.064,   0.193)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.006,   0.017,   0.051)  ( -0.006,   0.017,   0.051)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.767,  -1.427,   1.446)  ( 11.768,  -1.427,   1.446)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.497,   0.293,  -0.093)  ( -1.497,   0.293,  -0.093)  ( 0.00,  0.00,  0.00)
177: 15       (-29.961, -53.287,  21.519)  (-29.949, -53.279,  21.521)  ( 0.04,  0.01,  0.01)
177:     bond    (  5.687,  -3.544,   1.953)  (  5.698,  -3.540,   1.954)  ( 0.18,  0.11,  0.06)
177:     angle   ( 17.524,  24.913,  -5.968)  ( 17.525,  24.915,  -5.968)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.283,  -0.691,  -2.078)  (  0.283,  -0.691,  -2.077)  ( 0.00,  0.01,  0.04)
177:     oop     (  0.033,  -0.079,  -0.240)  (  0.033,  -0.079,  -0.240)  ( 0.00,  0.00,  0.00)
177:     vdw     (-55.285, -74.520,  28.523)  (-55.284, -74.518,  28.523)  ( 0.00,  0.00,  0.00)
177:     electro (  1.796,   0.634,  -0.671)  (  1.796,   0.634,  -0.671)  ( 0.00,  0.00,  0.00)
177: 16       (-93.458, -78.831, 108.133)  (-93.427, -78.805, 108.145)  ( 0.03,  0.03,  0.01)
177:     bond    (-86.251, -62.985,  59.792)  (-86.227, -62.966,  59.798)  ( 0.03,  0.03,  0.01)
177:     angle   ( -0.284,  -9.354,  55.228)  ( -0.278,  -9.346,  55.233)  ( 0.19,  0.08,  0.01)
177:     torsion (  4.732,  -8.367,  -0.701)  (  4.732,  -8.367,  -0.701)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.001,  -3.425,  -2.168)  ( -9.000,  -3.425,  -2.168)  ( 0.00,  0.01,  0.00)
177:     electro ( -2.654,   5.299,  -4.017)  ( -2.654,   5.299,  -4.017)  ( 0.00,  0.00,  0.00)
177: 17       (-59.217,  68.094,  99.158)  (-59.200,  68.131,  99.189)  ( 0.03,  0.05,  0.03)
177:     bond    (-14.572,   8.759,  35.421)  (-14.563,   8.786,  35.442)  ( 0.06,  0.31,  0.06)
177:     angle   (-30.431,  50.753,  66.157)  (-30.424,  50.763,  66.167)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.561,  -2.636,   2.948)  (  0.561,  -2.636,   2.949)  ( 0.02,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.500,  10.680,  -5.146)  (-14.499,  10.680,  -5.146)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.274,   0.538,  -0.223)  ( -0.274,   0.538,  -0.223)  ( 0.00,  0.00,  0.00)
177: 18       ( 18.743,   7.225,   1.367)  ( 18.754,   7.232,   1.371)  ( 0.06,  0.09,  0.24)
177:     bond    (  9.683,  -6.296,   4.710)  (  9.691,  -6.292,   4.713)  ( 0.09,  0.06,  0.05)
177:     angle   (  5.877,   8.285,  -1.025)  (  5.878,   8.287,  -1.024)  ( 0.02,  0.03,  0.02)
177:     torsion ( -0.696,   0.896,   2.626)  ( -0.696,   0.896,   2.627)  ( 0.00,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  9.432,   9.448,  -6.296)  (  9.433,   9.448,  -6.296)  ( 0.00,  0.01,  0.00)
177:     electro ( -5.553,  -5.108,   1.352)  ( -5.553,  -5.108,   1.352)  ( 0.00,  0.00,  0.00)
177: 19       ( 31.262,  -3.433, -23.037)  ( 31.290,  -3.405, -23.010)  ( 0.09,  0.81,  0.12)
177:     bond    ( 16.659, -41.413, -39.745)  ( 16.677, -41.394, -39.726)  ( 0.11,  0.05,  0.05)
177:     angle   ( 28.813,  16.760,   6.269)  ( 28.822,  16.768,   6.277)  ( 0.03,  0.05,  0.12)
177:     torsion ( -4.337,   6.828,  -5.077)  ( -4.337,   6.828,  -5.077)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.694,  14.431,  15.138)  ( -9.693,  14.431,  15.138)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.179,  -0.038,   0.379)  ( -0.179,  -0.038,   0.379)  ( 0.00,  0.00,  0.00)
177: 20       ( 34.360,  72.561, -31.770)  ( 34.388,  72.590, -31.743)  ( 0.08,  0.04,  0.08)
177:     bond    (-32.639,  38.555,  -3.353)  (-32.621,  38.574,  -3.334)  ( 0.06,  0.05,  0.56)
177:     angle   ( 15.456,   2.881,  -6.003)  ( 15.465,   2.891,  -5.996)  ( 0.06,  0.32,  0.13)
177:     torsion (  1.494,  -0.570,   7.900)  (  1.494,  -0.570,   7.900)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 50.194,  32.876, -30.506)  ( 50.194,  32.877, -30.505)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.145,  -1.181,   0.192)  ( -0.145,  -1.181,   0.192)  ( 0.00,  0.00,  0.00)
177: 21       (  1.450, -13.355,  -5.871)  (  1.461, -13.349,  -5.869)  ( 0.73,  0.05,  0.04)
177:     bond    (  6.671,  -4.488,   0.587)  (  6.681,  -4.484,   0.587)  ( 0.14,  0.10,  0.01)
177:     angle   (-10.824, -17.938, -13.829)  (-10.823, -17.936, -13.827)  ( 0.01,  0.01,  0.02)
177:     torsion (  0.092,   0.258,   0.924)  (  0.092,   0.258,   0.924)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.370,   8.090,   5.502)  (  5.371,   8.090,   5.502)  ( 0.00,  0.00,  0.00)
177:     electro (  0.140,   0.723,   0.945)  (  0.140,   0.723,   0.945)  ( 0.00,  0.00,  0.00)
177: 22       (  5.351,   0.480, -12.277)  (  5.353,   0.484, -12.264)  ( 0.04,  0.18,  0.11)
177:     bond    ( -1.188,   4.315, -13.803)  ( -1.188,   4.316, -13.790)  ( 0.01,  0.03,  0.09)
177:     angle   (  6.627,  -4.394,  -1.946)  (  6.629,  -4.392,  -1.946)  ( 0.03,  0.05,  0.01)
177:     torsion (  0.961,  -1.516,  -0.557)  (  0.961,  -1.516,  -0.557)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.463,   1.716,   3.044)  ( -1.463,   1.716,   3.044)  ( 0.00,  0.00,  0.00)
177:     electro (  0.414,   0.359,   0.986)  (  0.414,   0.359,   0.986)  ( 0.00,  0.00,  0.00)
177: 23       ( -9.348,  66.052,   6.198)  ( -9.321,  66.080,   6.225)  ( 0.29,  0.04,  0.42)
177:     bond    (-15.976, -14.308,   0.725)  (-15.958, -14.290,   0.743)  ( 0.12,  0.12,  1.33)
177:     angle   (  7.263,  52.187,   0.459)  (  7.272,  52.196,   0.467)  ( 0.12,  0.02,  0.34)
177:     torsion (  1.357,   4.220,  -1.018)  (  1.357,   4.220,  -1.017)  ( 0.01,  0.01,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.052,  23.747,   5.943)  ( -2.052,  23.748,   5.943)  ( 0.00,  0.00,  0.00)
177:     electro (  0.060,   0.205,   0.089)  (  0.060,   0.205,   0.089)  ( 0.00,  0.00,  0.00)
177: 24       ( -3.458,   6.379,   4.175)  ( -3.455,   6.388,   4.182)  ( 0.08,  0.14,  0.18)
177:     bond    (  0.248,   7.426,   6.618)  (  0.248,   7.434,   6.624)  ( 0.00,  0.11,  0.09)
177:     angle   (-12.472,  -2.222,   2.957)  (-12.469,  -2.221,   2.959)  ( 0.02,  0.04,  0.04)
177:     torsion (  0.579,  -0.504,   0.544)  (  0.579,  -0.504,   0.544)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.907,   3.337,  -6.670)  (  7.908,   3.337,  -6.670)  ( 0.00,  0.00,  0.00)
177:     electro (  0.279,  -1.658,   0.725)  (  0.279,  -1.658,   0.725)  ( 0.00,  0.00,  0.00)
177: 25       ( 47.600, -21.511, -33.250)  ( 47.628, -21.483, -33.223)  ( 0.06,  0.13,  0.08)
177:     bond    (-16.280,  -4.390,   5.193)  (-16.262,  -4.372,   5.211)  ( 0.11,  0.42,  0.35)
177:     angle   ( 40.624,  -7.126, -26.096)  ( 40.633,  -7.117, -26.088)  ( 0.02,  0.12,  0.03)
177:     torsion (  3.611,   0.746,  -2.747)  (  3.611,   0.746,  -2.747)  ( 0.01,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.431, -10.560,  -9.544)  ( 19.431, -10.560,  -9.543)  ( 0.00,  0.00,  0.00)
177:     electro (  0.215,  -0.181,  -0.055)  (  0.215,  -0.181,  -0.055)  ( 0.00,  0.00,  0.00)
177: 26       (  5.897,  17.008,  -6.176)  (  5.900,  17.013,  -6.164)  ( 0.06,  0.03,  0.19)
177:     bond    ( -2.112,   4.629, -11.095)  ( -2.112,   4.631, -11.083)  ( 0.02,  0.04,  0.10)
177:     angle   (-11.054,  -0.117,   2.057)  (-11.051,  -0.115,   2.058)  ( 0.02,  0.02,  0.02)
177:     torsion ( -0.718,   1.139,   0.613)  ( -0.718,   1.140,   0.613)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.610,  13.361,   1.940)  ( 19.610,  13.361,   1.940)  ( 0.00,  0.00,  0.00)
177:     electro (  0.171,  -2.004,   0.309)  (  0.171,  -2.004,   0.309)  ( 0.00,  0.00,  0.00)
177: 27       (-46.185, -30.348, -10.099)  (-46.161, -30.324, -10.085)  ( 0.05,  0.08,  0.13)
177:     bond    ( -9.157,  -5.246, -10.804)  ( -9.139,  -5.228, -10.797)  ( 0.20,  0.34,  0.06)
177:     angle   (-45.617, -31.019,  -1.758)  (-45.611, -31.014,  -1.751)  ( 0.01,  0.02,  0.35)
177:     torsion ( -5.884,  -3.666,  -0.502)  ( -5.884,  -3.666,  -0.501)  ( 0.00,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.543,   7.362,   1.613)  ( 12.543,   7.362,   1.613)  ( 0.00,  0.00,  0.00)
177:     electro (  1.930,   2.221,   1.352)  (  1.930,   2.221,   1.352)  ( 0.00,  0.00,  0.00)
177: 28       ( -0.909, -12.252,   5.767)  ( -0.906, -12.248,   5.779)  ( 0.28,  0.03,  0.21)
177:     bond    (  1.926,  -4.995,  11.194)  (  1.926,  -4.992,  11.206)  ( 0.02,  0.05,  0.10)
177:     angle   ( -0.582,  -7.258,  -3.133)  ( -0.579,  -7.256,  -3.133)  ( 0.15,  0.02,  0.01)
177:     torsion ( -0.574,  -4.249,  -1.795)  ( -0.574,  -4.249,  -1.795)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.864,   3.876,  -0.368)  ( -0.864,   3.876,  -0.368)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.815,   0.373,  -0.131)  ( -0.815,   0.373,  -0.131)  ( 0.00,  0.00,  0.00)
177: 29       ( -1.215,  -6.423,  -1.688)  ( -1.213,  -6.414,  -1.680)  ( 0.23,  0.14,  0.43)
177:     bond    ( -0.358,  -5.027,  -4.340)  ( -0.358,  -5.019,  -4.334)  ( 0.00,  0.16,  0.14)
177:     angle   ( -0.867,  -3.780,   4.445)  ( -0.864,  -3.779,   4.447)  ( 0.23,  0.02,  0.03)
177:     torsion (  0.009,   1.724,  -1.997)  (  0.009,   1.724,  -1.997)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.354,   0.043,  -0.205)  (  0.354,   0.043,  -0.205)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.353,   0.616,   0.409)  ( -0.353,   0.616,   0.409)  ( 0.00,  0.00,  0.00)
177: 30       ( -6.845,   0.913,   1.976)  ( -6.834,   0.918,   1.978)  ( 0.16,  0.52,  0.12)
177:     bond    ( -5.928,   3.515,  -0.385)  ( -5.918,   3.519,  -0.385)  ( 0.17,  0.10,  0.00)
177:     angle   ( -1.889,  -2.662,   4.706)  ( -1.888,  -2.660,   4.708)  ( 0.03,  0.07,  0.05)
177:     torsion (  0.545,   0.691,  -2.056)  (  0.545,   0.691,  -2.056)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.142,   0.376,  -0.048)  (  0.142,   0.376,  -0.048)  ( 0.00,  0.00,  0.00)
177:     electro (  0.286,  -1.007,  -0.241)  (  0.286,  -1.007,  -0.241)  ( 0.00,  0.00,  0.00)
177: 31       ( -8.087,  -2.126,  10.829)  ( -8.084,  -2.122,  10.842)  ( 0.03,  0.18,  0.12)
177:     bond    (  1.295,  -3.749,  11.836)  (  1.296,  -3.748,  11.849)  ( 0.02,  0.04,  0.11)
177:     angle   ( -7.992,   2.748,   1.743)  ( -7.990,   2.750,   1.744)  ( 0.03,  0.08,  0.01)
177:     torsion ( -3.829,   1.331,   0.840)  ( -3.829,   1.331,   0.840)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.640,  -1.381,  -2.928)  (  2.640,  -1.381,  -2.928)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.202,  -1.073,  -0.663)  ( -0.202,  -1.073,  -0.663)  ( 0.00,  0.00,  0.00)
177: 32       (  3.782,  -2.362,  12.697)  (  3.792,  -2.354,  12.701)  ( 0.25,  0.34,  0.03)
177:     bond    ( -2.410,  -2.075,   1.208)  ( -2.402,  -2.069,   1.210)  ( 0.34,  0.30,  0.17)
177:     angle   (  2.377,   0.318,   5.268)  (  2.378,   0.320,   5.269)  ( 0.04,  0.06,  0.02)
177:     torsion (  3.459,  -0.401,   6.184)  (  3.460,  -0.401,   6.184)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.196,  -0.114,  -0.019)  ( -0.196,  -0.114,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.552,  -0.089,   0.057)  (  0.552,  -0.089,   0.057)  ( 0.00,  0.00,  0.00)
177: 33       ( 14.707,  15.392,  24.561)  ( 14.712,  15.418,  24.561)  ( 0.03,  0.17,  0.00)
177:     bond    (  2.460,  14.832,  -0.289)  (  2.461,  14.859,  -0.288)  ( 0.03,  0.18,  0.00)
177:     angle   ( 44.102,  -7.196,   5.657)  ( 44.106,  -7.196,   5.657)  ( 0.01,  0.00,  0.00)
177:     torsion ( -3.348,   1.119,  29.067)  ( -3.348,   1.119,  29.067)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.195,  -1.613,  -5.003)  (-13.195,  -1.613,  -5.003)  ( 0.00,  0.00,  0.00)
177:     electro (-15.312,   8.249,  -4.872)  (-15.312,   8.249,  -4.872)  ( 0.00,  0.00,  0.00)
177: 34       ( 90.156, -169.662,   6.911)  ( 90.180, -169.641,   6.913)  ( 0.03,  0.01,  0.03)
177:     bond    (113.119, -119.745,  19.428)  (113.140, -119.731,  19.429)  ( 0.02,  0.01,  0.01)
177:     angle   ( 20.434, -27.807,   4.485)  ( 20.435, -27.801,   4.485)  ( 0.01,  0.02,  0.01)
177:     torsion (  2.332,  -0.887, -19.412)  (  2.332,  -0.887, -19.411)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-42.736, -28.761,   6.436)  (-42.735, -28.761,   6.436)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.992,   7.539,  -4.026)  ( -2.992,   7.539,  -4.026)  ( 0.00,  0.00,  0.00)
177: 35       (  2.054,  31.026,  -2.404)  (  2.065,  31.033,  -2.403)  ( 0.51,  0.02,  0.03)
177:     bond    ( 17.628,  13.996,   1.112)  ( 17.637,  14.002,   1.112)  ( 0.05,  0.04,  0.01)
177:     angle   (-21.183,  26.990,  -3.906)  (-21.182,  26.991,  -3.906)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.171,  -0.091,  -1.558)  (  0.171,  -0.091,  -1.558)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro (  5.438,  -9.868,   1.948)  (  5.438,  -9.868,   1.948)  ( 0.00,  0.00,  0.00)
177: 36       ( 19.874,  -0.962, -15.567)  ( 19.910,  -0.941, -15.541)  ( 0.18,  2.01,  0.17)
177:     bond    ( 20.777, -25.063, -11.073)  ( 20.805, -25.050, -11.056)  ( 0.13,  0.05,  0.15)
177:     angle   (  2.785,  15.055,  -3.975)  (  2.794,  15.063,  -3.965)  ( 0.31,  0.06,  0.25)
177:     torsion ( -5.968,   1.304,  -1.007)  ( -5.968,   1.303,  -1.007)  ( 0.00,  0.03,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.063,   8.544,   0.466)  (  2.063,   8.544,   0.466)  ( 0.00,  0.00,  0.00)
177:     electro (  0.216,  -0.802,   0.022)  (  0.216,  -0.802,   0.022)  ( 0.00,  0.00,  0.00)
177: 37       ( -5.930,  -4.258, -25.737)  ( -5.904,  -4.232, -25.705)  ( 0.43,  0.61,  0.13)
177:     bond    ( -2.461, -26.438, -16.460)  ( -2.444, -26.421, -16.438)  ( 0.72,  0.07,  0.13)
177:     angle   ( -1.129,  12.699, -13.147)  ( -1.122,  12.708, -13.137)  ( 0.68,  0.07,  0.08)
177:     torsion (  4.307,   3.398,   2.906)  (  4.307,   3.398,   2.906)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.798,   6.828,   1.015)  ( -6.798,   6.828,   1.015)  ( 0.00,  0.00,  0.00)
177:     electro (  0.152,  -0.745,  -0.051)  (  0.152,  -0.745,  -0.051)  ( 0.00,  0.00,  0.00)
177: 38       (  1.190,   5.045,  -6.234)  (  1.194,   5.051,  -6.225)  ( 0.39,  0.12,  0.13)
177:     bond    ( -2.309,   4.051,  -4.780)  ( -2.307,   4.057,  -4.773)  ( 0.07,  0.13,  0.15)
177:     angle   (  1.551,   1.029,   0.123)  (  1.554,   1.029,   0.124)  ( 0.19,  0.07,  0.01)
177:     torsion (  3.107,  -0.067,  -1.559)  (  3.106,  -0.067,  -1.559)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.931,  -0.156,   0.009)  ( -0.931,  -0.156,   0.009)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.227,   0.189,  -0.027)  ( -0.227,   0.189,  -0.027)  ( 0.00,  0.00,  0.00)
177: 39       ( -2.417,  -7.673,   6.179)  ( -2.408,  -7.670,   6.186)  ( 0.35,  0.04,  0.13)
177:     bond    ( -4.552,  -1.713,   4.541)  ( -4.546,  -1.712,   4.548)  ( 0.15,  0.05,  0.15)
177:     angle   (  1.497,  -7.841,  -1.454)  (  1.498,  -7.839,  -1.453)  ( 0.12,  0.02,  0.08)
177:     torsion (  2.759,  -1.370,   2.242)  (  2.759,  -1.370,   2.242)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.001,   3.070,   0.732)  ( -2.001,   3.070,   0.732)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.119,   0.181,   0.117)  ( -0.119,   0.181,   0.117)  ( 0.00,  0.00,  0.00)
177: 40       (  2.495,   5.396,  -5.771)  (  2.500,   5.404,  -5.765)  ( 0.21,  0.15,  0.09)
177:     bond    (  3.908,   5.356,  -3.020)  (  3.913,   5.364,  -3.017)  ( 0.11,  0.15,  0.08)
177:     angle   ( -1.013,   0.507,  -0.412)  ( -1.012,   0.508,  -0.409)  ( 0.12,  0.03,  0.12)
177:     torsion ( -1.277,  -0.746,  -2.982)  ( -1.277,  -0.746,  -2.982)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.905,   0.007,   0.589)  (  0.905,   0.007,   0.589)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.029,   0.272,   0.054)  ( -0.029,   0.272,   0.054)  ( 0.00,  0.00,  0.00)
177: 41       ( -0.002,  -4.405,   6.787)  (  0.000,  -4.402,   6.801)  ( 0.00,  0.06,  0.20)
177:     bond    (  1.119,  -0.900,   5.841)  (  1.120,  -0.900,   5.855)  ( 0.04,  0.03,  0.23)
177:     angle   (  0.861,  -2.684,  -0.577)  (  0.863,  -2.682,  -0.577)  ( 0.19,  0.09,  0.00)
177:     torsion ( -2.950,  -2.613,   0.162)  ( -2.950,  -2.613,   0.162)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.125,   1.757,   1.262)  (  1.125,   1.757,   1.262)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.157,   0.035,   0.098)  ( -0.157,   0.035,   0.098)  ( 0.00,  0.00,  0.00)
177: 42       (  8.231, -46.377,   3.047)  (  8.233, -46.373,   3.061)  ( 0.03,  0.01,  0.43)
177:     bond    ( -1.187,  -0.100,   3.673)  ( -1.186,  -0.100,   3.686)  ( 0.12,  0.00,  0.36)
177:     angle   (  9.928, -50.673,   1.815)  (  9.929, -50.669,   1.815)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.764,   3.743,  -0.144)  ( -0.764,   3.743,  -0.144)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.037,  -0.220,  -0.845)  (  0.037,  -0.220,  -0.844)  ( 0.00,  0.00,  0.00)
177:     electro (  0.217,   0.873,  -1.452)  (  0.217,   0.873,  -1.452)  ( 0.00,  0.00,  0.00)
177: ok 24 # gradients 
177: ok 25 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( 15.644, 125.382,   8.490)  ( 15.677, 125.410,   8.493)  ( 0.22,  0.02,  0.04)
177:     bond    ( 17.373,  73.022,   6.267)  ( 17.401,  73.042,   6.267)  ( 0.16,  0.03,  0.01)
177:     angle   ( -2.709,  52.504,   2.697)  ( -2.703,  52.513,   2.697)  ( 0.24,  0.02,  0.00)
177:     torsion (  0.078,   0.026,  -0.588)  (  0.078,   0.026,  -0.585)  ( 0.00,  0.00,  0.19)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.913,  -0.143,   0.026)  (  0.913,  -0.143,   0.026)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.012,  -0.028,   0.089)  ( -0.012,  -0.028,   0.089)  ( 0.00,  0.00,  0.00)
177:  2       (  3.413,   2.349,   0.643)  (  3.448,   2.385,   0.649)  ( 1.02,  1.53,  0.40)
177:     bond    (-27.832, -25.792,  -4.889)  (-27.806, -25.765,  -4.889)  ( 0.09,  0.10,  0.01)
177:     angle   ( 31.946,  28.998,   6.175)  ( 31.954,  29.007,   6.174)  ( 0.03,  0.03,  0.00)
177:     torsion (  0.090,   0.043,  -0.861)  (  0.090,   0.043,  -0.855)  ( 0.00,  0.00,  0.50)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.935,  -0.767,  -0.059)  ( -0.935,  -0.767,  -0.059)  ( 0.01,  0.00,  0.00)
177:     electro (  0.144,  -0.132,   0.277)  (  0.144,  -0.132,   0.277)  ( 0.00,  0.00,  0.00)
177:  3       (-60.076, -124.122, -11.442)  (-60.041, -124.085, -11.437)  ( 0.06,  0.03,  0.05)
177:     bond    ( -2.236, -32.032,  -2.221)  ( -2.211, -32.005,  -2.221)  ( 1.13,  0.08,  0.03)
177:     angle   (-35.495, -109.358, -13.161)  (-35.486, -109.349, -13.161)  ( 0.03,  0.01,  0.00)
177:     torsion ( -0.728,  -0.150,   6.625)  ( -0.728,  -0.150,   6.629)  ( 0.01,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-21.763,  17.707,  -2.867)  (-21.763,  17.708,  -2.867)  ( 0.00,  0.00,  0.00)
177:     electro (  0.146,  -0.289,   0.182)  (  0.146,  -0.289,   0.182)  ( 0.00,  0.00,  0.00)
177:  4       ( 69.645,  38.599,  20.809)  ( 69.675,  38.633,  20.812)  ( 0.04,  0.09,  0.02)
177:     bond    ( 80.610,  67.321,  13.988)  ( 80.629,  67.349,  13.988)  ( 0.02,  0.04,  0.00)
177:     angle   ( 13.985, -19.121,  10.319)  ( 13.995, -19.114,  10.320)  ( 0.07,  0.04,  0.01)
177:     torsion ( -0.030,  -0.023,  -5.570)  ( -0.030,  -0.023,  -5.568)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-24.861,  -9.584,   2.033)  (-24.861,  -9.584,   2.033)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.058,   0.005,   0.038)  ( -0.058,   0.005,   0.038)  ( 0.00,  0.00,  0.00)
177:  5       (-65.626,  46.637,  -7.647)  (-65.598,  46.667,  -7.621)  ( 0.04,  0.06,  0.35)
177:     bond    ( 38.092, -28.282,  -8.383)  ( 38.111, -28.263,  -8.364)  ( 0.05,  0.07,  0.22)
177:     angle   (-83.340,  67.151,  -0.747)  (-83.331,  67.161,  -0.740)  ( 0.01,  0.02,  0.49)
177:     torsion ( -0.408,   0.323,  -5.983)  ( -0.408,   0.323,  -5.982)  ( 0.01,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-20.691,   6.854,   8.178)  (-20.690,   6.854,   8.178)  ( 0.00,  0.01,  0.00)
177:     electro (  0.721,   0.593,  -0.712)  (  0.721,   0.593,  -0.712)  ( 0.00,  0.00,  0.00)
177:  6       (-84.995, -79.051, -15.103)  (-84.981, -79.036, -15.103)  ( 0.02,  0.02,  0.00)
177:     bond    (-74.810, -76.213, -12.570)  (-74.799, -76.202, -12.571)  ( 0.02,  0.01,  0.00)
177:     angle   ( -9.506,  -4.523,  -1.871)  ( -9.504,  -4.519,  -1.871)  ( 0.02,  0.07,  0.00)
177:     torsion (  0.115,   0.059,  -0.989)  (  0.115,   0.059,  -0.989)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.736,   1.636,  -0.101)  ( -0.735,   1.636,  -0.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.058,  -0.011,   0.428)  ( -0.058,  -0.011,   0.428)  ( 0.00,  0.00,  0.00)
177:  7       ( 40.249,  17.933,  48.945)  ( 40.274,  17.958,  48.958)  ( 0.06,  0.14,  0.03)
177:     bond    ( 40.914,  20.980,  56.184)  ( 40.932,  20.998,  56.189)  ( 0.04,  0.09,  0.01)
177:     angle   (-15.006,  10.514, -13.322)  (-14.999,  10.520, -13.316)  ( 0.04,  0.06,  0.05)
177:     torsion (  2.866,  -3.976,  -5.494)  (  2.866,  -3.976,  -5.493)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 16.577,  -2.819,  10.063)  ( 16.578,  -2.819,  10.063)  ( 0.00,  0.01,  0.00)
177:     electro ( -5.103,  -6.765,   1.515)  ( -5.103,  -6.765,   1.515)  ( 0.00,  0.00,  0.00)
177:  8       ( 12.564,  -6.466,   0.379)  ( 12.567,  -6.454,   0.384)  ( 0.02,  0.18,  0.18)
177:     bond    ( -0.079,  -3.442,   1.689)  ( -0.079,  -3.431,   1.692)  ( 0.00,  0.33,  0.16)
177:     angle   ( 28.794,  -4.274,  -7.318)  ( 28.796,  -4.274,  -7.316)  ( 0.01,  0.01,  0.03)
177:     torsion (  0.796,   0.380,   0.808)  (  0.796,   0.380,   0.808)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.254,   0.282,   7.059)  (-17.253,   0.282,   7.059)  ( 0.00,  0.00,  0.00)
177:     electro (  0.307,   0.588,  -1.858)  (  0.307,   0.588,  -1.858)  ( 0.00,  0.00,  0.00)
177:  9       ( 11.619,  -5.680, -13.501)  ( 11.622,  -5.677, -13.487)  ( 0.03,  0.05,  0.10)
177:     bond    ( -2.283,  -2.038, -14.456)  ( -2.282,  -2.038, -14.442)  ( 0.02,  0.02,  0.09)
177:     angle   ( 19.832,  -7.343,  -2.099)  ( 19.834,  -7.341,  -2.099)  ( 0.01,  0.03,  0.00)
177:     torsion ( -0.663,  -0.886,   0.230)  ( -0.663,  -0.885,   0.230)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.080,   3.773,   2.609)  ( -4.080,   3.773,   2.609)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.186,   0.814,   0.214)  ( -1.186,   0.814,   0.214)  ( 0.00,  0.00,  0.00)
177: 10       ( 23.620, -63.059,  12.308)  ( 23.648, -63.031,  12.335)  ( 0.12,  0.04,  0.22)
177:     bond    (-19.896,  28.244, -15.298)  (-19.878,  28.263, -15.280)  ( 0.09,  0.07,  0.12)
177:     angle   ( 31.272, -66.499,  22.060)  ( 31.282, -66.490,  22.068)  ( 0.03,  0.01,  0.03)
177:     torsion (  1.847,  -0.313,   1.869)  (  1.847,  -0.313,   1.869)  ( 0.02,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 10.372, -24.536,   3.728)  ( 10.372, -24.536,   3.728)  ( 0.01,  0.00,  0.00)
177:     electro (  0.025,   0.045,  -0.052)  (  0.025,   0.045,  -0.052)  ( 0.00,  0.00,  0.00)
177: 11       ( 41.115,  31.887,  -3.911)  ( 41.142,  31.915,  -3.885)  ( 0.07,  0.09,  0.66)
177:     bond    ( 43.968, -11.102,   3.079)  ( 43.986, -11.083,   3.097)  ( 0.04,  0.17,  0.60)
177:     angle   ( -1.014,  54.715, -13.618)  ( -1.005,  54.724, -13.611)  ( 0.92,  0.02,  0.05)
177:     torsion ( -1.031,  -0.193,   8.022)  ( -1.031,  -0.193,   8.023)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.822, -11.659,  -1.434)  ( -0.822, -11.658,  -1.434)  ( 0.00,  0.00,  0.00)
177:     electro (  0.014,   0.126,   0.040)  (  0.014,   0.126,   0.040)  ( 0.00,  0.00,  0.00)
177: 12       (  3.568,  15.659,  -4.221)  (  3.576,  15.666,  -4.218)  ( 0.25,  0.05,  0.08)
177:     bond    ( -4.418,   3.835,   1.873)  ( -4.410,   3.841,   1.875)  ( 0.16,  0.14,  0.07)
177:     angle   ( 15.924,  23.570, -10.828)  ( 15.925,  23.571, -10.826)  ( 0.01,  0.01,  0.02)
177:     torsion ( -1.226,  -2.564,   2.369)  ( -1.226,  -2.564,   2.369)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.828,  -8.424,   2.591)  ( -6.828,  -8.423,   2.591)  ( 0.00,  0.00,  0.00)
177:     electro (  0.116,  -0.758,  -0.227)  (  0.116,  -0.758,  -0.227)  ( 0.00,  0.00,  0.00)
177: 13       ( -7.792,   7.327, -12.878)  ( -7.790,   7.330, -12.864)  ( 0.03,  0.04,  0.11)
177:     bond    ( -1.370,  -1.218, -16.275)  ( -1.370,  -1.218, -16.261)  ( 0.01,  0.01,  0.09)
177:     angle   ( -7.318,  10.209,  -0.149)  ( -7.316,  10.212,  -0.149)  ( 0.03,  0.02,  0.00)
177:     torsion ( -1.000,   4.473,  -0.251)  ( -1.000,   4.473,  -0.251)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.157,  -5.003,   3.406)  (  2.157,  -5.003,   3.406)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.261,  -1.134,   0.390)  ( -0.261,  -1.134,   0.390)  ( 0.00,  0.00,  0.00)
177: 14       (  1.114,   2.225,  12.550)  (  1.117,   2.229,  12.563)  ( 0.24,  0.19,  0.10)
177:     bond    ( -0.918,   5.582,  12.387)  ( -0.918,   5.584,  12.399)  ( 0.01,  0.04,  0.09)
177:     angle   (  4.322,  -6.752,   3.360)  (  4.325,  -6.750,   3.361)  ( 0.06,  0.03,  0.01)
177:     torsion ( -1.605,   4.216,  -2.018)  ( -1.605,   4.216,  -2.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.450,  -1.094,  -1.045)  ( -0.449,  -1.094,  -1.045)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.235,   0.273,  -0.135)  ( -0.235,   0.273,  -0.135)  ( 0.00,  0.00,  0.00)
177: 15       (  0.602,   4.550, -10.731)  (  0.605,   4.559, -10.723)  ( 0.18,  0.19,  0.07)
177:     bond    (  2.067,   8.217,  -7.378)  (  2.068,   8.225,  -7.372)  ( 0.03,  0.09,  0.08)
177:     angle   ( -3.740,   0.483,  -0.510)  ( -3.737,   0.484,  -0.509)  ( 0.06,  0.05,  0.06)
177:     torsion (  2.245,  -3.016,  -2.735)  (  2.245,  -3.016,  -2.735)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.402,  -1.119,   0.139)  (  0.402,  -1.119,   0.139)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.373,  -0.015,  -0.247)  ( -0.373,  -0.015,  -0.247)  ( 0.00,  0.00,  0.00)
177: 16       (-12.334, -24.086,  -1.982)  (-12.320, -24.082,  -1.981)  ( 0.11,  0.02,  0.05)
177:     bond    ( -5.657,   1.477,  -0.634)  ( -5.643,   1.478,  -0.634)  ( 0.24,  0.06,  0.01)
177:     angle   ( -6.330, -25.114,  -2.201)  ( -6.330, -25.111,  -2.201)  ( 0.00,  0.01,  0.00)
177:     torsion ( -0.132,  -0.056,   1.045)  ( -0.132,  -0.056,   1.045)  ( 0.00,  0.00,  0.09)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.071,  -0.141,  -0.005)  (  0.072,  -0.141,  -0.005)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.286,  -0.251,  -0.186)  ( -0.286,  -0.251,  -0.186)  ( 0.00,  0.00,  0.00)
177: 17       ( 17.663,   7.046,   3.608)  ( 17.667,   7.061,   3.610)  ( 0.02,  0.21,  0.04)
177:     bond    ( -0.471,   5.579,   0.247)  ( -0.471,   5.593,   0.247)  ( 0.00,  0.26,  0.00)
177:     angle   ( 18.656,   1.475,   2.171)  ( 18.659,   1.475,   2.171)  ( 0.02,  0.00,  0.00)
177:     torsion ( -0.179,  -0.085,   1.574)  ( -0.178,  -0.085,   1.575)  ( 0.00,  0.00,  0.10)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.455,   0.245,  -0.061)  ( -0.455,   0.245,  -0.061)  ( 0.00,  0.00,  0.00)
177:     electro (  0.112,  -0.167,  -0.323)  (  0.112,  -0.167,  -0.323)  ( 0.00,  0.00,  0.00)
177: 18       (-13.242,  87.357, -29.874)  (-13.213,  87.386, -29.846)  ( 0.22,  0.03,  0.09)
177:     bond    (-34.100,  60.048, -72.323)  (-34.081,  60.067, -72.305)  ( 0.06,  0.03,  0.03)
177:     angle   ( 20.407,  22.661,  45.180)  ( 20.415,  22.670,  45.189)  ( 0.04,  0.04,  0.02)
177:     torsion ( -1.100,  -1.323,   1.620)  ( -1.100,  -1.322,   1.620)  ( 0.03,  0.05,  0.02)
177:     oop     (  0.091,   0.116,   0.000)  (  0.091,   0.116,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.333,   7.454,  -6.595)  ( -0.332,   7.454,  -6.594)  ( 0.01,  0.00,  0.00)
177:     electro (  1.794,  -1.599,   2.243)  (  1.794,  -1.599,   2.243)  ( 0.00,  0.00,  0.00)
177: 19       ( 29.669, -31.984, -46.828)  ( 29.694, -31.966, -46.791)  ( 0.09,  0.06,  0.08)
177:     bond    ( 26.636, -22.059, -27.238)  ( 26.652, -22.049, -27.209)  ( 0.06,  0.05,  0.11)
177:     angle   (  5.202, -28.237, -23.056)  (  5.209, -28.232, -23.047)  ( 0.13,  0.02,  0.04)
177:     torsion ( -1.939,  -2.164,  -0.218)  ( -1.937,  -2.161,  -0.218)  ( 0.09,  0.13,  0.00)
177:     oop     ( -0.059,  -0.068,   0.005)  ( -0.058,  -0.068,   0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.171,  20.586,   3.668)  ( -0.170,  20.586,   3.668)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.001,  -0.042,   0.010)  ( -0.001,  -0.042,   0.010)  ( 0.00,  0.00,  0.00)
177: 20       ( -0.167, -60.187,   5.067)  ( -0.150, -60.151,   5.095)  ( 0.28,  0.06,  0.56)
177:     bond    (-13.335, -59.208,  11.009)  (-13.323, -59.181,  11.030)  ( 0.09,  0.05,  0.19)
177:     angle   (-17.127,  -8.764, -10.876)  (-17.123,  -8.755, -10.870)  ( 0.02,  0.10,  0.06)
177:     torsion (  0.375,  -0.371,  -0.858)  (  0.375,  -0.371,  -0.858)  ( 0.02,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 22.586,   9.292,   2.173)  ( 22.587,   9.293,   2.173)  ( 0.00,  0.00,  0.01)
177:     electro (  7.334,  -1.138,   3.619)  (  7.334,  -1.138,   3.619)  ( 0.00,  0.00,  0.00)
177: 21       (  4.402,  -4.198, -11.567)  (  4.405,  -4.195, -11.553)  ( 0.07,  0.07,  0.12)
177:     bond    ( -0.975,  -1.277,  -9.190)  ( -0.975,  -1.276,  -9.176)  ( 0.02,  0.02,  0.15)
177:     angle   ( 11.082, -14.956,   0.902)  ( 11.085, -14.954,   0.903)  ( 0.02,  0.02,  0.01)
177:     torsion ( -0.864,  -1.105,   0.245)  ( -0.864,  -1.104,   0.245)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.242,  11.589,  -2.591)  ( -7.242,  11.589,  -2.591)  ( 0.01,  0.00,  0.00)
177:     electro (  2.400,   1.551,  -0.934)  (  2.400,   1.551,  -0.934)  ( 0.00,  0.00,  0.00)
177: 22       ( -5.881,   3.913,  18.792)  ( -5.855,   3.931,  18.829)  ( 0.44,  0.45,  0.20)
177:     bond    ( 14.134,  -9.305,  74.126)  ( 14.151,  -9.296,  74.154)  ( 0.12,  0.11,  0.04)
177:     angle   (-12.973,   9.627, -31.669)  (-12.967,   9.631, -31.661)  ( 0.05,  0.04,  0.03)
177:     torsion (  1.582,   1.882,   0.008)  (  1.584,   1.886,   0.008)  ( 0.12,  0.20,  0.00)
177:     oop     (  0.113,   0.142,   0.000)  (  0.113,   0.142,   0.000)  ( 0.00,  0.01,  0.00)
177:     vdw     (-10.457,   3.861, -23.405)  (-10.457,   3.861, -23.404)  ( 0.00,  0.01,  0.00)
177:     electro (  1.720,  -2.294,  -0.268)  (  1.720,  -2.294,  -0.268)  ( 0.00,  0.00,  0.00)
177: 23       (-13.869,   8.487,  10.338)  (-13.842,   8.506,  10.373)  ( 0.19,  0.21,  0.34)
177:     bond    (-21.743,  16.102,  21.542)  (-21.724,  16.113,  21.567)  ( 0.09,  0.07,  0.11)
177:     angle   (  6.141,  -4.220,  14.969)  (  6.146,  -4.217,  14.978)  ( 0.08,  0.07,  0.06)
177:     torsion ( -0.978,  -1.333,   0.050)  ( -0.976,  -1.329,   0.050)  ( 0.20,  0.28,  0.00)
177:     oop     ( -0.037,  -0.048,  -0.000)  ( -0.037,  -0.048,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.075,  -1.504, -26.495)  (  2.075,  -1.504, -26.494)  ( 0.00,  0.00,  0.00)
177:     electro (  0.673,  -0.510,   0.273)  (  0.673,  -0.510,   0.273)  ( 0.00,  0.00,  0.00)
177: 24       ( -2.882,   2.485,   6.856)  ( -2.857,   2.502,   6.893)  ( 0.86,  0.69,  0.55)
177:     bond    ( -9.995,   7.266,  14.600)  ( -9.979,   7.275,  14.630)  ( 0.16,  0.13,  0.20)
177:     angle   ( -9.417,   7.281,   0.557)  ( -9.411,   7.285,   0.565)  ( 0.06,  0.05,  0.46)
177:     torsion (  0.613,   0.764,   0.016)  (  0.615,   0.768,   0.016)  ( 0.13,  0.28,  0.00)
177:     oop     ( -0.209,  -0.275,  -0.005)  ( -0.208,  -0.274,  -0.005)  ( 0.01,  0.01,  0.00)
177:     vdw     ( 16.237, -12.583,  -8.371)  ( 16.237, -12.583,  -8.371)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.111,   0.031,   0.058)  ( -0.111,   0.031,   0.058)  ( 0.00,  0.00,  0.00)
177: 25       (-13.655,  11.112,  -5.298)  (-13.630,  11.129,  -5.261)  ( 0.18,  0.16,  0.70)
177:     bond    (-36.528,  28.512,   0.130)  (-36.511,  28.523,   0.158)  ( 0.05,  0.04,  0.36)
177:     angle   (  5.526,  -3.478, -23.723)  (  5.531,  -3.475, -23.714)  ( 0.10,  0.10,  0.04)
177:     torsion ( -0.331,  -0.396,   0.008)  ( -0.329,  -0.392,   0.008)  ( 0.07,  0.14,  0.00)
177:     oop     (  0.226,   0.291,   0.007)  (  0.227,   0.292,   0.007)  ( 0.01,  0.01,  0.00)
177:     vdw     ( 17.509, -13.776,  18.233)  ( 17.510, -13.776,  18.233)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.058,  -0.042,   0.047)  ( -0.058,  -0.042,   0.047)  ( 0.00,  0.00,  0.00)
177: 26       ( 11.326, -10.841, -10.424)  ( 11.351, -10.824, -10.389)  ( 0.22,  0.16,  0.33)
177:     bond    (-10.517,   8.981, -69.682)  (-10.498,   8.993, -69.658)  ( 0.18,  0.13,  0.03)
177:     angle   ( 24.194, -18.411,  33.216)  ( 24.197, -18.409,  33.227)  ( 0.01,  0.01,  0.03)
177:     torsion ( -2.207,  -3.030,  -0.271)  ( -2.206,  -3.027,  -0.271)  ( 0.08,  0.09,  0.00)
177:     oop     ( -0.486,  -0.621,  -0.019)  ( -0.485,  -0.620,  -0.019)  ( 0.01,  0.02,  0.00)
177:     vdw     (  0.550,   1.323,  26.631)  (  0.550,   1.323,  26.631)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.207,   0.917,  -0.300)  ( -0.207,   0.917,  -0.300)  ( 0.00,  0.00,  0.00)
177: 27       (  2.749,   1.070,   9.025)  (  2.757,   1.075,   9.033)  ( 0.26,  0.44,  0.09)
177:     bond    (  3.982,  -2.885,   4.072)  (  3.988,  -2.882,   4.078)  ( 0.14,  0.10,  0.14)
177:     angle   ( -7.527,   5.758,  11.429)  ( -7.527,   5.758,  11.431)  ( 0.01,  0.01,  0.02)
177:     torsion (  4.283,   5.791,  -0.095)  (  4.284,   5.792,  -0.095)  ( 0.01,  0.02,  0.00)
177:     oop     (  0.007,   0.010,  -0.000)  (  0.007,   0.010,  -0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.020, -10.163,  -7.420)  (  5.020, -10.163,  -7.420)  ( 0.00,  0.00,  0.00)
177:     electro ( -3.016,   2.559,   1.039)  ( -3.016,   2.559,   1.039)  ( 0.00,  0.00,  0.00)
177: 28       ( -1.597,   3.334,   2.891)  ( -1.590,   3.339,   2.898)  ( 0.44,  0.15,  0.26)
177:     bond    ( -1.478,   1.180,  -1.445)  ( -1.473,   1.184,  -1.440)  ( 0.38,  0.30,  0.37)
177:     angle   ( -3.422,   2.568,   5.608)  ( -3.421,   2.569,   5.610)  ( 0.02,  0.02,  0.04)
177:     torsion (  0.962,   1.225,   0.023)  (  0.962,   1.226,   0.023)  ( 0.05,  0.07,  0.00)
177:     oop     (  0.025,   0.031,   0.001)  (  0.025,   0.031,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.500,  -1.901,  -1.857)  (  2.500,  -1.901,  -1.857)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.183,   0.230,   0.561)  ( -0.183,   0.230,   0.561)  ( 0.00,  0.00,  0.00)
177: 29       ( -8.733,  10.082,  10.040)  ( -8.731,  10.083,  10.053)  ( 0.02,  0.01,  0.14)
177:     bond    (  0.030,  -0.009,  -0.395)  (  0.030,  -0.009,  -0.381)  ( 0.00,  0.00,  0.53)
177:     angle   (-24.364,  18.884,  -2.337)  (-24.363,  18.885,  -2.337)  ( 0.00,  0.00,  0.00)
177:     torsion (  2.811,   3.678,   0.138)  (  2.811,   3.678,   0.138)  ( 0.01,  0.01,  0.00)
177:     oop     (  0.174,   0.219,   0.009)  (  0.174,   0.219,   0.009)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.058, -12.723,  12.965)  ( 13.058, -12.723,  12.965)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.441,   0.033,  -0.340)  ( -0.441,   0.033,  -0.340)  ( 0.00,  0.00,  0.00)
177: 30       ( -0.964,  -2.347,   0.145)  ( -0.961,  -2.344,   0.159)  ( 0.28,  0.10,  0.21)
177:     bond    ( -0.121,   0.081,   1.060)  ( -0.121,   0.082,   1.075)  ( 0.00,  0.00,  1.33)
177:     angle   (  0.934,  -0.710,   0.159)  (  0.936,  -0.709,   0.159)  ( 0.20,  0.09,  0.00)
177:     torsion ( -1.521,  -2.022,  -0.018)  ( -1.520,  -2.021,  -0.018)  ( 0.03,  0.04,  0.00)
177:     oop     (  0.048,   0.063,   0.001)  (  0.048,   0.063,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.034,  -0.007,  -0.386)  (  0.034,  -0.007,  -0.386)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.338,   0.248,  -0.671)  ( -0.338,   0.248,  -0.671)  ( 0.00,  0.00,  0.00)
177: 31       ( -0.226,  -0.578,  -0.060)  ( -0.218,  -0.573,  -0.055)  ( 0.20,  0.33,  0.03)
177:     bond    ( -0.498,   0.367,   0.247)  ( -0.491,   0.372,   0.249)  ( 0.39,  0.17,  0.05)
177:     angle   (  0.007,  -0.017,   0.037)  (  0.008,  -0.017,   0.040)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.479,  -0.623,  -0.015)  ( -0.479,  -0.622,  -0.015)  ( 0.02,  0.05,  0.00)
177:     oop     (  0.104,   0.136,   0.002)  (  0.104,   0.136,   0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.295,  -0.221,  -0.167)  (  0.295,  -0.221,  -0.167)  ( 0.00,  0.00,  0.00)
177:     electro (  0.345,  -0.221,  -0.163)  (  0.345,  -0.221,  -0.163)  ( 0.00,  0.00,  0.00)
177: 32       (-25.368, -58.445,  -4.168)  (-25.360, -58.428,  -4.159)  ( 0.03,  0.03,  0.21)
177:     bond    (-37.897, -54.343, -32.702)  (-37.889, -54.328, -32.697)  ( 0.02,  0.03,  0.02)
177:     angle   ( -0.340,   0.990,  -1.257)  ( -0.340,   0.992,  -1.254)  ( 0.01,  0.15,  0.18)
173: ok 888 # number of heavy atoms match
173: ok 889 # number of heavy atoms match
173: ok 890 # number of heavy atoms match
173: ok 891 # number of heavy atoms match
173: ok 892 # number of heavy atoms match
173: ok 893 # number of heavy atoms match
173: ok 894 # number of heavy atoms match
173: ok 895 # number of heavy atoms match
173: ok 896 # number of heavy atoms match
173: ok 897 # number of heavy atoms match
173: ok 898 # number of heavy atoms match
173: ok 899 # number of heavy atoms match
173: ok 900 # number of heavy atoms match
173: ok 901 # number of heavy atoms match
173: ok 902 # number of heavy atoms match
173: ok 903 # number of heavy atoms match
173: ok 904 # number of heavy atoms match
173: ok 905 # number of heavy atoms match
173: ok 906 # number of heavy atoms match
173: ok 907 # number of heavy atoms match
173: ok 908 # number of heavy atoms match
173: ok 909 # number of heavy atoms match
173: ok 910 # number of heavy atoms match
173: ok 911 # number of heavy atoms match
173: ok 912 # number of heavy atoms match
173: ok 913 # number of heavy atoms match
173: ok 914 # number of heavy atoms match
173: ok 915 # number of heavy atoms match
173: ok 916 # number of heavy atoms match
173: ok 917 # number of heavy atoms match
173: ok 918 # number of heavy atoms match
173: ok 919 # number of heavy atoms match
173: ok 920 # number of heavy atoms match
173: ok 921 # number of heavy atoms match
173: ok 922 # number of heavy atoms match
173: ok 923 # number of heavy atoms match
173: ok 924 # number of heavy atoms match
173: ok 925 # number of heavy atoms match
173: ok 926 # number of heavy atoms match
173: ok 927 # number of heavy atoms match
173: ok 928 # number of heavy atoms match
173: ok 929 # number of heavy atoms match
173: ok 930 # number of heavy atoms match
173: ok 931 # number of heavy atoms match
173: ok 932 # number of heavy atoms match
173: ok 933 # number of heavy atoms match
173: ok 934 # number of heavy atoms match
173: ok 935 # number of heavy atoms match
173: ok 936 # number of heavy atoms match
173: ok 937 # number of heavy atoms match
173: ok 938 # number of heavy atoms match
173: ok 939 # number of heavy atoms match
173: ok 940 # number of heavy atoms match
173: ok 941 # number of heavy atoms match
173: ok 942 # number of heavy atoms match
173: ok 943 # number of heavy atoms match
173: ok 944 # number of heavy atoms match
173: ok 945 # number of heavy atoms match
173: ok 946 # number of heavy atoms match
173: ok 947 # number of heavy atoms match
173: ok 948 # number of heavy atoms match
173: ok 949 # number of heavy atoms match
173: ok 950 # number of heavy atoms match
173: ok 951 # number of heavy atoms match
173: ok 952 # number of heavy atoms match
173: ok 953 # number of heavy atoms match
173: ok 954 # number of heavy atoms match
173: ok 955 # number of heavy atoms match
173: ok 956 # number of heavy atoms match
173: ok 957 # number of heavy atoms match
173: ok 958 # number of heavy atoms match
173: ok 959 # number of heavy atoms match
173: ok 960 # number of heavy atoms match
173: ok 961 # number of heavy atoms match
173: ok 962 # number of heavy atoms match
173: ok 963 # number of heavy atoms match
173: ok 964 # number of heavy atoms match
173: ok 965 # number of heavy atoms match
173: ok 966 # number of heavy atoms match
173: ok 967 # number of heavy atoms match
173: ok 968 # number of heavy atoms match
173: ok 969 # number of heavy atoms match
173: ok 970 # number of heavy atoms match
173: ok 971 # number of heavy atoms match
173: ok 972 # number of heavy atoms match
173: ok 973 # number of heavy atoms match
173: ok 974 # number of heavy atoms match
173: ok 975 # number of heavy atoms match
173: ok 976 # number of heavy atoms match
173: ok 977 # number of heavy atoms match
173: ok 978 # number of heavy atoms match
173: ok 979 # number of heavy atoms match
173: ok 980 # number of heavy atoms match
173: ok 981 # number of heavy atoms match
173: ok 982 # number of heavy atoms match
173: ok 983 # number of heavy atoms match
173: ok 984 # number of heavy atoms match
173: ok 985 # number of heavy atoms match
173: ok 986 # number of heavy atoms match
173: ok 987 # number of heavy atoms match
173: ok 988 # number of heavy atoms match
173: ok 989 # number of heavy atoms match
173: ok 990 # number of heavy atoms match
173: ok 991 # number of heavy atoms match
173: ok 992 # number of heavy atoms match
173: ok 993 # number of heavy atoms match
173: ok 994 # number of heavy atoms match
173: ok 995 # number of heavy atoms match
173: ok 996 # number of heavy atoms match
173: ok 997 # number of heavy atoms match
173: ok 998 # number of heavy atoms match
177:     torsion ( -0.962,   0.342,   0.547)  ( -0.962,   0.342,   0.547)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.496,  -8.517,  36.588)  ( 19.496,  -8.517,  36.589)  ( 0.00,  0.00,  0.00)
177:     electro ( -5.665,   3.083,  -7.343)  ( -5.665,   3.083,  -7.343)  ( 0.00,  0.00,  0.00)
177: 33       ( 51.394,   5.706,  80.344)  ( 51.402,   5.723,  80.362)  ( 0.02,  0.30,  0.02)
177:     bond    ( 38.088, -37.097,  84.704)  ( 38.092, -37.086,  84.720)  ( 0.01,  0.03,  0.02)
177:     angle   ( 10.741,   8.517,  10.383)  ( 10.744,   8.522,  10.385)  ( 0.03,  0.06,  0.02)
177:     torsion ( -4.202,   1.286,   2.601)  ( -4.201,   1.286,   2.601)  ( 0.02,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.730,  29.919, -16.938)  (  7.730,  29.920, -16.938)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.963,   3.081,  -0.405)  ( -0.963,   3.081,  -0.405)  ( 0.00,  0.00,  0.00)
177: 34       (-37.323,  42.276, -81.401)  (-37.296,  42.302, -81.374)  ( 0.07,  0.06,  0.03)
177:     bond    (  0.211,  32.125, -12.515)  (  0.230,  32.142, -12.497)  ( 0.40,  0.06,  0.14)
177:     angle   (-22.919,   5.660, -35.599)  (-22.912,   5.669, -35.591)  ( 0.03,  0.15,  0.02)
177:     torsion (  2.511,  -1.101,  -2.384)  (  2.511,  -1.101,  -2.384)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-17.970,   6.141, -32.380)  (-17.970,   6.141, -32.379)  ( 0.00,  0.00,  0.00)
177:     electro (  0.844,  -0.549,   1.478)  (  0.844,  -0.549,   1.478)  ( 0.00,  0.00,  0.00)
177: 35       (  1.767,   0.470,   1.804)  (  1.772,   0.473,   1.816)  ( 0.28,  0.12,  0.62)
177:     bond    (  1.023,   0.055,   1.841)  (  1.026,   0.055,   1.852)  ( 0.32,  0.00,  0.58)
177:     angle   (  0.771,   0.161,  -0.434)  (  0.773,   0.164,  -0.433)  ( 0.12,  0.04,  0.02)
177:     torsion ( -0.225,   0.060,   0.123)  ( -0.225,   0.060,   0.123)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.081,  -0.268,   0.349)  (  0.081,  -0.268,   0.349)  ( 0.00,  0.00,  0.00)
177:     electro (  0.117,   0.463,  -0.075)  (  0.117,   0.463,  -0.075)  ( 0.00,  0.00,  0.00)
177: 36       (  8.993,  -2.785,   7.348)  (  8.998,  -2.777,   7.354)  ( 0.05,  0.27,  0.09)
177:     bond    (  1.748,  -2.436,  -2.251)  (  1.751,  -2.430,  -2.246)  ( 0.18,  0.24,  0.23)
177:     angle   (  8.379,  -4.308,  11.192)  (  8.381,  -4.306,  11.194)  ( 0.02,  0.03,  0.01)
177:     torsion (  0.616,   0.128,   0.342)  (  0.616,   0.128,   0.342)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.850,   3.192,  -2.499)  ( -2.850,   3.192,  -2.499)  ( 0.00,  0.00,  0.00)
177:     electro (  1.100,   0.638,   0.563)  (  1.100,   0.638,   0.563)  ( 0.00,  0.00,  0.00)
177: 37       (  3.026,  -2.642,  10.074)  (  3.039,  -2.638,  10.077)  ( 0.42,  0.13,  0.03)
177:     bond    ( -2.126,  -0.638,   0.376)  ( -2.114,  -0.637,   0.376)  ( 0.59,  0.07,  0.02)
177:     angle   (  4.279,  -5.791,  14.230)  (  4.279,  -5.789,  14.232)  ( 0.01,  0.04,  0.01)
177:     torsion (  0.003,   0.027,   0.062)  (  0.003,   0.027,   0.062)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.227,   3.093,  -5.770)  (  0.227,   3.093,  -5.770)  ( 0.00,  0.00,  0.00)
177:     electro (  0.644,   0.667,   1.176)  (  0.644,   0.667,   1.176)  ( 0.00,  0.00,  0.00)
177: ok 26 # gradients 
177: ok 27 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (102.152, -13.405,  11.295)  (102.186, -13.368,  11.304)  ( 0.03,  0.27,  0.08)
177:     bond    ( 65.430,  20.212,  18.860)  ( 65.454,  20.239,  18.862)  ( 0.04,  0.13,  0.01)
177:     angle   ( 64.222, -43.610,   6.621)  ( 64.231, -43.601,   6.623)  ( 0.01,  0.02,  0.03)
177:     torsion (  2.285,   1.864,  -9.889)  (  2.285,   1.864,  -9.885)  ( 0.01,  0.01,  0.04)
177:     oop     (  0.189,   0.204,  -0.875)  (  0.189,   0.204,  -0.875)  ( 0.00,  0.00,  0.04)
177:     vdw     (-29.752,   8.101,  -3.444)  (-29.752,   8.101,  -3.444)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.221,  -0.175,   0.022)  ( -0.221,  -0.175,   0.022)  ( 0.00,  0.00,  0.00)
177:  2       (-25.215,  10.780,  89.099)  (-25.178,  10.817,  89.109)  ( 0.15,  0.34,  0.01)
177:     bond    ( 34.767, -49.738,   0.175)  ( 34.796, -49.714,   0.179)  ( 0.08,  0.05,  0.05)
177:     angle   (-51.090,  50.603,  44.964)  (-51.083,  50.614,  44.966)  ( 0.02,  0.02,  0.00)
177:     torsion ( -1.548,  -4.298,  27.297)  ( -1.548,  -4.297,  27.301)  ( 0.01,  0.00,  0.02)
177:     oop     ( -0.242,  -0.222,   0.947)  ( -0.242,  -0.222,   0.947)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -7.740,  18.047,  15.318)  ( -7.740,  18.048,  15.318)  ( 0.00,  0.01,  0.00)
177:     electro (  0.639,  -3.612,   0.399)  (  0.639,  -3.612,   0.399)  ( 0.00,  0.00,  0.00)
177:  3       (-83.042, -36.318, -41.768)  (-83.007, -36.282, -41.759)  ( 0.04,  0.10,  0.02)
177:     bond    (-76.007, -41.054, -29.725)  (-75.982, -41.028, -29.723)  ( 0.03,  0.07,  0.01)
177:     angle   (-38.446, -15.726,  -3.780)  (-38.436, -15.717,  -3.778)  ( 0.02,  0.06,  0.06)
177:     torsion (  5.065,   4.006, -19.830)  (  5.065,   4.006, -19.826)  ( 0.01,  0.00,  0.02)
177:     oop     (  0.501,   0.462,  -1.986)  (  0.501,   0.462,  -1.986)  ( 0.00,  0.00,  0.02)
177:     vdw     ( 25.385,  16.189,  13.419)  ( 25.385,  16.190,  13.419)  ( 0.00,  0.00,  0.00)
177:     electro (  0.460,  -0.195,   0.134)  (  0.460,  -0.195,   0.134)  ( 0.00,  0.00,  0.00)
177:  4       (-42.844, -11.172, -19.259)  (-42.811, -11.135, -19.250)  ( 0.08,  0.33,  0.05)
177:     bond    (-90.014,  22.518, -18.593)  (-89.992,  22.547, -18.589)  ( 0.02,  0.13,  0.02)
177:     angle   ( 16.795, -23.416,  -0.140)  ( 16.805, -23.409,  -0.139)  ( 0.06,  0.03,  0.02)
177:     torsion (  2.668,   4.258,  -3.869)  (  2.669,   4.258,  -3.865)  ( 0.01,  0.01,  0.10)
177:     oop     ( -0.169,  -0.157,   0.678)  ( -0.169,  -0.157,   0.678)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 26.874, -14.207,   2.581)  ( 26.875, -14.207,   2.581)  ( 0.00,  0.00,  0.00)
177:     electro (  1.002,  -0.167,   0.084)  (  1.002,  -0.167,   0.084)  ( 0.00,  0.00,  0.00)
177:  5       ( -1.994,  38.051,  22.985)  ( -1.964,  38.071,  22.992)  ( 1.50,  0.05,  0.03)
177:     bond    ( 11.228,  60.887,  19.043)  ( 11.255,  60.898,  19.046)  ( 0.25,  0.02,  0.02)
177:     angle   ( -4.676,   9.306,   0.092)  ( -4.674,   9.314,   0.093)  ( 0.04,  0.09,  0.00)
177:     torsion ( -3.291,  -3.459,  13.086)  ( -3.290,  -3.459,  13.089)  ( 0.01,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.357, -25.900,  -8.663)  ( -5.357, -25.899,  -8.663)  ( 0.01,  0.00,  0.00)
177:     electro (  0.102,  -2.783,  -0.572)  (  0.102,  -2.783,  -0.572)  ( 0.00,  0.00,  0.00)
177:  6       ( -4.575, -67.943, -17.081)  ( -4.541, -67.907, -17.072)  ( 0.76,  0.05,  0.05)
177:     bond    ( 45.081, -31.332,   3.011)  ( 45.106, -31.304,   3.013)  ( 0.05,  0.09,  0.08)
177:     angle   (-31.327, -14.947,  -9.606)  (-31.318, -14.939,  -9.605)  ( 0.03,  0.05,  0.01)
177:     torsion (  0.284,   0.309,  -0.353)  (  0.285,   0.309,  -0.348)  ( 0.01,  0.01,  0.17)
177:     oop     ( -0.064,  -0.069,   0.294)  ( -0.064,  -0.069,   0.294)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.405, -22.065, -10.583)  (-18.404, -22.064, -10.583)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.145,   0.160,   0.156)  ( -0.145,   0.160,   0.156)  ( 0.00,  0.00,  0.00)
177:  7       ( 36.833, -39.537,  19.970)  ( 36.859, -39.512,  19.992)  ( 0.07,  0.06,  0.11)
177:     bond    ( 32.571, -25.330,  -0.204)  ( 32.588, -25.312,  -0.188)  ( 0.05,  0.07,  0.33)
177:     angle   (  4.414,  -0.479,  25.826)  (  4.421,  -0.472,  25.832)  ( 0.18,  0.32,  0.02)
177:     torsion (  0.416,   2.210,  -1.047)  (  0.417,   2.211,  -1.046)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.704, -15.258,  -4.685)  ( -0.704, -15.258,  -4.685)  ( 0.00,  0.00,  0.00)
177:     electro (  0.137,  -0.680,   0.080)  (  0.137,  -0.680,   0.080)  ( 0.00,  0.00,  0.00)
177:  8       ( 21.971, -40.328, -61.277)  ( 21.978, -40.307, -61.265)  ( 0.03,  0.05,  0.02)
177:     bond    ( -5.929, -10.019,  18.365)  ( -5.928, -10.000,  18.373)  ( 0.02,  0.19,  0.05)
177:     angle   ( 46.107, -45.206, -72.265)  ( 46.112, -45.204, -72.261)  ( 0.01,  0.00,  0.00)
177:     torsion ( -8.013,  -0.359,  -6.006)  ( -8.014,  -0.359,  -6.005)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.589,  14.436,  -2.931)  ( -8.588,  14.436,  -2.931)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.604,   0.820,   1.559)  ( -1.604,   0.820,   1.559)  ( 0.00,  0.00,  0.00)
177:  9       ( -8.675, 118.199, -17.422)  ( -8.650, 118.226, -17.396)  ( 0.29,  0.02,  0.15)
177:     bond    (  8.295,  10.899, -26.302)  (  8.313,  10.916, -26.283)  ( 0.22,  0.16,  0.07)
177:     angle   (-17.304,  94.705,  14.018)  (-17.297,  94.714,  14.026)  ( 0.04,  0.01,  0.06)
177:     torsion (  3.994,  -0.046,   1.165)  (  3.994,  -0.046,   1.165)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.911,  12.378,  -5.954)  ( -3.910,  12.379,  -5.954)  ( 0.00,  0.00,  0.00)
177:     electro (  0.250,   0.263,  -0.349)  (  0.250,   0.263,  -0.349)  ( 0.00,  0.00,  0.00)
177: 10       ( 58.847,  35.904,  35.967)  ( 58.875,  35.931,  35.993)  ( 0.05,  0.08,  0.07)
177:     bond    ( 21.967,  25.002,   8.944)  ( 21.986,  25.020,   8.963)  ( 0.08,  0.07,  0.21)
177:     angle   ( 24.422,   6.592,  14.649)  ( 24.431,   6.601,  14.655)  ( 0.03,  0.13,  0.04)
177:     torsion ( -1.003,  -0.914,   4.217)  ( -1.003,  -0.914,   4.217)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.150,  -0.150,   0.657)  ( -0.150,  -0.150,   0.657)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.392,   5.370,   7.463)  ( 13.393,   5.371,   7.463)  ( 0.00,  0.01,  0.00)
177:     electro (  0.218,   0.004,   0.037)  (  0.218,   0.004,   0.037)  ( 0.00,  0.00,  0.00)
177: 11       (-73.816,  15.491,  -8.358)  (-73.788,  15.518,  -8.332)  ( 0.04,  0.18,  0.31)
177:     bond    (-49.401,  16.876,  -5.239)  (-49.382,  16.894,  -5.220)  ( 0.04,  0.11,  0.36)
177:     angle   (-11.770,   5.854,   2.961)  (-11.762,   5.863,   2.968)  ( 0.07,  0.15,  0.22)
177:     torsion (  0.420,   0.413,  -1.922)  (  0.420,   0.413,  -1.921)  ( 0.00,  0.00,  0.04)
177:     oop     ( -0.065,  -0.067,   0.286)  ( -0.065,  -0.067,   0.286)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.585,  -7.315,  -3.895)  (-12.585,  -7.314,  -3.895)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.415,  -0.270,  -0.549)  ( -0.415,  -0.270,  -0.549)  ( 0.00,  0.00,  0.00)
177: 12       (-206.624, -89.261,  -8.571)  (-206.581, -89.223,  -8.564)  ( 0.02,  0.04,  0.08)
177:     bond    (-70.340,  34.087, -12.502)  (-70.305,  34.112, -12.501)  ( 0.05,  0.07,  0.01)
177:     angle   (-122.367, -156.953,   9.517)  (-122.358, -156.940,   9.516)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.121,   0.153,   0.978)  ( -0.121,   0.154,   0.984)  ( 0.00,  0.00,  0.58)
177:     oop     (  0.003,  -0.005,  -0.029)  (  0.003,  -0.005,  -0.029)  ( 0.00,  0.00,  0.00)
177:     vdw     (-13.551,  32.310,  -6.205)  (-13.551,  32.310,  -6.205)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.249,   1.146,  -0.329)  ( -0.249,   1.146,  -0.329)  ( 0.00,  0.00,  0.00)
177: 13       (-31.232, -39.660,   2.568)  (-31.196, -39.624,   2.575)  ( 0.12,  0.09,  0.29)
177:     bond    ( 14.492, -68.239,  12.073)  ( 14.520, -68.213,  12.074)  ( 0.19,  0.04,  0.01)
177:     angle   (-55.628,  15.059,  -8.063)  (-55.620,  15.068,  -8.063)  ( 0.02,  0.06,  0.00)
177:     torsion (  0.060,  -0.095,  -0.580)  (  0.060,  -0.095,  -0.574)  ( 0.00,  0.00,  0.34)
177:     oop     ( -0.011,   0.016,   0.103)  ( -0.011,   0.016,   0.104)  ( 0.00,  0.00,  0.01)
177:     vdw     ( 10.146,  13.486,  -0.949)  ( 10.146,  13.486,  -0.949)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.291,   0.114,  -0.015)  ( -0.291,   0.114,  -0.015)  ( 0.00,  0.00,  0.00)
177: 14       ( 16.764,  -3.594,   1.930)  ( 16.799,  -3.556,   1.938)  ( 0.21,  1.04,  0.42)
177:     bond    (-72.072, -22.005,  -4.451)  (-72.048, -21.975,  -4.449)  ( 0.03,  0.14,  0.04)
177:     angle   ( 55.376,  21.622,   2.672)  ( 55.386,  21.630,   2.672)  ( 0.02,  0.03,  0.01)
177:     torsion (  0.028,  -0.040,  -0.269)  (  0.028,  -0.040,  -0.263)  ( 0.00,  0.00,  0.15)
177:     oop     (  0.008,  -0.012,  -0.076)  (  0.008,  -0.012,  -0.075)  ( 0.00,  0.00,  0.01)
177:     vdw     ( 33.453,  -3.053,   4.002)  ( 33.454,  -3.053,   4.002)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.029,  -0.106,   0.051)  ( -0.029,  -0.106,   0.051)  ( 0.00,  0.00,  0.00)
177: 15       (  8.467, -15.615,   2.941)  (  8.505, -15.580,   2.949)  ( 0.44,  0.22,  0.27)
177:     bond    ( -2.650,  74.579, -11.566)  ( -2.621,  74.604, -11.565)  ( 1.11,  0.03,  0.01)
177:     angle   ( -2.162, -58.460,   8.600)  ( -2.154, -58.451,   8.601)  ( 0.36,  0.02,  0.00)
177:     torsion (  0.050,  -0.070,  -0.477)  (  0.050,  -0.070,  -0.471)  ( 0.00,  0.00,  0.26)
177:     oop     ( -0.005,   0.008,   0.050)  ( -0.005,   0.008,   0.051)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.804, -31.465,   6.212)  ( 12.805, -31.464,   6.211)  ( 0.00,  0.00,  0.00)
177:     electro (  0.430,  -0.207,   0.121)  (  0.430,  -0.207,   0.121)  ( 0.00,  0.00,  0.00)
177: 16       ( 63.763,  54.797,  -0.993)  ( 63.799,  54.833,  -0.985)  ( 0.06,  0.06,  0.79)
177:     bond    ( 71.764,  10.866,   5.920)  ( 71.791,  10.892,   5.922)  ( 0.04,  0.24,  0.02)
177:     angle   (  1.899,  57.441,  -7.724)  (  1.908,  57.450,  -7.724)  ( 0.47,  0.02,  0.00)
177:     torsion (  0.025,  -0.072,  -0.434)  (  0.025,  -0.072,  -0.428)  ( 0.00,  0.00,  0.26)
177:     oop     ( -0.014,   0.020,   0.131)  ( -0.014,   0.020,   0.131)  ( 0.00,  0.00,  0.01)
177:     vdw     ( -9.891, -13.625,   1.091)  ( -9.891, -13.625,   1.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.021,   0.167,   0.022)  ( -0.021,   0.167,   0.022)  ( 0.00,  0.00,  0.00)
177: 17       (-104.398, 269.781, -48.554)  (-104.358, 269.821, -48.545)  ( 0.04,  0.01,  0.02)
177:     bond    (-121.876,  77.612, -22.958)  (-121.848,  77.645, -22.956)  ( 0.02,  0.04,  0.01)
177:     angle   ( 52.475, 188.373, -23.225)  ( 52.487, 188.380, -23.225)  ( 0.02,  0.00,  0.00)
177:     torsion ( -0.147,   0.296,   1.932)  ( -0.147,   0.296,   1.938)  ( 0.00,  0.00,  0.34)
177:     oop     (  0.005,  -0.007,  -0.048)  (  0.005,  -0.007,  -0.048)  ( 0.00,  0.00,  0.00)
177:     vdw     (-34.504,   3.961,  -4.024)  (-34.504,   3.961,  -4.024)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.351,  -0.454,  -0.231)  ( -0.351,  -0.454,  -0.231)  ( 0.00,  0.00,  0.00)
177: 18       (266.899,  64.087,  16.746)  (266.934,  64.124,  16.749)  ( 0.01,  0.06,  0.02)
177:     bond    (132.317,  -0.927,  13.697)  (132.343,  -0.898,  13.698)  ( 0.02,  2.68,  0.01)
177:     angle   (102.842, 120.385,  -6.104)  (102.851, 120.393,  -6.104)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.378,   0.601,   4.209)  ( -0.378,   0.601,   4.211)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 28.720, -49.200,   2.599)  ( 28.720, -49.199,   2.599)  ( 0.00,  0.00,  0.00)
177:     electro (  3.398,  -6.773,   2.345)  (  3.398,  -6.773,   2.345)  ( 0.00,  0.00,  0.00)
177: 19       (-1538.742, 1188.788, -276.653)  (-1538.710, 1188.828, -276.640)  ( 0.00,  0.00,  0.00)
177:     bond    (-1545.879, 1191.431, -274.504)  (-1545.847, 1191.469, -274.493)  ( 0.00,  0.00,  0.00)
177:     angle   (  1.487,  -4.525,  -0.024)  (  1.487,  -4.523,  -0.023)  ( 0.01,  0.05,  0.00)
177:     torsion (  2.548,   2.036,   1.544)  (  2.548,   2.036,   1.545)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.143,  -0.004,  -2.932)  (  4.144,  -0.004,  -2.932)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.041,  -0.150,  -0.737)  ( -1.041,  -0.150,  -0.737)  ( 0.00,  0.00,  0.00)
177: 20       ( 86.436, 706.025, -101.088)  ( 86.458, 706.051, -101.081)  ( 0.03,  0.00,  0.01)
177:     bond    (151.196, 878.960, -118.276)  (151.217, 878.983, -118.271)  ( 0.01,  0.00,  0.00)
177:     angle   (-67.603, -173.081,  19.919)  (-67.602, -173.079,  19.919)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.274,  -0.460,  -3.000)  (  0.274,  -0.460,  -2.998)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.533,  -0.331,  -1.224)  (  1.533,  -0.331,  -1.224)  ( 0.00,  0.00,  0.00)
177:     electro (  1.035,   0.938,   1.494)  (  1.035,   0.938,   1.494)  ( 0.00,  0.00,  0.00)
177: 21       (1495.435, -2134.121, 408.407)  (1495.458, -2134.091, 408.423)  ( 0.00,  0.00,  0.00)
177:     bond    (1489.384, -2120.756, 422.184)  (1489.406, -2120.728, 422.199)  ( 0.00,  0.00,  0.00)
177:     angle   (  4.342,  -5.879, -12.450)  (  4.342,  -5.877, -12.449)  ( 0.01,  0.02,  0.01)
177:     torsion (  1.876,  -6.333,   0.144)  (  1.876,  -6.333,   0.145)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.735,  -1.231,  -1.506)  (  2.735,  -1.231,  -1.506)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.902,   0.078,   0.035)  ( -2.902,   0.078,   0.035)  ( 0.00,  0.00,  0.00)
177: 22       (-51.923,  27.002,   1.657)  (-51.916,  27.014,   1.659)  ( 0.01,  0.05,  0.06)
177:     bond    (-20.900, -26.742,  -4.766)  (-20.893, -26.730,  -4.766)  ( 0.03,  0.04,  0.01)
177:     angle   ( -5.057,   1.912,  11.443)  ( -5.057,   1.912,  11.444)  ( 0.00,  0.00,  0.01)
177:     torsion ( -3.586,   3.178,  -2.103)  ( -3.586,   3.178,  -2.103)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-31.069,  49.001,  -3.748)  (-31.068,  49.002,  -3.748)  ( 0.00,  0.00,  0.00)
177:     electro (  8.688,  -0.348,   0.831)  (  8.688,  -0.348,   0.831)  ( 0.00,  0.00,  0.00)
177: 23       ( -3.878,   2.588,  -1.893)  ( -3.870,   2.596,  -1.891)  ( 0.23,  0.31,  0.13)
177:     bond    ( -0.574,  -0.525,  -0.252)  ( -0.566,  -0.519,  -0.250)  ( 0.40,  0.31,  0.03)
177:     angle   ( -5.635,   6.083,   0.123)  ( -5.633,   6.085,   0.123)  ( 0.03,  0.03,  0.00)
177:     torsion (  0.329,   0.326,  -1.421)  (  0.329,   0.326,  -1.420)  ( 0.00,  0.00,  0.07)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.425,  -3.472,  -0.465)  (  2.425,  -3.472,  -0.465)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.424,   0.176,   0.122)  ( -0.424,   0.176,   0.122)  ( 0.00,  0.00,  0.00)
177: 24       (  7.995,   5.188,  -8.011)  (  7.998,   5.202,  -8.008)  ( 0.04,  0.26,  0.03)
177:     bond    (  1.778,   9.862,  -1.175)  (  1.779,   9.875,  -1.175)  ( 0.03,  0.14,  0.02)
177:     angle   (  5.650,  -2.229, -10.182)  (  5.652,  -2.229, -10.180)  ( 0.04,  0.01,  0.02)
177:     torsion ( -3.745,   0.362,  -2.628)  ( -3.745,   0.362,  -2.628)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.871,  -2.924,   6.832)  (  3.871,  -2.924,   6.832)  ( 0.01,  0.00,  0.00)
177:     electro (  0.441,   0.118,  -0.859)  (  0.441,   0.118,  -0.859)  ( 0.00,  0.00,  0.00)
177: 25       (  3.805,   6.261,  -9.494)  (  3.810,   6.265,  -9.483)  ( 0.15,  0.06,  0.11)
177:     bond    ( -0.049,  -0.029,  -0.085)  ( -0.046,  -0.027,  -0.075)  ( 0.02,  0.00,  0.08)
177:     angle   ( -0.551,  24.710,  -8.633)  ( -0.549,  24.712,  -8.632)  ( 0.12,  0.01,  0.01)
177:     torsion (  1.574,  -4.084,   0.532)  (  1.574,  -4.084,   0.532)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.456, -13.791,  -0.063)  (  2.456, -13.791,  -0.063)  ( 0.00,  0.00,  0.00)
177:     electro (  0.375,  -0.545,  -1.244)  (  0.375,  -0.545,  -1.244)  ( 0.00,  0.00,  0.00)
177: 26       ( -4.871, -15.773,  15.087)  ( -4.869, -15.767,  15.097)  ( 0.05,  0.04,  0.07)
177:     bond    ( -2.603,   5.540,   8.677)  ( -2.602,   5.544,   8.687)  ( 0.03,  0.07,  0.11)
177:     angle   ( -3.041, -32.251,  19.671)  ( -3.039, -32.249,  19.672)  ( 0.06,  0.01,  0.00)
177:     torsion ( -1.919,   0.000,  -0.575)  ( -1.919,   0.000,  -0.575)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.187,  10.150, -11.492)  (  2.187,  10.150, -11.491)  ( 0.00,  0.00,  0.00)
177:     electro (  0.505,   0.787,  -1.195)  (  0.505,   0.787,  -1.195)  ( 0.00,  0.00,  0.00)
177: 27       (  1.735,  -0.888,   2.081)  (  1.744,  -0.882,   2.084)  ( 0.55,  0.54,  0.14)
177:     bond    (  2.163,  -1.595,   0.593)  (  2.172,  -1.591,   0.594)  ( 0.40,  0.29,  0.04)
177:     angle   ( -1.176,  -1.400,   0.551)  ( -1.175,  -1.398,   0.553)  ( 0.07,  0.10,  0.13)
177:     torsion (  0.730,   1.478,   1.289)  (  0.730,   1.478,   1.289)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.029,  -0.328,   0.071)  ( -0.029,  -0.328,   0.071)  ( 0.00,  0.00,  0.00)
177:     electro (  0.046,   0.956,  -0.422)  (  0.046,   0.956,  -0.422)  ( 0.00,  0.00,  0.00)
177: 28       (  0.954,  -5.346,  -0.633)  (  0.963,  -5.340,  -0.630)  ( 0.87,  0.12,  0.21)
177:     bond    ( -2.542,  -1.968,  -0.836)  ( -2.534,  -1.963,  -0.835)  ( 0.32,  0.25,  0.08)
177:     angle   (  2.418,  -3.758,   1.489)  (  2.418,  -3.757,   1.492)  ( 0.04,  0.04,  0.16)
177:     torsion (  0.984,  -1.067,  -0.477)  (  0.984,  -1.067,  -0.477)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.212,   0.467,  -0.324)  ( -0.212,   0.467,  -0.324)  ( 0.00,  0.00,  0.00)
177:     electro (  0.307,   0.980,  -0.486)  (  0.307,   0.980,  -0.486)  ( 0.00,  0.00,  0.00)
177: 29       ( -2.244,   1.339,  -9.097)  ( -2.236,   1.344,  -9.091)  ( 0.34,  0.43,  0.06)
177:     bond    ( -1.127,   0.796,  -0.929)  ( -1.120,   0.799,  -0.925)  ( 0.57,  0.26,  0.41)
177:     angle   ( -2.303, -19.066, -13.691)  ( -2.302, -19.064, -13.690)  ( 0.05,  0.01,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.469,  18.917,   5.895)  (  1.469,  18.918,   5.895)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.283,   0.691,  -0.371)  ( -0.283,   0.691,  -0.371)  ( 0.00,  0.00,  0.00)
177: 30       (  0.093,  -0.960,   8.322)  (  0.098,  -0.956,   8.332)  ( 0.05,  0.39,  0.12)
177:     bond    ( -3.132,  -2.734,   5.362)  ( -3.129,  -2.732,   5.371)  ( 0.10,  0.08,  0.17)
177:     angle   (  3.096,   1.352,   2.493)  (  3.098,   1.354,   2.493)  ( 0.06,  0.13,  0.04)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.323,   0.789,   0.324)  (  0.323,   0.789,   0.324)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.194,  -0.368,   0.143)  ( -0.194,  -0.368,   0.143)  ( 0.00,  0.00,  0.00)
177: 31       (  1.164,  -3.174,  -9.797)  (  1.168,  -3.165,  -9.791)  ( 0.37,  0.27,  0.06)
177:     bond    (  2.928,  -6.193,  -4.835)  (  2.929,  -6.186,  -4.831)  ( 0.06,  0.12,  0.10)
177:     angle   (-14.636,   2.588, -12.191)  (-14.634,   2.589, -12.190)  ( 0.01,  0.04,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 14.644,   0.498,   7.769)  ( 14.645,   0.498,   7.769)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.773,  -0.066,  -0.540)  ( -1.773,  -0.066,  -0.540)  ( 0.00,  0.00,  0.00)
177: 32       (  8.966,   3.718,  -1.249)  (  8.973,   3.727,  -1.247)  ( 0.08,  0.24,  0.18)
177:     bond    (  5.952,   6.761,   1.241)  (  5.959,   6.769,   1.242)  ( 0.10,  0.12,  0.02)
177:     angle   (  9.189,  -7.564,  -2.877)  (  9.190,  -7.563,  -2.875)  ( 0.01,  0.01,  0.07)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.465,   3.912,   0.042)  ( -6.465,   3.912,   0.042)  ( 0.00,  0.00,  0.00)
177:     electro (  0.289,   0.609,   0.344)  (  0.289,   0.609,   0.344)  ( 0.00,  0.00,  0.00)
177: 33       (  4.858,   2.418,  -8.841)  (  4.862,   2.423,  -8.831)  ( 0.07,  0.22,  0.11)
177:     bond    (  2.541,  -4.385,  -6.934)  (  2.542,  -4.381,  -6.924)  ( 0.05,  0.08,  0.13)
177:     angle   (  6.028,   7.272,  -2.389)  (  6.030,   7.274,  -2.388)  ( 0.03,  0.02,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -5.260,  -1.149,   0.216)  ( -5.260,  -1.149,   0.216)  ( 0.00,  0.00,  0.00)
177:     electro (  1.549,   0.680,   0.265)  (  1.549,   0.680,   0.265)  ( 0.00,  0.00,  0.00)
177: 34       ( -0.628,   0.434,   8.528)  ( -0.625,   0.440,   8.538)  ( 0.16,  0.28,  0.11)
177:     bond    (  0.251,  -3.966,   5.301)  (  0.251,  -3.961,   5.311)  ( 0.00,  0.13,  0.17)
177:     angle   (  0.170,   4.417,   3.287)  (  0.173,   4.419,   3.287)  ( 0.04,  0.03,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.706,  -0.232,  -1.036)  ( -1.706,  -0.232,  -1.036)  ( 0.00,  0.00,  0.00)
177:     electro (  0.657,   0.214,   0.976)  (  0.657,   0.214,   0.976)  ( 0.00,  0.00,  0.00)
177: 35       (  8.248,   6.901,  -0.584)  (  8.255,   6.911,  -0.583)  ( 0.09,  0.15,  0.09)
177:     bond    (  5.924,   8.036,  -0.594)  (  5.929,   8.045,  -0.594)  ( 0.08,  0.12,  0.00)
177:     angle   (  1.921,  -1.386,   0.451)  (  1.924,  -1.384,   0.451)  ( 0.12,  0.08,  0.00)
177:     torsion (  0.038,  -0.054,  -0.357)  (  0.038,  -0.054,  -0.355)  ( 0.00,  0.00,  0.05)
177:     oop     (  0.004,  -0.006,  -0.040)  (  0.004,  -0.006,  -0.040)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.584,   0.227,   0.036)  (  0.584,   0.227,   0.036)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.224,   0.084,  -0.081)  ( -0.224,   0.084,  -0.081)  ( 0.00,  0.00,  0.00)
177: 36       (-11.234,   3.388,  -2.136)  (-11.220,   3.392,  -2.134)  ( 0.13,  0.11,  0.08)
177:     bond    (-12.281,   1.560,  -1.568)  (-12.267,   1.560,  -1.568)  ( 0.11,  0.02,  0.02)
177:     angle   (  0.218,   1.503,  -0.206)  (  0.218,   1.506,  -0.206)  ( 0.00,  0.22,  0.00)
177:     torsion (  0.040,  -0.057,  -0.375)  (  0.040,  -0.057,  -0.373)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.374,   0.156,   0.019)  (  0.374,   0.156,   0.019)  ( 0.00,  0.00,  0.00)
177:     electro (  0.414,   0.226,  -0.013)  (  0.414,   0.226,  -0.013)  ( 0.00,  0.00,  0.00)
177: 37       ( -7.663,   9.470,  -2.292)  ( -7.657,   9.482,  -2.290)  ( 0.07,  0.13,  0.08)
177:     bond    ( -5.129,  11.363,  -2.288)  ( -5.126,  11.374,  -2.287)  ( 0.05,  0.10,  0.02)
177:     angle   ( -2.392,  -1.097,  -0.098)  ( -2.389,  -1.097,  -0.098)  ( 0.12,  0.05,  0.00)
177:     torsion ( -0.006,   0.008,   0.049)  ( -0.006,   0.008,   0.051)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.004,  -0.005,  -0.036)  (  0.004,  -0.005,  -0.036)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.035,  -0.400,   0.057)  ( -0.035,  -0.400,   0.057)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.105,  -0.398,   0.023)  ( -0.105,  -0.398,   0.023)  ( 0.00,  0.00,  0.00)
177: 38       ( -7.103,  -7.577,   1.149)  ( -7.095,  -7.567,   1.150)  ( 0.10,  0.14,  0.13)
177:     bond    ( -6.172,  -8.092,   0.595)  ( -6.167,  -8.083,   0.595)  ( 0.09,  0.11,  0.00)
177:     angle   ( -0.200,   0.150,   0.009)  ( -0.197,   0.151,   0.009)  ( 0.04,  0.02,  0.00)
177:     torsion ( -0.081,   0.120,   0.791)  ( -0.081,   0.120,   0.793)  ( 0.00,  0.00,  0.11)
177:     oop     (  0.007,  -0.010,  -0.065)  (  0.007,  -0.010,  -0.065)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.021,  -0.614,   0.092)  ( -0.021,  -0.614,   0.092)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.636,   0.869,  -0.272)  ( -0.636,   0.869,  -0.272)  ( 0.00,  0.00,  0.00)
177: 39       ( 14.544, -46.771,   5.984)  ( 14.549, -46.755,   5.985)  ( 0.03,  0.03,  0.02)
177:     bond    (-11.935, -42.857,   4.341)  (-11.933, -42.841,   4.341)  ( 0.01,  0.04,  0.01)
177:     angle   ( 34.112,  -9.074,   4.235)  ( 34.116,  -9.073,   4.235)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.147,  -0.213,  -1.697)  (  0.147,  -0.213,  -1.696)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.255,  -1.843,   0.086)  (  2.255,  -1.843,   0.086)  ( 0.00,  0.00,  0.00)
177:     electro (-10.036,   7.216,  -0.981)  (-10.036,   7.216,  -0.980)  ( 0.00,  0.00,  0.00)
177: ok 28 # gradients 
177: ok 29 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (-266.482, -479.694, -43.813)  (-266.456, -479.664, -43.790)  ( 0.01,  0.01,  0.05)
177:     bond    (-76.378, -83.328,   5.828)  (-76.359, -83.306,   5.843)  ( 0.03,  0.03,  0.27)
177:     angle   (-184.516, -391.126, -46.098)  (-184.508, -391.119, -46.091)  ( 0.00,  0.00,  0.02)
177:     torsion (  1.060,  -0.726,   1.536)  (  1.060,  -0.726,   1.536)  ( 0.02,  0.01,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.793,  -4.720,  -5.317)  ( -6.793,  -4.720,  -5.317)  ( 0.00,  0.00,  0.00)
177:     electro (  0.145,   0.206,   0.239)  (  0.145,   0.206,   0.239)  ( 0.00,  0.00,  0.00)
177:  2       (-132.059,  49.062, 150.864)  (-132.031,  49.085, 150.890)  ( 0.02,  0.05,  0.02)
177:     bond    ( -1.376,  30.055, -80.272)  ( -1.356,  30.069, -80.253)  ( 1.43,  0.04,  0.02)
177:     angle   (-124.451,  16.569, 235.148)  (-124.442,  16.579, 235.155)  ( 0.01,  0.06,  0.00)
177:     torsion ( -2.945,  -0.838,  -1.648)  ( -2.945,  -0.837,  -1.648)  ( 0.01,  0.03,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.377,   3.420,  -2.472)  ( -3.377,   3.420,  -2.472)  ( 0.00,  0.00,  0.00)
177:     electro (  0.090,  -0.145,   0.108)  (  0.090,  -0.145,   0.108)  ( 0.00,  0.00,  0.00)
177:  3       (110.160, 148.761, -292.810)  (110.190, 148.785, -292.785)  ( 0.03,  0.02,  0.01)
177:     bond    (  8.731,  23.950, -81.012)  (  8.753,  23.968, -80.997)  ( 0.25,  0.07,  0.02)
177:     angle   (101.841,  71.301, -240.322)  (101.848,  71.307, -240.312)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.513,  51.059,  29.046)  (  0.513,  51.059,  29.046)  ( 0.00,  0.00,  0.00)
177:     oop     ( -2.509,   2.630,   4.705)  ( -2.509,   2.630,   4.704)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.594,  -0.021,  -5.411)  (  1.595,  -0.021,  -5.411)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.011,  -0.158,   0.186)  ( -0.011,  -0.158,   0.186)  ( 0.00,  0.00,  0.00)
177:  4       (-30.625, 274.618, 409.412)  (-30.601, 274.644, 409.441)  ( 0.08,  0.01,  0.01)
177:     bond    (-18.678,  45.805, 103.924)  (-18.662,  45.823, 103.946)  ( 0.09,  0.04,  0.02)
177:     angle   ( -9.785, 221.954, 301.672)  ( -9.776, 221.961, 301.679)  ( 0.08,  0.00,  0.00)
177:     torsion (  0.405,   0.933,  -0.441)  (  0.406,   0.934,  -0.440)  ( 0.01,  0.03,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.402,   6.262,   4.497)  ( -2.402,   6.263,   4.497)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.166,  -0.336,  -0.240)  ( -0.166,  -0.336,  -0.240)  ( 0.00,  0.00,  0.00)
177:  5       (-137.416, -531.065, -97.350)  (-137.384, -531.040, -97.333)  ( 0.02,  0.00,  0.02)
177:     bond    ( 88.506, -87.549,  -9.444)  ( 88.531, -87.530,  -9.433)  ( 0.03,  0.02,  0.12)
177:     angle   (-157.117, -341.106,  92.987)  (-157.111, -341.100,  92.994)  ( 0.00,  0.00,  0.01)
177:     torsion (-51.264, -122.036, -154.726)  (-51.263, -122.036, -154.727)  ( 0.00,  0.00,  0.00)
177:     oop     ( -1.611, -11.797, -24.093)  ( -1.610, -11.797, -24.093)  ( 0.01,  0.00,  0.00)
177:     vdw     (-15.854,  31.751,  -2.089)  (-15.853,  31.752,  -2.089)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.077,  -0.328,   0.014)  ( -0.077,  -0.328,   0.014)  ( 0.00,  0.00,  0.00)
177:  6       (245.381, 296.830,  31.668)  (245.414, 296.859,  31.682)  ( 0.01,  0.01,  0.04)
177:     bond    (-29.392, -55.954,  71.590)  (-29.364, -55.933,  71.598)  ( 0.09,  0.04,  0.01)
177:     angle   (185.102, 258.572, -102.084)  (185.107, 258.580, -102.079)  ( 0.00,  0.00,  0.00)
177:     torsion ( 62.393,  63.069,  66.961)  ( 62.393,  63.070,  66.961)  ( 0.00,  0.00,  0.00)
177:     oop     (  8.791,   9.410,  14.566)  (  8.791,   9.411,  14.567)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 18.952,  22.069, -19.310)  ( 18.952,  22.070, -19.310)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.465,  -0.337,  -0.055)  ( -0.465,  -0.337,  -0.055)  ( 0.00,  0.00,  0.00)
177:  7       (-401.813, -73.073,  28.170)  (-401.780, -73.042,  28.179)  ( 0.01,  0.04,  0.03)
177:     bond    (-149.923, -28.956,   2.127)  (-149.897, -28.932,   2.133)  ( 0.02,  0.08,  0.27)
177:     angle   (-208.356, -55.507,  -2.256)  (-208.351, -55.499,  -2.251)  ( 0.00,  0.01,  0.20)
177:     torsion (-70.028,  -4.287,  30.371)  (-70.028,  -4.286,  30.369)  ( 0.00,  0.00,  0.01)
177:     oop     (-12.729,   8.838,   8.229)  (-12.728,   8.838,   8.229)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 39.726,   6.305,  -9.508)  ( 39.727,   6.305,  -9.508)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.503,   0.533,  -0.794)  ( -0.503,   0.533,  -0.794)  ( 0.00,  0.00,  0.00)
177:  8       ( 89.558, -165.608, 378.995)  ( 89.583, -165.575, 379.011)  ( 0.03,  0.02,  0.00)
177:     bond    (-12.719, 127.733,  52.907)  (-12.701, 127.758,  52.919)  ( 0.14,  0.02,  0.02)
177:     angle   ( 59.540, -254.126, 333.740)  ( 59.549, -254.119, 333.744)  ( 0.01,  0.00,  0.00)
177:     torsion ( 16.921,   0.360, -13.615)  ( 16.921,   0.360, -13.616)  ( 0.00,  0.01,  0.01)
177:     oop     (  8.991,  -8.957,   3.518)  (  8.992,  -8.956,   3.518)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 17.205, -31.007,   3.025)  ( 17.205, -31.006,   3.025)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.381,   0.388,  -0.579)  ( -0.381,   0.388,  -0.579)  ( 0.00,  0.00,  0.00)
177:  9       (181.050, 212.936, -503.785)  (181.074, 212.952, -503.754)  ( 0.01,  0.01,  0.01)
177:     bond    ( 54.926,  21.639, -111.990)  ( 54.943,  21.649, -111.962)  ( 0.03,  0.05,  0.02)
177:     angle   (154.408, 215.364, -335.099)  (154.416, 215.371, -335.095)  ( 0.00,  0.00,  0.00)
177:     torsion (-22.776, -29.287, -77.090)  (-22.776, -29.288, -77.091)  ( 0.00,  0.00,  0.00)
177:     oop     ( 14.301,  11.997,  -6.900)  ( 14.301,  11.997,  -6.899)  ( 0.00,  0.00,  0.00)
177:     vdw     (-19.011,  -7.904,  28.441)  (-19.010,  -7.903,  28.441)  ( 0.00,  0.01,  0.00)
177:     electro ( -0.798,   1.127,  -1.148)  ( -0.798,   1.127,  -1.148)  ( 0.00,  0.00,  0.00)
177: 10       (-110.980, -89.621, 508.052)  (-110.951, -89.590, 508.066)  ( 0.03,  0.03,  0.00)
177:     bond    ( 59.114,  26.350,  -5.703)  ( 59.132,  26.376,  -5.692)  ( 0.03,  0.10,  0.19)
177:     angle   (-159.699, -148.196, 364.979)  (-159.690, -148.191, 364.982)  ( 0.01,  0.00,  0.00)
177:     torsion ( 26.353,  29.164, 110.319)  ( 26.353,  29.164, 110.319)  ( 0.00,  0.00,  0.00)
177:     oop     ( -4.165,   8.811,  20.079)  ( -4.165,   8.811,  20.079)  ( 0.00,  0.00,  0.00)
177:     vdw     (-32.950,  -5.653,  18.948)  (-32.949,  -5.652,  18.948)  ( 0.00,  0.00,  0.00)
177:     electro (  0.368,  -0.097,  -0.570)  (  0.368,  -0.097,  -0.570)  ( 0.00,  0.00,  0.00)
177: 11       ( 56.378,  -4.697, -170.713)  ( 56.403,  -4.667, -170.689)  ( 0.05,  0.64,  0.01)
177:     bond    (-90.846, -30.106,   8.396)  (-90.828, -30.087,   8.413)  ( 0.02,  0.07,  0.20)
177:     angle   (119.802,  13.861, -237.361)  (119.810,  13.871, -237.353)  ( 0.01,  0.07,  0.00)
177:     torsion ( 29.207,  14.568,  65.225)  ( 29.207,  14.568,  65.225)  ( 0.00,  0.00,  0.00)
177:     oop     ( -3.616,  -0.940,  -3.440)  ( -3.616,  -0.940,  -3.440)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.733,  -2.762,  -2.198)  (  1.733,  -2.762,  -2.198)  ( 0.00,  0.00,  0.00)
177:     electro (  0.097,   0.683,  -1.336)  (  0.097,   0.683,  -1.336)  ( 0.00,  0.00,  0.00)
177: 12       (180.244, -95.216, -388.464)  (180.269, -95.191, -388.435)  ( 0.01,  0.03,  0.01)
177:     bond    ( 50.891, -34.511, -102.084)  ( 50.909, -34.494, -102.063)  ( 0.04,  0.05,  0.02)
177:     angle   (129.592, -56.377, -281.676)  (129.599, -56.369, -281.668)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.461,   0.236,  -0.331)  ( -0.461,   0.236,  -0.331)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.263,  -4.446,  -3.428)  (  0.263,  -4.446,  -3.428)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.041,  -0.118,  -0.945)  ( -0.041,  -0.118,  -0.945)  ( 0.00,  0.00,  0.00)
177: 13       (177.159, -749.884, 357.327)  (177.174, -749.860, 357.355)  ( 0.01,  0.00,  0.01)
177:     bond    (-44.902, -130.055, 126.312)  (-44.885, -130.041, 126.343)  ( 0.04,  0.01,  0.02)
177:     angle   (216.616, -602.738, 233.791)  (216.618, -602.728, 233.790)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.742, -11.601,  -8.917)  (  1.740, -11.601,  -8.919)  ( 0.13,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.733,  -4.260,   5.522)  (  3.734,  -4.260,   5.522)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.031,  -1.230,   0.619)  ( -0.031,  -1.230,   0.619)  ( 0.00,  0.00,  0.00)
177: 14       (-556.433, 545.313, 144.224)  (-556.456, 545.339, 144.202)  ( 0.00,  0.00,  0.02)
177:     bond    ( 81.201, 143.057, -90.224)  ( 81.207, 143.080, -90.217)  ( 0.01,  0.02,  0.01)
177:     angle   (-649.254, 403.667, 216.950)  (-649.268, 403.671, 216.934)  ( 0.00,  0.00,  0.01)
177:     torsion (  7.273,   2.361,  10.183)  (  7.258,   2.361,  10.170)  ( 0.20,  0.00,  0.13)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.736,  -4.191,   9.144)  (  4.736,  -4.190,   9.144)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.389,   0.418,  -1.830)  ( -0.389,   0.418,  -1.830)  ( 0.00,  0.00,  0.00)
177: 15       ( 76.350, 389.501, -193.205)  ( 76.358, 389.506, -193.187)  ( 0.01,  0.00,  0.01)
177:     bond    (-16.374,  -6.624, -25.478)  (-16.366,  -6.622, -25.460)  ( 0.05,  0.02,  0.07)
177:     angle   (100.420, 396.337, -167.640)  (100.420, 396.341, -167.641)  ( 0.00,  0.00,  0.00)
177:     torsion ( -2.927,   5.455,   0.463)  ( -2.927,   5.455,   0.463)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.167,   0.434,  -0.320)  ( -0.167,   0.434,  -0.319)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.602,  -6.102,  -0.229)  ( -4.602,  -6.102,  -0.229)  ( 0.00,  0.00,  0.00)
177: 16       ( 78.937, 133.256, -20.896)  ( 78.950, 133.259, -20.894)  ( 0.02,  0.00,  0.01)
177:     bond    ( 57.660,  -9.711,  -1.294)  ( 57.674,  -9.710,  -1.293)  ( 0.02,  0.01,  0.02)
177:     angle   ( 24.213, 146.344, -19.060)  ( 24.213, 146.346, -19.059)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.031,   0.059,   0.940)  (  0.031,   0.059,   0.940)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.860,  -3.336,  -1.462)  ( -2.860,  -3.336,  -1.462)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.107,  -0.099,  -0.020)  ( -0.107,  -0.099,  -0.020)  ( 0.00,  0.00,  0.00)
177: 17       ( 96.618, 110.889, -34.524)  ( 96.621, 110.897, -34.515)  ( 0.00,  0.01,  0.03)
177:     bond    (  0.060,  35.420,  37.564)  (  0.060,  35.427,  37.571)  ( 0.00,  0.02,  0.02)
177:     angle   ( 97.288,  76.300, -72.104)  ( 97.290,  76.301, -72.103)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.377,   0.283,  -0.266)  ( -0.377,   0.283,  -0.266)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.298,  -0.992,   0.292)  ( -0.298,  -0.992,   0.292)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.055,  -0.122,  -0.010)  ( -0.055,  -0.122,  -0.010)  ( 0.00,  0.00,  0.00)
177: 18       (152.532, 125.133,  49.263)  (152.534, 125.140,  49.273)  ( 0.00,  0.01,  0.02)
177:     bond    (  1.891,  37.018, -40.293)  (  1.892,  37.025, -40.286)  ( 0.01,  0.02,  0.02)
177:     angle   (152.656,  91.410,  91.178)  (152.658,  91.411,  91.179)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.516,  -0.455,  -0.394)  (  0.516,  -0.455,  -0.394)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.445,  -2.751,  -1.170)  ( -2.445,  -2.751,  -1.170)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.086,  -0.090,  -0.057)  ( -0.086,  -0.090,  -0.057)  ( 0.00,  0.00,  0.00)
177: 19       ( 33.598,  47.349,  77.603)  ( 33.602,  47.354,  77.613)  ( 0.01,  0.01,  0.01)
177:     bond    ( 19.727, -25.506,  49.933)  ( 19.729, -25.503,  49.943)  ( 0.01,  0.01,  0.02)
177:     angle   ( 16.295,  69.516,  29.060)  ( 16.297,  69.518,  29.061)  ( 0.01,  0.00,  0.00)
177:     torsion (  1.324,  -0.032,  -0.539)  (  1.324,  -0.032,  -0.539)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.715,   3.219,  -0.642)  ( -3.715,   3.219,  -0.642)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.034,   0.151,  -0.208)  ( -0.034,   0.151,  -0.208)  ( 0.00,  0.00,  0.00)
177: 20       ( 90.303,  55.220,  37.006)  ( 90.306,  55.226,  37.017)  ( 0.00,  0.01,  0.03)
177:     bond    (  0.943,  37.503,  57.728)  (  0.944,  37.507,  57.738)  ( 0.03,  0.01,  0.02)
177:     angle   ( 87.895,  16.775, -12.335)  ( 87.898,  16.776, -12.334)  ( 0.00,  0.01,  0.01)
177:     torsion (  0.010,   0.212,  -0.138)  (  0.010,   0.212,  -0.138)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.240,   0.796,  -8.184)  (  1.240,   0.796,  -8.184)  ( 0.02,  0.00,  0.00)
177:     electro (  0.215,  -0.065,  -0.065)  (  0.215,  -0.065,  -0.065)  ( 0.00,  0.00,  0.00)
177: 21       (-63.090, -43.510, -52.283)  (-63.085, -43.498, -52.281)  ( 0.01,  0.03,  0.00)
177:     bond    (-21.882, -53.796,   9.267)  (-21.880, -53.784,   9.268)  ( 0.01,  0.02,  0.01)
177:     angle   (-42.282,   6.801, -60.352)  (-42.280,   6.801, -60.350)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.135,   0.242,   1.726)  (  0.135,   0.242,   1.726)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.898,   3.181,  -2.868)  (  0.899,   3.181,  -2.868)  ( 0.02,  0.00,  0.00)
177:     electro (  0.041,   0.062,  -0.056)  (  0.041,   0.062,  -0.056)  ( 0.00,  0.00,  0.00)
177: 22       (-26.831, -85.474, -162.750)  (-26.818, -85.471, -162.747)  ( 0.05,  0.00,  0.00)
177:     bond    ( 48.229, -13.904, -17.372)  ( 48.241, -13.903, -17.370)  ( 0.02,  0.01,  0.01)
177:     angle   (-75.013, -75.597, -147.824)  (-75.012, -75.596, -147.822)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.039,   0.436,  -0.240)  (  0.039,   0.436,  -0.240)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.104,   3.478,   2.557)  ( -0.104,   3.478,   2.557)  ( 0.00,  0.00,  0.00)
177:     electro (  0.018,   0.113,   0.128)  (  0.018,   0.113,   0.128)  ( 0.00,  0.00,  0.00)
177: 23       ( 33.747, -52.410, -106.699)  ( 33.750, -52.404, -106.689)  ( 0.01,  0.01,  0.01)
177:     bond    (-16.946,  27.100, -50.783)  (-16.944,  27.103, -50.773)  ( 0.01,  0.01,  0.02)
177:     angle   ( 51.568, -82.556, -61.278)  ( 51.570, -82.553, -61.278)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.261,  -0.133,   0.016)  ( -0.261,  -0.133,   0.016)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.764,   3.067,   5.256)  ( -0.764,   3.067,   5.256)  ( 0.00,  0.00,  0.00)
177:     electro (  0.149,   0.111,   0.090)  (  0.149,   0.111,   0.090)  ( 0.00,  0.00,  0.00)
177: 24       ( 49.461, -53.866, -118.082)  ( 49.465, -53.854, -118.079)  ( 0.01,  0.02,  0.00)
177:     bond    (-19.199, -42.597,  -7.004)  (-19.197, -42.585,  -7.004)  ( 0.01,  0.03,  0.01)
177:     angle   ( 70.070, -12.969, -113.206)  ( 70.072, -12.969, -113.204)  ( 0.00,  0.00,  0.00)
177:     torsion (  0.095,  -0.051,   0.051)  (  0.095,  -0.051,   0.051)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.554,   1.700,   1.922)  ( -1.554,   1.700,   1.922)  ( 0.00,  0.00,  0.00)
177:     electro (  0.049,   0.051,   0.155)  (  0.049,   0.051,   0.155)  ( 0.00,  0.00,  0.00)
177: 25       (-25.952,  20.240,  -3.550)  (-25.947,  20.250,  -3.547)  ( 0.02,  0.05,  0.09)
177:     bond    (  1.906,   3.328,  -1.859)  (  1.909,   3.337,  -1.856)  ( 0.15,  0.26,  0.15)
177:     angle   (-23.590,   6.922, -11.820)  (-23.588,   6.923, -11.820)  ( 0.01,  0.01,  0.00)
177:     torsion ( -5.397,  12.560,  17.032)  ( -5.397,  12.561,  17.032)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.943,  -3.058,  -6.468)  ( -0.943,  -3.058,  -6.468)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.851,   0.130,  -0.420)  (  1.851,   0.130,  -0.420)  ( 0.00,  0.00,  0.00)
177:     electro (  0.220,   0.357,  -0.016)  (  0.220,   0.357,  -0.016)  ( 0.00,  0.00,  0.00)
177: 26       ( 48.248, -41.655, -49.930)  ( 48.259, -41.652, -49.928)  ( 0.02,  0.01,  0.00)
177:     bond    (  9.516,   2.414,   4.595)  (  9.527,   2.415,   4.598)  ( 0.12,  0.03,  0.06)
177:     angle   ( -4.786, -23.109,  22.053)  ( -4.786, -23.107,  22.054)  ( 0.00,  0.01,  0.00)
177:     torsion ( 38.058, -14.848, -71.060)  ( 38.058, -14.848, -71.061)  ( 0.00,  0.00,  0.00)
177:     oop     (  4.587,  -5.572,  -6.578)  (  4.587,  -5.572,  -6.578)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.374,  -0.651,   0.336)  (  0.374,  -0.651,   0.336)  ( 0.00,  0.00,  0.00)
177:     electro (  0.499,   0.111,   0.724)  (  0.499,   0.111,   0.724)  ( 0.00,  0.00,  0.00)
177: 27       (-40.977,   7.509,  19.060)  (-40.974,   7.509,  19.074)  ( 0.01,  0.00,  0.07)
177:     bond    (  1.028,  -0.156,   4.309)  (  1.029,  -0.156,   4.323)  ( 0.07,  0.00,  0.32)
177:     angle   (-13.326,  32.552,   4.350)  (-13.325,  32.553,   4.350)  ( 0.01,  0.00,  0.00)
177:     torsion (-20.425, -20.126,   4.133)  (-20.425, -20.127,   4.133)  ( 0.00,  0.00,  0.00)
177:     oop     ( -8.448,  -5.700,   1.805)  ( -8.448,  -5.700,   1.805)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.589,   1.362,   3.138)  ( -0.589,   1.362,   3.138)  ( 0.00,  0.00,  0.00)
177:     electro (  0.783,  -0.423,   1.325)  (  0.783,  -0.423,   1.325)  ( 0.00,  0.00,  0.00)
177: 28       (-97.293, 158.369, -77.769)  (-97.282, 158.372, -77.764)  ( 0.01,  0.00,  0.01)
177:     bond    ( -9.367,  -1.702,   6.347)  ( -9.357,  -1.702,   6.352)  ( 0.10,  0.02,  0.07)
177:     angle   (-80.364, 143.566, -79.911)  (-80.363, 143.569, -79.911)  ( 0.00,  0.00,  0.00)
177:     torsion ( -6.084,  24.848,  -2.304)  ( -6.084,  24.848,  -2.303)  ( 0.00,  0.00,  0.01)
177:     oop     ( -2.651,  -5.664,  -5.423)  ( -2.651,  -5.664,  -5.423)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.654,  -3.117,   3.458)  (  1.654,  -3.117,   3.458)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.480,   0.438,   0.064)  ( -0.480,   0.438,   0.064)  ( 0.00,  0.00,  0.00)
177: 29       ( 46.424,  30.854,  66.418)  ( 46.435,  30.860,  66.421)  ( 0.02,  0.02,  0.00)
177:     bond    ( 61.542,  36.037,   8.889)  ( 61.552,  36.041,   8.890)  ( 0.02,  0.01,  0.01)
177:     angle   (-12.493,   3.768,  71.212)  (-12.492,   3.770,  71.214)  ( 0.01,  0.05,  0.00)
177:     torsion (  0.930,  -1.144,  -1.798)  (  0.930,  -1.144,  -1.798)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.446,  -8.200, -12.840)  ( -4.446,  -8.199, -12.840)  ( 0.00,  0.00,  0.00)
177:     electro (  0.892,   0.393,   0.955)  (  0.892,   0.393,   0.955)  ( 0.00,  0.00,  0.00)
177: 30       (-48.239,  25.591, 117.949)  (-48.237,  25.605, 117.952)  ( 0.00,  0.05,  0.00)
177:     bond    ( -6.792,  53.013,   9.932)  ( -6.792,  53.026,   9.933)  ( 0.01,  0.03,  0.01)
177:     angle   (-43.464, -26.225, 110.281)  (-43.462, -26.225, 110.283)  ( 0.00,  0.00,  0.00)
177:     torsion (  1.154,   0.032,   0.620)  (  1.154,   0.032,   0.620)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.846,  -1.353,  -3.547)  (  0.846,  -1.353,  -3.547)  ( 0.00,  0.00,  0.00)
177:     electro (  0.017,   0.124,   0.662)  (  0.017,   0.124,   0.662)  ( 0.00,  0.00,  0.00)
177: 31       (-56.565,  43.312, 101.137)  (-56.560,  43.315, 101.148)  ( 0.01,  0.01,  0.01)
177:     bond    ( 23.742, -12.645,  46.900)  ( 23.745, -12.644,  46.910)  ( 0.01,  0.01,  0.02)
177:     angle   (-81.124,  57.327,  56.513)  (-81.122,  57.329,  56.514)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.177,  -0.309,   0.007)  ( -0.177,  -0.309,   0.007)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.958,  -1.189,  -2.767)  (  0.958,  -1.189,  -2.767)  ( 0.00,  0.00,  0.00)
177:     electro (  0.037,   0.127,   0.484)  (  0.037,   0.127,   0.484)  ( 0.00,  0.00,  0.00)
177: 32       (-45.479,  41.742, 115.912)  (-45.466,  41.746, 115.915)  ( 0.03,  0.01,  0.00)
177:     bond    (-49.033, -17.444,  10.722)  (-49.021, -17.442,  10.722)  ( 0.02,  0.01,  0.01)
177:     angle   (  2.327,  59.493, 107.416)  (  2.327,  59.495, 107.418)  ( 0.01,  0.00,  0.00)
177:     torsion ( -0.160,   0.329,  -0.198)  ( -0.160,   0.329,  -0.198)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.559,  -0.627,  -2.586)  (  1.559,  -0.627,  -2.586)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.172,  -0.008,   0.558)  ( -0.172,  -0.008,   0.558)  ( 0.00,  0.00,  0.00)
177: 33       (293.648, -251.208, -276.812)  (293.638, -251.194, -276.821)  ( 0.00,  0.01,  0.00)
177:     bond    ( -6.169, -16.241,   7.214)  ( -6.167, -16.229,   7.216)  ( 0.03,  0.07,  0.03)
177:     angle   (299.894, -238.899, -280.972)  (299.888, -238.896, -280.978)  ( 0.00,  0.00,  0.00)
177:     torsion ( -4.857,  -0.334,  -4.901)  ( -4.862,  -0.334,  -4.905)  ( 0.10,  0.00,  0.10)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro (  4.779,   4.265,   1.847)  (  4.779,   4.265,   1.847)  ( 0.00,  0.00,  0.00)
177: ok 30 # gradients 
177: ok 31 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       ( -3.442, -19.470,  -1.727)  ( -3.415, -19.442,  -1.701)  ( 0.78,  0.14,  1.49)
177:     bond    (-12.046,  -1.217,  -1.927)  (-12.027,  -1.199,  -1.908)  ( 0.16,  1.52,  0.97)
177:     angle   (  7.238, -12.120,   0.945)  (  7.246, -12.112,   0.952)  ( 0.11,  0.07,  0.66)
177:     torsion (  0.582,  -6.068,  -1.073)  (  0.582,  -6.068,  -1.073)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.998,   0.178,   0.421)  (  0.998,   0.178,   0.421)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.214,  -0.242,  -0.093)  ( -0.214,  -0.242,  -0.093)  ( 0.00,  0.00,  0.00)
177:  2       (245.840, -11.757,  72.267)  (245.875, -11.718,  72.276)  ( 0.01,  0.33,  0.01)
177:     bond    ( 77.690,  69.207,  45.161)  ( 77.715,  69.238,  45.167)  ( 0.03,  0.04,  0.01)
177:     angle   (172.284, -82.905,  35.928)  (172.294, -82.898,  35.930)  ( 0.01,  0.01,  0.01)
177:     torsion (  2.384,   5.248, -10.001)  (  2.384,   5.248,  -9.999)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -7.633,  -2.172,  -2.491)  ( -7.633,  -2.172,  -2.491)  ( 0.00,  0.00,  0.00)
177:     electro (  1.115,  -1.134,   3.669)  (  1.115,  -1.134,   3.669)  ( 0.00,  0.00,  0.00)
177:  3       ( -5.078,   4.446,  -6.954)  ( -5.074,   4.459,  -6.952)  ( 0.07,  0.29,  0.03)
177:     bond    (  1.459,   4.293,  -0.351)  (  1.460,   4.305,  -0.351)  ( 0.10,  0.29,  0.00)
177:     angle   ( -2.925,   0.321,  -8.216)  ( -2.923,   0.322,  -8.214)  ( 0.07,  0.01,  0.03)
177:     torsion ( -0.484,   0.301,   1.681)  ( -0.484,   0.301,   1.681)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.960,  -0.223,  -0.119)  ( -3.960,  -0.223,  -0.119)  ( 0.00,  0.00,  0.00)
177:     electro (  0.833,  -0.247,   0.052)  (  0.833,  -0.247,   0.052)  ( 0.00,  0.00,  0.00)
177:  4       (  0.711,   2.002,  -4.913)  (  0.717,   2.008,  -4.907)  ( 0.45,  0.30,  0.13)
177:     bond    (  2.553,  -2.568,  -2.673)  (  2.558,  -2.564,  -2.668)  ( 0.18,  0.18,  0.19)
177:     angle   (  6.931,   6.816,   0.094)  (  6.933,   6.818,   0.096)  ( 0.02,  0.02,  0.01)
177:     torsion (  0.207,   1.182,  -0.937)  (  0.207,   1.182,  -0.937)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.964,  -2.417,  -1.160)  ( -8.963,  -2.417,  -1.160)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.017,  -1.011,  -0.237)  ( -0.017,  -1.011,  -0.237)  ( 0.00,  0.00,  0.00)
177:  5       ( -9.656,  -0.763,   3.225)  ( -9.654,  -0.760,   3.238)  ( 0.03,  0.25,  0.40)
177:     bond    (  0.268,  -0.904,   2.749)  (  0.268,  -0.902,   2.762)  ( 0.00,  0.12,  0.46)
177:     angle   ( -8.963,  -2.205,   0.150)  ( -8.960,  -2.203,   0.150)  ( 0.03,  0.08,  0.00)
177:     torsion ( -0.431,   3.040,   1.035)  ( -0.431,   3.040,   1.035)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.944,  -0.045,  -0.815)  ( -0.944,  -0.045,  -0.815)  ( 0.00,  0.00,  0.00)
177:     electro (  0.413,  -0.650,   0.106)  (  0.413,  -0.650,   0.106)  ( 0.00,  0.00,  0.00)
177:  6       (-36.959,  41.759,  10.918)  (-36.945,  41.776,  10.920)  ( 0.04,  0.04,  0.02)
177:     bond    (-35.916,  42.475,   9.669)  (-35.905,  42.491,   9.670)  ( 0.03,  0.04,  0.01)
177:     angle   ( 17.939,  12.987,   9.543)  ( 17.941,  12.988,   9.543)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.378,  -0.725,   1.780)  ( -0.378,  -0.725,   1.781)  ( 0.00,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.582, -23.931,  -9.878)  (-18.581, -23.931,  -9.877)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.021,  10.953,  -0.197)  ( -0.021,  10.953,  -0.197)  ( 0.00,  0.00,  0.00)
177:  7       (-199.429, 120.899, -77.246)  (-199.398, 120.930, -77.238)  ( 0.02,  0.03,  0.01)
177:     bond    ( 13.550, -89.413, -25.470)  ( 13.572, -89.390, -25.463)  ( 0.16,  0.03,  0.03)
177:     angle   (-210.716, 213.999, -68.344)  (-210.707, 214.006, -68.343)  ( 0.00,  0.00,  0.00)
177:     torsion ( -4.940,  -8.461,  21.084)  ( -4.940,  -8.461,  21.085)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.003,   3.819,   1.416)  (  8.003,   3.819,   1.416)  ( 0.00,  0.00,  0.00)
177:     electro ( -5.327,   0.956,  -5.932)  ( -5.327,   0.956,  -5.932)  ( 0.00,  0.00,  0.00)
177:  8       ( 17.829,  -6.420,  -8.233)  ( 17.839,  -6.411,  -8.232)  ( 0.06,  0.14,  0.02)
177:     bond    ( 11.126, -10.112,  -2.792)  ( 11.135, -10.104,  -2.792)  ( 0.08,  0.07,  0.02)
177:     angle   (  2.321,   2.490,   0.248)  (  2.323,   2.491,   0.248)  ( 0.07,  0.06,  0.02)
177:     torsion (  1.088,   3.350,  -7.788)  (  1.088,   3.350,  -7.788)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.125,  -0.148,  -0.002)  (  0.125,  -0.148,  -0.002)  ( 0.00,  0.00,  0.00)
177:     electro (  3.169,  -2.000,   2.101)  (  3.169,  -2.000,   2.101)  ( 0.00,  0.00,  0.00)
177:  9       (225.116, -321.223, 133.735)  (225.145, -321.196, 133.756)  ( 0.01,  0.01,  0.02)
177:     bond    ( -7.634, -53.638,  -8.757)  ( -7.613, -53.619,  -8.744)  ( 0.28,  0.04,  0.15)
177:     angle   (237.812, -267.792, 150.866)  (237.821, -267.785, 150.875)  ( 0.00,  0.00,  0.01)
177:     torsion ( -4.970,  -6.735, -10.679)  ( -4.970,  -6.735, -10.679)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.986,   8.543,   3.971)  (  1.986,   8.543,   3.971)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.078,  -1.601,  -1.667)  ( -2.078,  -1.601,  -1.667)  ( 0.00,  0.00,  0.00)
177: 10       ( 18.528, 116.935, -222.952)  ( 18.546, 116.955, -222.926)  ( 0.10,  0.02,  0.01)
177:     bond    (  2.883,  25.720,  65.467)  (  2.898,  25.734,  65.488)  ( 0.52,  0.05,  0.03)
177:     angle   (  6.976,  87.919, -281.200)  (  6.979,  87.924, -281.195)  ( 0.04,  0.01,  0.00)
177:     torsion ( -3.682,  -6.591, -12.371)  ( -3.682,  -6.591, -12.372)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.215,  13.749,   3.629)  ( 13.216,  13.749,   3.630)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.864,  -3.861,   1.523)  ( -0.864,  -3.861,   1.523)  ( 0.00,  0.00,  0.00)
177: 11       (-263.679, 218.198,  51.373)  (-263.650, 218.212,  51.399)  ( 0.01,  0.01,  0.05)
177:     bond    (-86.760,  50.952,  24.119)  (-86.735,  50.959,  24.136)  ( 0.03,  0.01,  0.07)
177:     angle   (-183.958, 105.187,  32.275)  (-183.954, 105.194,  32.283)  ( 0.00,  0.01,  0.03)
177:     torsion ( 11.442,  45.536, -10.233)  ( 11.442,  45.536, -10.232)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.258,   8.635,   3.973)  ( -4.258,   8.635,   3.973)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.145,   7.888,   1.239)  ( -0.145,   7.888,   1.239)  ( 0.00,  0.00,  0.00)
177: 12       ( 33.659, -29.203, -13.271)  ( 33.660, -29.198, -13.260)  ( 0.00,  0.02,  0.08)
177:     bond    ( -2.965, -10.550, -17.782)  ( -2.964, -10.546, -17.773)  ( 0.01,  0.03,  0.06)
177:     angle   ( 29.381, -16.906,   5.130)  ( 29.382, -16.904,   5.130)  ( 0.00,  0.01,  0.01)
177:     torsion (  2.468,  -2.830,   1.267)  (  2.468,  -2.830,   1.267)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.831,   3.273,  -1.575)  (  6.831,   3.273,  -1.575)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.057,  -2.191,  -0.311)  ( -2.057,  -2.191,  -0.311)  ( 0.00,  0.00,  0.00)
177: 13       ( 34.183, -87.299,  25.278)  ( 34.193, -87.289,  25.282)  ( 0.03,  0.01,  0.02)
177:     bond    ( 19.364, -72.216,  32.658)  ( 19.373, -72.208,  32.660)  ( 0.05,  0.01,  0.01)
177:     angle   ( 19.573, -26.239, -15.673)  ( 19.574, -26.237, -15.671)  ( 0.01,  0.01,  0.01)
177:     torsion ( -2.281,   5.380,  13.128)  ( -2.280,   5.380,  13.128)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.612,   3.838,  -4.037)  ( -2.611,   3.839,  -4.037)  ( 0.01,  0.00,  0.00)
177:     electro (  0.138,   1.937,  -0.798)  (  0.138,   1.937,  -0.798)  ( 0.00,  0.00,  0.00)
177: 14       (-146.962, -31.735,  70.658)  (-146.940, -31.723,  70.705)  ( 0.02,  0.04,  0.07)
177:     bond    ( 62.265,   2.720, -105.238)  ( 62.280,   2.728, -105.200)  ( 0.02,  0.27,  0.04)
177:     angle   (-199.845, -11.711, 169.340)  (-199.837, -11.707, 169.347)  ( 0.00,  0.04,  0.00)
177:     torsion ( -3.423, -15.710,   3.976)  ( -3.423, -15.710,   3.976)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.752,  -0.703,   4.859)  ( -9.752,  -0.703,   4.859)  ( 0.00,  0.00,  0.00)
177:     electro (  3.792,  -6.331,  -2.278)  (  3.792,  -6.331,  -2.278)  ( 0.00,  0.00,  0.00)
177: 15       ( 26.723,  -0.726, -10.858)  ( 26.726,  -0.714, -10.856)  ( 0.01,  0.94,  0.03)
177:     bond    ( -0.092,  -2.399,  -0.719)  ( -0.092,  -2.387,  -0.718)  ( 0.00,  0.53,  0.08)
177:     angle   ( 27.753,   2.469, -11.756)  ( 27.757,   2.469, -11.754)  ( 0.01,  0.01,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.584,   0.797,   0.768)  ( -2.584,   0.797,   0.768)  ( 0.00,  0.00,  0.00)
177:     electro (  1.645,  -1.594,   0.848)  (  1.645,  -1.594,   0.848)  ( 0.00,  0.00,  0.00)
177: 16       ( 62.434, -27.811,  26.947)  ( 62.438, -27.810,  26.973)  ( 0.01,  0.01,  0.10)
177:     bond    ( -3.261,  -2.027,  15.582)  ( -3.260,  -2.027,  15.608)  ( 0.03,  0.02,  0.16)
177:     angle   ( 64.819, -38.061,   8.596)  ( 64.821, -38.059,   8.596)  ( 0.00,  0.00,  0.00)
177:     torsion (  5.845,  10.205,   2.546)  (  5.845,  10.205,   2.546)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.040,  -0.891,   3.300)  ( -9.040,  -0.891,   3.300)  ( 0.00,  0.00,  0.00)
177:     electro (  4.070,   2.963,  -3.077)  (  4.070,   2.963,  -3.077)  ( 0.00,  0.00,  0.00)
177: 17       (-111.712, 155.037, -72.705)  (-111.687, 155.062, -72.679)  ( 0.02,  0.02,  0.03)
177:     bond    (-61.202,  38.262, -28.857)  (-61.186,  38.277, -28.840)  ( 0.03,  0.04,  0.06)
177:     angle   (-47.834, 110.585, -38.924)  (-47.825, 110.594, -38.915)  ( 0.02,  0.01,  0.02)
177:     torsion ( -2.088,   4.781,  -3.597)  ( -2.087,   4.781,  -3.597)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.438,   2.373,  -2.058)  ( -0.438,   2.373,  -2.058)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.150,  -0.964,   0.730)  ( -0.150,  -0.964,   0.730)  ( 0.00,  0.00,  0.00)
177: 18       ( 13.365, -88.460, -15.407)  ( 13.393, -88.432, -15.379)  ( 0.21,  0.03,  0.18)
177:     bond    ( 23.033, -22.454,  19.510)  ( 23.051, -22.435,  19.528)  ( 0.08,  0.08,  0.10)
177:     angle   ( -6.494, -32.659, -49.288)  ( -6.485, -32.649, -49.279)  ( 0.14,  0.03,  0.02)
177:     torsion ( -0.656, -30.683,  14.655)  ( -0.656, -30.683,  14.655)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.375,  -3.297,  -0.779)  (  2.376,  -3.297,  -0.779)  ( 0.01,  0.00,  0.01)
177:     electro ( -4.893,   0.633,   0.495)  ( -4.893,   0.633,   0.495)  ( 0.00,  0.00,  0.00)
177: 19       ( 47.130, -64.556, -23.523)  ( 47.157, -64.529, -23.496)  ( 0.06,  0.04,  0.11)
177:     bond    (  6.702,  -5.903, -10.312)  (  6.720,  -5.885, -10.294)  ( 0.28,  0.31,  0.18)
177:     angle   ( 35.929, -62.760,   8.488)  ( 35.937, -62.752,   8.496)  ( 0.02,  0.01,  0.09)
177:     torsion ( -4.275,  -1.779,  -0.880)  ( -4.275,  -1.779,  -0.880)  ( 0.00,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.580,   4.470, -19.699)  (  8.580,   4.470, -19.698)  ( 0.00,  0.00,  0.00)
177:     electro (  0.194,   1.417,  -1.119)  (  0.194,   1.417,  -1.119)  ( 0.00,  0.00,  0.00)
177: 20       ( 66.259,   1.063,  44.559)  ( 66.286,   1.090,  44.586)  ( 0.04,  2.51,  0.06)
177:     bond    ( 16.923,  12.912,  10.627)  ( 16.941,  12.930,  10.646)  ( 0.11,  0.14,  0.17)
177:     angle   ( 41.049, -17.605,  36.677)  ( 41.058, -17.597,  36.685)  ( 0.02,  0.04,  0.02)
177:     torsion (  4.433,  -3.963,  -2.662)  (  4.433,  -3.963,  -2.662)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.881,   8.342,   0.937)  (  3.882,   8.343,   0.937)  ( 0.00,  0.00,  0.01)
177:     electro ( -0.028,   1.377,  -1.020)  ( -0.028,   1.377,  -1.020)  ( 0.00,  0.00,  0.00)
177: 21       (161.649, -26.573, 179.307)  (161.666, -26.533, 179.332)  ( 0.01,  0.15,  0.01)
177:     bond    ( 94.358,  10.667, 108.046)  ( 94.370,  10.699, 108.064)  ( 0.01,  0.30,  0.02)
177:     angle   ( 77.084, -26.454,  48.484)  ( 77.089, -26.445,  48.490)  ( 0.01,  0.03,  0.01)
177:     torsion (  4.284,   1.677,  -0.546)  (  4.284,   1.677,  -0.545)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -9.887, -10.429,  18.556)  ( -9.887, -10.429,  18.557)  ( 0.00,  0.00,  0.00)
177:     electro ( -4.190,  -2.034,   4.766)  ( -4.190,  -2.034,   4.766)  ( 0.00,  0.00,  0.00)
177: 22       ( 16.326,  -2.093, -12.862)  ( 16.329,  -2.087, -12.851)  ( 0.02,  0.27,  0.09)
177:     bond    (  1.374,  -9.398, -16.143)  (  1.374,  -9.395, -16.132)  ( 0.01,  0.04,  0.06)
177:     angle   ( 13.409,   3.381,  -0.828)  ( 13.411,   3.383,  -0.828)  ( 0.02,  0.06,  0.05)
177:     torsion ( -2.701,   3.135,  -2.055)  ( -2.701,   3.135,  -2.056)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.563,   3.317,   4.624)  (  4.564,   3.317,   4.624)  ( 0.01,  0.00,  0.00)
177:     electro ( -0.319,  -2.527,   1.540)  ( -0.319,  -2.527,   1.540)  ( 0.00,  0.00,  0.00)
177: 23       (-128.902, -31.257, -143.473)  (-128.891, -31.236, -143.459)  ( 0.01,  0.07,  0.01)
177:     bond    (-109.862, -24.952, -130.010)  (-109.852, -24.937, -129.998)  ( 0.01,  0.06,  0.01)
177:     angle   (-20.264,   1.010, -19.757)  (-20.263,   1.015, -19.755)  ( 0.00,  0.53,  0.01)
177:     torsion ( -4.483,  -0.658,   3.897)  ( -4.482,  -0.658,   3.897)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.898,  -9.446,   3.735)  (  1.898,  -9.445,   3.735)  ( 0.00,  0.00,  0.00)
177:     electro (  3.808,   2.789,  -1.338)  (  3.808,   2.789,  -1.338)  ( 0.00,  0.00,  0.00)
177: 24       ( -8.341,   2.414,  -5.418)  ( -8.334,   2.421,  -5.413)  ( 0.09,  0.30,  0.08)
177:     bond    ( -6.765,   6.691,  -4.681)  ( -6.759,   6.697,  -4.679)  ( 0.09,  0.08,  0.06)
177:     angle   ( -5.987,  -8.347,  -3.300)  ( -5.986,  -8.345,  -3.298)  ( 0.02,  0.02,  0.05)
177:     torsion ( -0.111,   0.005,   0.168)  ( -0.111,   0.005,   0.168)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.529,   4.505,   1.876)  (  4.529,   4.505,   1.876)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.007,  -0.441,   0.519)  ( -0.007,  -0.441,   0.519)  ( 0.00,  0.00,  0.00)
177: 25       (-13.180,  -6.027,   0.187)  (-13.174,  -6.021,   0.194)  ( 0.04,  0.10,  0.14)
177:     bond    ( -6.492,  -6.842,   7.764)  ( -6.488,  -6.838,   7.769)  ( 0.06,  0.07,  0.07)
177:     angle   (-10.193,  -2.422, -10.642)  (-10.192,  -2.420, -10.641)  ( 0.01,  0.06,  0.01)
177:     torsion (  0.015,  -0.018,  -0.004)  (  0.015,  -0.018,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.489,   3.271,   2.934)  (  3.489,   3.271,   2.934)  ( 0.00,  0.00,  0.00)
177:     electro (  0.001,  -0.016,   0.136)  (  0.001,  -0.016,   0.136)  ( 0.00,  0.00,  0.00)
177: 26       ( -6.072,  -6.676, -11.912)  ( -6.068,  -6.669, -11.903)  ( 0.07,  0.10,  0.07)
177:     bond    (  4.340,  -7.274,  -8.578)  (  4.342,  -7.268,  -8.571)  ( 0.04,  0.07,  0.08)
177:     angle   (-14.802,  -2.793,  -5.131)  (-14.800,  -2.791,  -5.130)  ( 0.01,  0.05,  0.02)
177:     torsion ( -0.025,   0.231,  -0.209)  ( -0.025,   0.231,  -0.209)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.175,   3.216,   1.878)  (  4.175,   3.216,   1.878)  ( 0.00,  0.00,  0.00)
177:     electro (  0.239,  -0.056,   0.129)  (  0.239,  -0.056,   0.129)  ( 0.00,  0.00,  0.00)
177: 27       ( -7.930,   6.898,   0.377)  ( -7.923,   6.906,   0.381)  ( 0.10,  0.11,  0.16)
177:     bond    ( -7.674,   7.398,  -4.124)  ( -7.668,   7.404,  -4.122)  ( 0.08,  0.08,  0.05)
177:     angle   ( -4.404,   2.474,  12.635)  ( -4.403,   2.475,  12.637)  ( 0.02,  0.05,  0.02)
177:     torsion ( -0.939,  -0.873,   0.177)  ( -0.939,  -0.873,   0.177)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.164,  -1.720,  -8.316)  (  5.164,  -1.720,  -8.316)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.077,  -0.380,   0.004)  ( -0.077,  -0.380,   0.004)  ( 0.00,  0.00,  0.00)
177: 28       ( -1.673,  11.278,   8.469)  ( -1.664,  11.283,   8.474)  ( 0.50,  0.05,  0.06)
177:     bond    (  7.443,   5.640,   5.085)  (  7.450,   5.644,   5.088)  ( 0.09,  0.07,  0.06)
177:     angle   (-12.872,   8.560,   9.347)  (-12.871,   8.561,   9.348)  ( 0.01,  0.02,  0.02)
177:     torsion ( -0.163,   0.947,  -0.812)  ( -0.163,   0.947,  -0.812)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.057,  -3.384,  -5.345)  (  4.057,  -3.384,  -5.345)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.138,  -0.486,   0.195)  ( -0.138,  -0.486,   0.195)  ( 0.00,  0.00,  0.00)
177: 29       (-11.864,   1.706,  10.277)  (-11.860,   1.712,  10.285)  ( 0.04,  0.36,  0.08)
177:     bond    ( -6.333,  -7.421,   8.992)  ( -6.330,  -7.416,   8.999)  ( 0.05,  0.06,  0.07)
177:     angle   ( -7.898,  12.822,   5.013)  ( -7.897,  12.824,   5.014)  ( 0.02,  0.01,  0.02)
177:     torsion (  0.783,  -0.088,   0.479)  (  0.783,  -0.088,   0.479)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.664,  -3.431,  -4.196)  (  1.664,  -3.431,  -4.196)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.080,  -0.176,  -0.010)  ( -0.080,  -0.176,  -0.010)  ( 0.00,  0.00,  0.00)
177: 30       (  7.091,  27.558,   8.407)  (  7.093,  27.573,   8.409)  ( 0.03,  0.05,  0.02)
177:     bond    ( -5.489,  23.059,  -2.986)  ( -5.488,  23.073,  -2.985)  ( 0.02,  0.06,  0.01)
177:     angle   ( 17.936,   7.069,  21.658)  ( 17.937,   7.069,  21.659)  ( 0.01,  0.00,  0.01)
177:     torsion (  3.204,   0.402,  -2.785)  (  3.204,   0.402,  -2.785)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.559,  -2.971,  -7.481)  ( -8.559,  -2.971,  -7.481)  ( 0.00,  0.00,  0.00)
177: 31       (-22.391,  51.361, -14.964)  (-22.388,  51.382, -14.956)  ( 0.01,  0.04,  0.05)
177:     bond    (  6.860,  28.919,  15.644)  (  6.861,  28.939,  15.650)  ( 0.02,  0.07,  0.04)
177:     angle   (-41.399,  32.772, -42.455)  (-41.398,  32.773, -42.454)  ( 0.00,  0.00,  0.00)
177:     torsion ( -0.709,  -0.239,   0.753)  ( -0.709,  -0.239,   0.753)  ( 0.01,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.115, -10.092,   3.590)  (  3.115, -10.092,   3.590)  ( 0.00,  0.00,  0.00)
177:     electro (  9.743,   0.001,   7.505)  (  9.743,   0.001,   7.505)  ( 0.00,  0.00,  0.00)
177: ok 32 # gradients 
177: ok 33 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (  9.939,  -1.844,   0.003)  (  9.975,  -1.828,   0.032)  ( 0.36,  0.87,  0.01)
177:     bond    (  3.343,  -0.578,   0.071)  (  3.368,  -0.569,   0.092)  ( 0.74,  0.55,  0.15)
177:     angle   ( 31.094,  -5.861,  -0.074)  ( 31.105,  -5.859,  -0.069)  ( 0.03,  0.05,  0.04)
177:     torsion (  0.003,   0.006,  -0.008)  (  0.003,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
177:     oop     (  0.000,   0.002,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
177:     vdw     (-23.368,   4.375,   0.016)  (-23.367,   4.375,   0.016)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.134,   0.212,   0.001)  ( -1.134,   0.212,   0.001)  ( 0.00,  0.00,  0.00)
177:  2       ( 28.160,   0.299,   9.627)  ( 28.197,   0.315,   9.655)  ( 0.13,  0.47,  0.29)
177:     bond    ( 65.349, -12.154,   0.347)  ( 65.377, -12.146,   0.365)  ( 0.04,  0.07,  0.64)
177:     angle   (-20.964,   1.627,  -3.468)  (-20.956,   1.630,  -3.461)  ( 0.04,  0.21,  0.21)
177:     torsion ( -0.099,  -0.520,   0.342)  ( -0.099,  -0.517,   0.343)  ( 0.00,  0.18,  0.05)
177:     oop     ( -0.006,  -0.032,   0.021)  ( -0.006,  -0.031,   0.021)  ( 0.00,  0.00,  0.00)
177:     vdw     (-14.566,  12.237,  14.094)  (-14.566,  12.237,  14.095)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.554,  -0.858,  -1.709)  ( -1.554,  -0.858,  -1.709)  ( 0.00,  0.00,  0.00)
177:  3       (-45.505, -25.091, -54.783)  (-45.469, -25.075, -54.756)  ( 0.08,  0.06,  0.05)
177:     bond    (-27.912, -50.685, -84.497)  (-27.885, -50.676, -84.479)  ( 0.10,  0.02,  0.02)
177:     angle   (-31.895,  12.396,  11.675)  (-31.886,  12.399,  11.682)  ( 0.03,  0.03,  0.06)
177:     torsion (  0.506,   2.702,  -1.797)  (  0.507,   2.705,  -1.796)  ( 0.01,  0.12,  0.08)
177:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.729,  10.503,  19.852)  ( 13.730,  10.503,  19.852)  ( 0.00,  0.00,  0.00)
177:     electro (  0.064,  -0.017,  -0.009)  (  0.064,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
177:  4       (-100.866,  18.886,   0.220)  (-100.831,  18.902,   0.248)  ( 0.04,  0.09,  0.62)
177:     bond    (-146.522,  27.515,   0.261)  (-146.497,  27.525,   0.282)  ( 0.02,  0.03,  0.54)
177:     angle   ( 25.917,  -4.877,  -0.055)  ( 25.927,  -4.873,  -0.049)  ( 0.04,  0.08,  0.03)
177:     torsion ( -0.011,  -0.056,   0.029)  ( -0.011,  -0.053,   0.030)  ( 0.00,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.650,  -3.678,  -0.015)  ( 19.651,  -3.678,  -0.015)  ( 0.00,  0.00,  0.00)
177:     electro (  0.100,  -0.019,  -0.000)  (  0.100,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
177:  5       (-33.743,  39.837,  54.381)  (-33.706,  39.853,  54.408)  ( 0.11,  0.04,  0.05)
177:     bond    ( -7.951,  57.195,  84.198)  ( -7.923,  57.203,  84.216)  ( 0.35,  0.01,  0.02)
177:     angle   (-34.355,  -0.042, -11.650)  (-34.346,  -0.038, -11.643)  ( 0.02,  0.02,  0.06)
177:     torsion ( -0.473,  -2.543,   1.684)  ( -0.473,  -2.540,   1.686)  ( 0.01,  0.12,  0.08)
177:     oop     ( -0.002,  -0.010,   0.007)  ( -0.002,  -0.010,   0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.972, -14.754, -19.867)  (  8.972, -14.754, -19.866)  ( 0.00,  0.00,  0.00)
177:     electro (  0.066,  -0.008,   0.009)  (  0.066,  -0.008,   0.009)  ( 0.00,  0.00,  0.00)
177:  6       ( 26.431, -10.762,  -9.864)  ( 26.468, -10.746,  -9.836)  ( 0.14,  0.15,  0.28)
177:     bond    ( 65.571, -12.525,  -0.673)  ( 65.598, -12.516,  -0.654)  ( 0.04,  0.07,  1.25)
177:     angle   (-20.069,   6.056,   3.500)  (-20.061,   6.059,   3.507)  ( 0.04,  0.05,  0.20)
177:     torsion (  0.082,   0.448,  -0.301)  (  0.082,   0.451,  -0.299)  ( 0.00,  0.16,  0.05)
177:     oop     (  0.006,   0.030,  -0.021)  (  0.006,   0.031,  -0.020)  ( 0.00,  0.00,  0.00)
177:     vdw     (-18.022,  -6.133, -14.081)  (-18.022,  -6.133, -14.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -1.136,   1.362,   1.710)  ( -1.136,   1.362,   1.710)  ( 0.00,  0.00,  0.00)
177:  7       ( 43.541,  -7.873,  -0.219)  ( 43.576,  -7.844,  -0.204)  ( 0.08,  0.37,  0.33)
177:     bond    ( 62.966, -11.497,  -0.240)  ( 62.991, -11.476,  -0.232)  ( 0.04,  0.18,  0.18)
177:     angle   ( -8.473,   1.575,   0.022)  ( -8.463,   1.581,   0.026)  ( 0.12,  0.39,  0.01)
177:     torsion ( -0.001,  -0.004,   0.001)  ( -0.001,  -0.003,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.001)  ( -0.000,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.662,   2.000,  -0.002)  (-10.661,   2.000,  -0.001)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.290,   0.054,   0.000)  ( -0.290,   0.054,   0.000)  ( 0.00,  0.00,  0.00)
177:  8       (-21.512,   8.533,  -2.211)  (-21.475,   8.561,  -2.197)  ( 0.17,  0.33,  0.64)
177:     bond    (-14.149, -11.677,   8.514)  (-14.120, -11.658,   8.521)  ( 0.20,  0.16,  0.08)
177:     angle   (  3.182, -11.624,   6.552)  (  3.190, -11.617,   6.555)  ( 0.26,  0.06,  0.04)
177:     torsion (  0.078,   0.413,   0.693)  (  0.078,   0.415,   0.697)  ( 0.00,  0.06,  0.28)
177:     oop     ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
177:     vdw     (-10.303,  31.921, -18.294)  (-10.303,  31.922, -18.294)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.319,  -0.494,   0.334)  ( -0.319,  -0.494,   0.334)  ( 0.00,  0.00,  0.00)
177:  9       ( 48.973,   3.976,  -7.897)  ( 49.009,   4.004,  -7.883)  ( 0.08,  0.71,  0.17)
177:     bond    ( 14.699, -28.406,  15.232)  ( 14.727, -28.387,  15.238)  ( 0.19,  0.07,  0.04)
177:     angle   ( 10.705,   7.865,  -5.884)  ( 10.713,   7.872,  -5.882)  ( 0.07,  0.09,  0.04)
177:     torsion ( -0.002,  -0.014,  -0.025)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 23.330,  24.333, -17.077)  ( 23.331,  24.334, -17.077)  ( 0.00,  0.00,  0.00)
177:     electro (  0.241,   0.197,  -0.145)  (  0.241,   0.197,  -0.145)  ( 0.00,  0.00,  0.00)
177: 10       (-17.572,   3.303,   0.003)  (-17.551,   3.326,   0.014)  ( 0.12,  0.71,  0.00)
177:     bond    (-30.271,   5.697,  -0.018)  (-30.260,   5.718,  -0.010)  ( 0.04,  0.37,  0.01)
177:     angle   ( -9.557,   1.759,   0.022)  ( -9.549,   1.761,   0.022)  ( 0.09,  0.08,  0.00)
177:     torsion (  0.002,   0.010,   0.016)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 24.936,  -4.665,  -0.019)  ( 24.936,  -4.665,  -0.019)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.681,   0.502,   0.002)  ( -2.681,   0.502,   0.002)  ( 0.00,  0.00,  0.00)
177: 11       ( 43.607, -21.492,   7.803)  ( 43.645, -21.465,   7.816)  ( 0.09,  0.13,  0.17)
177:     bond    ( 23.408,  21.070, -15.181)  ( 23.439,  21.088, -15.174)  ( 0.13,  0.08,  0.04)
177:     angle   (  7.071, -11.144,   5.829)  (  7.078, -11.137,   5.832)  ( 0.11,  0.07,  0.04)
177:     torsion ( -0.004,  -0.020,  -0.035)  ( -0.004,  -0.019,  -0.031)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.002,  -0.004)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 12.978, -31.126,  17.049)  ( 12.978, -31.125,  17.049)  ( 0.00,  0.00,  0.00)
177:     electro (  0.154,  -0.270,   0.145)  (  0.154,  -0.270,   0.145)  ( 0.00,  0.00,  0.00)
177: 12       (-22.333,  -0.735,   2.460)  (-22.296,  -0.706,   2.474)  ( 0.16,  2.08,  0.57)
177:     bond    ( -8.286,  15.559,  -8.353)  ( -8.259,  15.579,  -8.346)  ( 0.33,  0.13,  0.08)
177:     angle   (  7.262,   9.568,  -6.515)  (  7.270,   9.575,  -6.513)  ( 0.12,  0.07,  0.04)
177:     torsion ( -0.075,  -0.398,  -0.671)  ( -0.075,  -0.397,  -0.667)  ( 0.00,  0.06,  0.27)
177:     oop     (  0.001,   0.007,   0.012)  (  0.001,   0.008,   0.013)  ( 0.00,  0.00,  0.00)
177:     vdw     (-21.116, -26.047,  18.320)  (-21.116, -26.047,  18.321)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.119,   0.576,  -0.333)  ( -0.119,   0.576,  -0.333)  ( 0.00,  0.00,  0.00)
177: 13       ( -3.438,  -4.662,   3.047)  ( -3.431,  -4.655,   3.051)  ( 0.21,  0.17,  0.14)
177:     bond    ( -3.155,  -3.471,   2.414)  ( -3.150,  -3.464,   2.417)  ( 0.16,  0.18,  0.12)
177:     angle   ( -1.327,   0.924,  -0.402)  ( -1.325,   0.925,  -0.401)  ( 0.16,  0.10,  0.01)
177:     torsion ( -0.010,  -0.054,  -0.092)  ( -0.010,  -0.054,  -0.091)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.656,  -1.568,   0.868)  (  0.656,  -1.568,   0.868)  ( 0.00,  0.00,  0.00)
177:     electro (  0.399,  -0.490,   0.264)  (  0.399,  -0.490,   0.264)  ( 0.00,  0.00,  0.00)
177: 14       ( -1.038,  -6.052,   3.764)  ( -1.032,  -6.042,   3.767)  ( 0.51,  0.16,  0.10)
177:     bond    (  1.964,  -3.904,   2.094)  (  1.966,  -3.895,   2.096)  ( 0.12,  0.24,  0.13)
177:     angle   ( -4.094,  -1.377,   1.278)  ( -4.091,  -1.377,   1.278)  ( 0.07,  0.03,  0.02)
177:     torsion (  0.005,   0.024,   0.041)  (  0.005,   0.025,   0.041)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.289,   0.109,  -0.100)  (  0.289,   0.109,  -0.100)  ( 0.00,  0.00,  0.00)
177:     electro (  0.800,  -0.904,   0.451)  (  0.800,  -0.904,   0.451)  ( 0.00,  0.00,  0.00)
177: 15       ( 39.547,  17.387,  40.717)  ( 39.575,  17.414,  40.744)  ( 0.07,  0.15,  0.07)
177:     bond    ( 13.148,  10.036,  18.899)  ( 13.166,  10.055,  18.918)  ( 0.14,  0.19,  0.10)
177:     angle   ( 18.212,   2.244,  10.544)  ( 18.220,   2.251,  10.551)  ( 0.05,  0.30,  0.07)
177:     torsion ( -0.087,  -0.474,   0.315)  ( -0.087,  -0.473,   0.315)  ( 0.00,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  7.697,   5.765,  11.093)  (  7.697,   5.765,  11.094)  ( 0.01,  0.00,  0.00)
177:     electro (  0.577,  -0.184,  -0.134)  (  0.577,  -0.184,  -0.134)  ( 0.00,  0.00,  0.00)
177: 16       (-21.609,   4.057,   0.045)  (-21.594,   4.059,   0.048)  ( 0.07,  0.05,  0.01)
177:     bond    ( -9.567,   1.788,   0.006)  ( -9.552,   1.789,   0.006)  ( 0.15,  0.03,  0.00)
177:     angle   (  0.003,   0.018,   0.026)  (  0.004,   0.019,   0.028)  ( 0.00,  0.00,  0.01)
177:     torsion ( -0.001,  -0.005,   0.003)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -8.832,   1.655,   0.008)  ( -8.832,   1.655,   0.008)  ( 0.00,  0.01,  0.00)
177:     electro ( -3.213,   0.602,   0.002)  ( -3.213,   0.602,   0.002)  ( 0.00,  0.00,  0.00)
177: 17       (-27.099,   9.944,   6.522)  (-27.093,   9.949,   6.531)  ( 0.02,  0.05,  0.14)
177:     bond    ( -2.971,   3.963,   5.094)  ( -2.968,   3.968,   5.102)  ( 0.09,  0.12,  0.15)
177:     angle   (  5.464,   0.715,   2.624)  (  5.467,   0.715,   2.625)  ( 0.05,  0.00,  0.02)
177:     torsion ( -0.047,  -0.247,   0.164)  ( -0.047,  -0.246,   0.164)  ( 0.00,  0.01,  0.00)
177:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.010,  -0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     (-34.109,   3.803,  -5.190)  (-34.108,   3.803,  -5.190)  ( 0.00,  0.00,  0.00)
177:     electro (  4.561,   1.700,   3.837)  (  4.561,   1.700,   3.837)  ( 0.00,  0.00,  0.00)
177: 18       ( 30.504, -30.620, -40.444)  ( 30.531, -30.594, -40.417)  ( 0.09,  0.09,  0.07)
177:     bond    (  8.498, -14.006, -18.729)  (  8.516, -13.988, -18.710)  ( 0.21,  0.13,  0.10)
177:     angle   ( 16.251,  -8.841, -10.464)  ( 16.259,  -8.834, -10.457)  ( 0.05,  0.08,  0.07)
177:     torsion (  0.079,   0.420,  -0.281)  (  0.079,   0.420,  -0.280)  ( 0.00,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  5.071,  -8.155, -11.104)  (  5.072,  -8.155, -11.103)  ( 0.01,  0.00,  0.00)
177:     electro (  0.605,  -0.037,   0.133)  (  0.605,  -0.037,   0.133)  ( 0.00,  0.00,  0.00)
177: 19       (-28.792,   0.611,  -6.408)  (-28.783,   0.615,  -6.399)  ( 0.03,  0.21,  0.14)
177:     bond    ( -4.128,  -2.571,  -5.000)  ( -4.122,  -2.569,  -4.992)  ( 0.13,  0.08,  0.16)
177:     angle   (  4.816,  -2.635,  -2.623)  (  4.818,  -2.635,  -2.623)  ( 0.04,  0.02,  0.02)
177:     torsion (  0.046,   0.249,  -0.167)  (  0.046,   0.250,  -0.167)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.011,   0.007)  ( 0.00,  0.00,  0.00)
177:     vdw     (-33.156,   8.814,   5.218)  (-33.155,   8.814,   5.218)  ( 0.00,  0.00,  0.00)
177:     electro (  3.632,  -3.234,  -3.843)  (  3.632,  -3.234,  -3.843)  ( 0.00,  0.00,  0.00)
177: 20       ( -1.417,   5.561,  -3.069)  ( -1.412,   5.572,  -3.065)  ( 0.32,  0.19,  0.14)
177:     bond    ( -1.679,   4.331,  -2.400)  ( -1.677,   4.341,  -2.397)  ( 0.09,  0.23,  0.13)
177:     angle   ( -1.475,  -0.360,   0.378)  ( -1.472,  -0.360,   0.379)  ( 0.21,  0.01,  0.01)
177:     torsion (  0.009,   0.049,   0.083)  (  0.009,   0.050,   0.084)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.004)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.178,   1.225,  -0.870)  (  1.178,   1.225,  -0.870)  ( 0.01,  0.00,  0.00)
177:     electro (  0.549,   0.313,  -0.265)  (  0.549,   0.313,  -0.265)  ( 0.00,  0.00,  0.00)
177: 21       (  1.256,   6.103,  -3.821)  (  1.264,   6.110,  -3.817)  ( 0.66,  0.11,  0.10)
177:     bond    (  3.309,   2.985,  -2.153)  (  3.315,   2.991,  -2.151)  ( 0.19,  0.17,  0.12)
177:     angle   ( -3.351,   2.788,  -1.285)  ( -3.350,   2.790,  -1.284)  ( 0.06,  0.05,  0.02)
177:     torsion ( -0.003,  -0.018,  -0.030)  ( -0.003,  -0.017,  -0.029)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.230,  -0.206,   0.099)  (  0.230,  -0.206,   0.099)  ( 0.00,  0.00,  0.00)
177:     electro (  1.072,   0.553,  -0.452)  (  1.072,   0.553,  -0.452)  ( 0.00,  0.00,  0.00)
177: 22       (  4.183,   6.263,  -8.296)  (  4.188,   6.272,  -8.290)  ( 0.12,  0.14,  0.06)
177:     bond    ( -3.539,   5.280,  -3.647)  ( -3.536,   5.287,  -3.644)  ( 0.09,  0.14,  0.10)
177:     angle   (  8.074,  -0.673,  -8.814)  (  8.075,  -0.672,  -8.812)  ( 0.02,  0.08,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.302,   1.409,   4.011)  ( -0.302,   1.409,   4.011)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.049,   0.248,   0.155)  ( -0.049,   0.248,   0.155)  ( 0.00,  0.00,  0.00)
177: 23       (  1.760,  -9.935,   3.608)  (  1.768,  -9.928,   3.612)  ( 0.42,  0.07,  0.11)
177:     bond    ( -4.804,  -4.755,   2.671)  ( -4.798,  -4.749,   2.673)  ( 0.13,  0.13,  0.07)
177:     angle   (  6.694,  -7.578,  -1.445)  (  6.695,  -7.577,  -1.443)  ( 0.02,  0.01,  0.14)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.003,   2.330,   2.074)  ( -0.003,   2.330,   2.074)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.127,   0.067,   0.308)  ( -0.127,   0.067,   0.308)  ( 0.00,  0.00,  0.00)
177: 24       ( 19.965,  -2.748,   0.181)  ( 19.972,  -2.743,   0.189)  ( 0.03,  0.18,  0.14)
177:     bond    (  4.537,  -3.942,  -5.382)  (  4.541,  -3.938,  -5.375)  ( 0.10,  0.09,  0.12)
177:     angle   (-13.992,  -2.615,  -9.907)  (-13.990,  -2.614,  -9.906)  ( 0.01,  0.06,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 30.374,   3.599,  15.457)  ( 30.375,   3.599,  15.457)  ( 0.00,  0.00,  0.00)
173: ok 999 # number of heavy atoms match
173: ok 1000 # number of heavy atoms match
173: ok 1001 # number of heavy atoms match
173: ok 1002 # number of heavy atoms match
173: ok 1003 # number of heavy atoms match
173: ok 1004 # number of heavy atoms match
173: ok 1005 # number of heavy atoms match
175/229 Test #173: test_cansmi_1 ....................   Passed   13.64 sec
test 179
        Start 179: test_ffmmff94_1

179: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "1"
179: Environment variables: 
179:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
179:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
179: Test timeout computed to be: 1500
177:     electro ( -0.954,   0.210,   0.013)  ( -0.954,   0.210,   0.013)  ( 0.00,  0.00,  0.00)
177: 25       (  1.717,  -7.297,   8.165)  (  1.725,  -7.292,   8.170)  ( 0.48,  0.07,  0.06)
177:     bond    ( -5.109,  -3.600,   3.593)  ( -5.102,  -3.596,   3.596)  ( 0.14,  0.10,  0.10)
177:     angle   (  7.750,  -2.293,   8.703)  (  7.751,  -2.291,   8.705)  ( 0.01,  0.08,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.787,  -1.191,  -3.976)  ( -0.787,  -1.191,  -3.976)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.137,  -0.213,  -0.155)  ( -0.137,  -0.213,  -0.155)  ( 0.00,  0.00,  0.00)
177: 26       ( 19.499,  -4.596,  -0.325)  ( 19.508,  -4.593,  -0.317)  ( 0.05,  0.07,  0.25)
177:     bond    (  5.574,   2.012,   5.268)  (  5.581,   2.013,   5.275)  ( 0.13,  0.05,  0.12)
177:     angle   (-12.096,   7.610,   9.892)  (-12.095,   7.612,   9.894)  ( 0.01,  0.03,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 26.986, -14.368, -15.473)  ( 26.987, -14.368, -15.473)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.965,   0.151,  -0.012)  ( -0.965,   0.151,  -0.012)  ( 0.00,  0.00,  0.00)
177: 27       (  5.268,   8.549,  -3.580)  (  5.272,   8.559,  -3.576)  ( 0.07,  0.13,  0.11)
177:     bond    ( -2.739,   6.061,  -2.633)  ( -2.737,   6.071,  -2.631)  ( 0.08,  0.17,  0.07)
177:     angle   (  9.010,   4.695,   1.457)  (  9.012,   4.695,   1.459)  ( 0.02,  0.01,  0.14)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.860,  -2.190,  -2.096)  ( -0.860,  -2.190,  -2.096)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.142,  -0.017,  -0.308)  ( -0.142,  -0.017,  -0.308)  ( 0.00,  0.00,  0.00)
177: ok 34 # gradients 
177: ok 35 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (217.209, 187.514, 330.409)  (217.234, 187.528, 330.435)  ( 0.01,  0.01,  0.01)
177:     bond    (211.685, 155.105, 283.667)  (211.703, 155.111, 283.687)  ( 0.01,  0.00,  0.01)
177:     angle   ( -3.964,  51.185,  16.965)  ( -3.958,  51.192,  16.972)  ( 0.14,  0.01,  0.04)
177:     torsion ( -2.356, -23.585,  13.663)  ( -2.356, -23.584,  13.663)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  8.690,   6.517,  14.239)  (  8.691,   6.517,  14.240)  ( 0.00,  0.00,  0.00)
177:     electro (  3.155,  -1.708,   1.874)  (  3.155,  -1.708,   1.874)  ( 0.00,  0.00,  0.00)
177:  2       (-126.283,  23.279,  78.476)  (-126.255,  23.305,  78.505)  ( 0.02,  0.11,  0.04)
177:     bond    (-83.933,  34.546,  58.541)  (-83.914,  34.565,  58.559)  ( 0.02,  0.05,  0.03)
177:     angle   (-25.194, -15.507,  -5.861)  (-25.186, -15.499,  -5.852)  ( 0.03,  0.05,  0.16)
177:     torsion ( -0.848,   3.185,   0.882)  ( -0.847,   3.186,   0.883)  ( 0.01,  0.01,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-16.236,   0.628,  23.904)  (-16.236,   0.628,  23.905)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.073,   0.426,   1.009)  ( -0.073,   0.426,   1.009)  ( 0.00,  0.00,  0.00)
177:  3       (-101.376, -91.619,  80.919)  (-101.347, -91.592,  80.946)  ( 0.03,  0.03,  0.03)
177:     bond    (-54.446, -68.193,  60.016)  (-54.428, -68.175,  60.035)  ( 0.03,  0.03,  0.03)
177:     angle   (-20.728, -10.594,   8.671)  (-20.719, -10.586,   8.679)  ( 0.04,  0.08,  0.10)
177:     torsion ( -0.882,  -2.521,  -0.598)  ( -0.882,  -2.520,  -0.598)  ( 0.04,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-25.166, -10.358,  12.532)  (-25.165, -10.358,  12.532)  ( 0.00,  0.00,  0.00)
179: # Testing MMFF94 Force Field...
177:     electro ( -0.154,   0.047,   0.298)  ( -0.154,   0.047,   0.298)  ( 0.00,  0.00,  0.00)
177:  4       ( -7.587,  36.159,  -0.492)  ( -7.564,  36.172,  -0.468)  ( 0.31,  0.04,  1.21)
177:     bond    (-11.839,  36.138,  -4.064)  (-11.823,  36.143,  -4.046)  ( 0.14,  0.01,  0.44)
177:     angle   ( 17.681,  -1.428,  19.899)  ( 17.688,  -1.421,  19.905)  ( 0.03,  0.51,  0.03)
177:     torsion ( -0.986,   6.062,   0.679)  ( -0.986,   6.063,   0.679)  ( 0.02,  0.01,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-11.762,  -4.223, -14.758)  (-11.761,  -4.223, -14.758)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.681,  -0.389,  -2.248)  ( -0.681,  -0.389,  -2.248)  ( 0.00,  0.00,  0.00)
177:  5       (113.406, -39.406, -104.121)  (113.433, -39.380, -104.093)  ( 0.02,  0.07,  0.03)
177:     bond    ( 80.632, -35.303, -58.525)  ( 80.651, -35.285, -58.507)  ( 0.02,  0.05,  0.03)
177:     angle   ( 14.870,  -2.308, -19.874)  ( 14.879,  -2.300, -19.865)  ( 0.06,  0.34,  0.05)
177:     torsion (  0.122,  -2.184,  -1.544)  (  0.123,  -2.184,  -1.543)  ( 0.00,  0.02,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 17.613,   0.250, -24.092)  ( 17.613,   0.250, -24.092)  ( 0.00,  0.00,  0.00)
177:     electro (  0.168,   0.139,  -0.086)  (  0.168,   0.139,  -0.086)  ( 0.00,  0.00,  0.00)
177:  6       ( 82.709,  70.383, -104.203)  ( 82.737,  70.410, -104.175)  ( 0.03,  0.04,  0.03)
177:     bond    ( 54.952,  69.597, -60.182)  ( 54.970,  69.616, -60.163)  ( 0.03,  0.03,  0.03)
177:     angle   ( -1.834,  -9.782, -31.818)  ( -1.825,  -9.774, -31.809)  ( 0.50,  0.08,  0.03)
177:     torsion (  2.726,   0.984,  -0.073)  (  2.727,   0.984,  -0.073)  ( 0.01,  0.04,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 26.430,   8.903, -12.275)  ( 26.431,   8.903, -12.275)  ( 0.00,  0.00,  0.00)
177:     electro (  0.434,   0.681,   0.145)  (  0.434,   0.681,   0.145)  ( 0.00,  0.00,  0.00)
177:  7       (-81.366, -64.293, -112.248)  (-81.339, -64.266, -112.220)  ( 0.03,  0.04,  0.02)
177:     bond    (-49.826, -55.720, -73.216)  (-49.807, -55.701, -73.197)  ( 0.04,  0.03,  0.03)
177:     angle   (-25.623,  -7.932, -31.950)  (-25.615,  -7.925, -31.942)  ( 0.03,  0.10,  0.03)
177:     torsion ( -0.025,   0.016,   0.004)  ( -0.025,   0.016,   0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.002,  -0.680,  -7.188)  ( -6.002,  -0.680,  -7.188)  ( 0.00,  0.00,  0.00)
177:     electro (  0.110,   0.023,   0.102)  (  0.110,   0.023,   0.102)  ( 0.00,  0.00,  0.00)
177:  8       (-84.909, -97.294, -211.537)  (-84.886, -97.258, -211.505)  ( 0.03,  0.04,  0.02)
177:     bond    (-64.569, -159.993, -205.131)  (-64.552, -159.963, -205.104)  ( 0.03,  0.02,  0.01)
177:     angle   (-21.580,   8.756,  34.671)  (-21.575,   8.761,  34.675)  ( 0.02,  0.06,  0.01)
177:     torsion (  0.086,  52.261, -45.427)  (  0.086,  52.262, -45.427)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.392,   1.198,   4.044)  (  1.392,   1.198,   4.044)  ( 0.01,  0.01,  0.00)
177:     electro ( -0.238,   0.483,   0.307)  ( -0.238,   0.483,   0.307)  ( 0.00,  0.00,  0.00)
177:  9       ( 47.135, -20.490, -79.746)  ( 47.138, -20.486, -79.727)  ( 0.01,  0.02,  0.02)
177:     bond    ( 23.650,  25.473, -69.737)  ( 23.653,  25.475, -69.719)  ( 0.01,  0.01,  0.03)
177:     angle   (  7.691, -29.676,  -8.234)  (  7.692, -29.675,  -8.234)  ( 0.01,  0.00,  0.00)
177:     torsion ( 10.115, -17.057,  -2.801)  ( 10.114, -17.057,  -2.801)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.061,   1.628,   4.528)  (  6.061,   1.628,   4.528)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.382,  -0.857,  -3.501)  ( -0.382,  -0.857,  -3.501)  ( 0.00,  0.00,  0.00)
177: 10       ( 22.449, -68.998,   4.633)  ( 22.451, -68.976,   4.636)  ( 0.01,  0.03,  0.05)
177:     bond    (  7.092, -71.602,  11.127)  (  7.093, -71.580,  11.128)  ( 0.01,  0.03,  0.01)
177:     angle   ( 25.125,  -1.719, -27.071)  ( 25.126,  -1.719, -27.069)  ( 0.01,  0.00,  0.01)
177:     torsion ( -6.304,   2.008,  16.933)  ( -6.304,   2.008,  16.933)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.779,   5.337,   5.446)  ( -3.778,   5.337,   5.446)  ( 0.01,  0.00,  0.00)
177:     electro (  0.314,  -3.023,  -1.802)  (  0.314,  -3.023,  -1.802)  ( 0.00,  0.00,  0.00)
177: 11       (-91.763,  -3.754,  31.627)  (-91.731,  -3.718,  31.634)  ( 0.04,  0.95,  0.02)
177:     bond    (-115.629,  31.876,  11.097)  (-115.607,  31.903,  11.099)  ( 0.02,  0.09,  0.02)
177:     angle   ( 40.424, -23.656,  -4.616)  ( 40.434, -23.649,  -4.615)  ( 0.02,  0.03,  0.02)
177:     torsion ( -3.029, -18.365,  20.747)  ( -3.029, -18.365,  20.751)  ( 0.00,  0.00,  0.02)
177:     oop     (  0.009,   0.135,  -0.575)  (  0.009,   0.135,  -0.575)  ( 0.00,  0.00,  0.01)
177:     vdw     (-16.945,   5.217,   3.707)  (-16.944,   5.217,   3.707)  ( 0.00,  0.00,  0.00)
177:     electro (  3.407,   1.040,   1.267)  (  3.407,   1.040,   1.267)  ( 0.00,  0.00,  0.00)
177: 12       (-16.917,   0.368,  -2.780)  (-16.880,   0.403,  -2.771)  ( 0.22,  1.29,  0.30)
177:     bond    ( -8.035, -13.185,  -3.327)  ( -8.007, -13.159,  -3.325)  ( 0.34,  0.20,  0.05)
177:     angle   (  6.508,  32.172,   7.826)  (  6.518,  32.180,   7.827)  ( 0.14,  0.03,  0.01)
177:     torsion (  0.011,   0.610,  -2.907)  (  0.011,   0.610,  -2.901)  ( 0.00,  0.02,  0.19)
177:     oop     ( -0.005,   0.065,  -0.288)  ( -0.005,   0.066,  -0.287)  ( 0.00,  0.00,  0.02)
177:     vdw     (-15.584, -19.036,  -3.769)  (-15.584, -19.036,  -3.769)  ( 0.00,  0.00,  0.00)
177:     electro (  0.187,  -0.259,  -0.316)  (  0.187,  -0.259,  -0.316)  ( 0.00,  0.00,  0.00)
177: 13       ( 11.270, -95.690, -41.525)  ( 11.309, -95.656, -41.516)  ( 0.34,  0.04,  0.02)
177:     bond    ( 28.466,  16.983,   3.015)  ( 28.496,  17.006,   3.017)  ( 0.11,  0.14,  0.06)
177:     angle   (  3.964, -95.948, -24.764)  (  3.972, -95.938, -24.764)  ( 0.19,  0.01,  0.00)
177:     torsion ( -0.141,   1.849,  -7.029)  ( -0.141,   1.849,  -7.023)  ( 0.00,  0.02,  0.08)
177:     oop     ( -0.018,   0.196,  -0.781)  ( -0.018,   0.196,  -0.780)  ( 0.00,  0.00,  0.06)
177:     vdw     (-21.669, -18.406, -11.846)  (-21.669, -18.406, -11.846)  ( 0.00,  0.00,  0.00)
177:     electro (  0.669,  -0.364,  -0.121)  (  0.669,  -0.364,  -0.121)  ( 0.00,  0.00,  0.00)
177: 14       (-140.188,  98.160,  73.920)  (-140.150,  98.198,  73.928)  ( 0.03,  0.04,  0.01)
177:     bond    (-82.770,  58.919,  18.111)  (-82.743,  58.946,  18.113)  ( 0.03,  0.05,  0.01)
177:     angle   (-60.873,  53.130,  19.549)  (-60.863,  53.140,  19.549)  ( 0.02,  0.02,  0.00)
177:     torsion ( -0.379, -11.956,  45.545)  ( -0.379, -11.955,  45.551)  ( 0.00,  0.00,  0.01)
177:     oop     (  0.007,  -0.075,   0.304)  (  0.007,  -0.075,   0.304)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.636,  -3.098,  -8.519)  (  6.637,  -3.098,  -8.519)  ( 0.01,  0.01,  0.00)
177:     electro ( -2.809,   1.240,  -1.070)  ( -2.809,   1.240,  -1.070)  ( 0.00,  0.00,  0.00)
177: 15       (232.724, 225.345,  56.880)  (232.765, 225.385,  56.890)  ( 0.02,  0.02,  0.02)
177:     bond    (208.431, 186.218,  54.498)  (208.462, 186.248,  54.502)  ( 0.01,  0.02,  0.01)
177:     angle   (  7.144,  16.209,  14.422)  (  7.154,  16.218,  14.423)  ( 0.14,  0.06,  0.01)
177:     torsion (  0.685,   3.522, -15.763)  (  0.685,   3.523, -15.757)  ( 0.01,  0.02,  0.03)
177:     oop     (  0.010,   0.195,  -0.759)  (  0.010,   0.195,  -0.758)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.014,  18.420,   4.425)  ( 19.014,  18.420,   4.425)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.560,   0.781,   0.056)  ( -2.560,   0.781,   0.056)  ( 0.00,  0.00,  0.00)
177: 16       (-27.321,  38.880,  -5.682)  (-27.282,  38.914,  -5.673)  ( 0.14,  0.09,  0.16)
177:     bond    ( 42.454,  -0.705,   1.999)  ( 42.484,  -0.682,   2.001)  ( 0.07,  1.62,  0.10)
177:     angle   (-46.803,  20.940,   4.807)  (-46.795,  20.950,   4.808)  ( 0.02,  0.05,  0.01)
177:     torsion (  0.606,   6.259, -22.040)  (  0.606,   6.259, -22.034)  ( 0.00,  0.01,  0.03)
177:     oop     ( -0.035,  -0.633,   2.435)  ( -0.035,  -0.633,   2.436)  ( 0.00,  0.00,  0.03)
177:     vdw     (-23.572,  13.279,   7.220)  (-23.571,  13.280,   7.220)  ( 0.00,  0.01,  0.00)
177:     electro (  0.029,  -0.261,  -0.103)  (  0.029,  -0.261,  -0.103)  ( 0.00,  0.00,  0.00)
177: 17       (-34.139,  -6.910,  -2.404)  (-34.120,  -6.891,  -2.401)  ( 0.06,  0.27,  0.15)
177:     bond    (-16.269,  56.492,   4.485)  (-16.253,  56.504,   4.485)  ( 0.10,  0.02,  0.00)
177:     angle   ( -8.391,  -9.142,   8.465)  ( -8.388,  -9.137,   8.467)  ( 0.04,  0.06,  0.02)
177:     torsion ( -0.305,  -1.435,   4.824)  ( -0.305,  -1.435,   4.825)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -6.781, -48.880, -28.596)  ( -6.781, -48.878, -28.596)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.393,  -3.945,   8.418)  ( -2.393,  -3.945,   8.418)  ( 0.00,  0.00,  0.00)
177: 18       (146.126, -63.992, -117.741)  (146.152, -63.966, -117.715)  ( 0.02,  0.04,  0.02)
177:     bond    ( 60.804, -67.609, -76.802)  ( 60.822, -67.592, -76.783)  ( 0.03,  0.03,  0.02)
177:     angle   ( 50.538,   6.452, -38.791)  ( 50.546,   6.461, -38.783)  ( 0.02,  0.14,  0.02)
177:     torsion (  1.410,  -0.020,  -3.542)  (  1.410,  -0.020,  -3.541)  ( 0.02,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 31.773,  -2.217,   1.567)  ( 31.774,  -2.217,   1.566)  ( 0.00,  0.00,  0.00)
177:     electro (  1.601,  -0.598,  -0.174)  (  1.601,  -0.598,  -0.174)  ( 0.00,  0.00,  0.00)
177: 19       (-12.259, -67.676, 112.616)  (-12.232, -67.650, 112.643)  ( 0.22,  0.04,  0.02)
177:     bond    ( -2.071, -43.907,  76.597)  ( -2.053, -43.888,  76.616)  ( 0.91,  0.04,  0.02)
177:     angle   (-16.897, -16.971,  31.218)  (-16.889, -16.963,  31.226)  ( 0.04,  0.04,  0.03)
177:     torsion ( -1.851,  -0.486,  -0.491)  ( -1.851,  -0.485,  -0.491)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  9.091,  -6.867,   5.637)  (  9.091,  -6.867,   5.637)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.531,   0.554,  -0.344)  ( -0.531,   0.554,  -0.344)  ( 0.00,  0.00,  0.00)
177: 20       (-413.734, -385.279, -145.698)  (-413.703, -385.240, -145.691)  ( 0.01,  0.01,  0.01)
177:     bond    (-403.589, -414.547, -130.803)  (-403.566, -414.518, -130.800)  ( 0.01,  0.01,  0.00)
177:     angle   ( 12.719,  44.244, -14.018)  ( 12.726,  44.252, -14.017)  ( 0.05,  0.02,  0.01)
177:     torsion ( -3.504,   1.828,   4.666)  ( -3.503,   1.828,   4.670)  ( 0.03,  0.01,  0.08)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-22.891, -15.051,  -5.706)  (-22.890, -15.050,  -5.706)  ( 0.00,  0.00,  0.00)
177:     electro (  3.530,  -1.753,   0.162)  (  3.530,  -1.753,   0.162)  ( 0.00,  0.00,  0.00)
177: 21       ( 69.031, 439.916,  27.194)  ( 69.050, 439.947,  27.199)  ( 0.03,  0.01,  0.02)
177:     bond    (105.109, 354.969,  20.611)  (105.119, 354.998,  20.612)  ( 0.01,  0.01,  0.01)
177:     angle   (-38.753,  59.524, -20.345)  (-38.746,  59.526, -20.344)  ( 0.02,  0.00,  0.00)
177:     torsion (-12.418,   1.804,  34.038)  (-12.418,   1.804,  34.040)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 19.702,  24.237,  -7.723)  ( 19.703,  24.238,  -7.723)  ( 0.01,  0.00,  0.00)
177:     electro ( -4.609,  -0.619,   0.613)  ( -4.609,  -0.619,   0.613)  ( 0.00,  0.00,  0.00)
177: 22       (-319.638, -256.278, -99.435)  (-319.607, -256.241, -99.429)  ( 0.01,  0.01,  0.01)
177:     bond    (-309.224, -196.267, -103.821)  (-309.200, -196.240, -103.818)  ( 0.01,  0.01,  0.00)
177:     angle   (  0.878, -118.814,  10.313)  (  0.885, -118.806,  10.312)  ( 0.62,  0.01,  0.01)
177:     torsion (  0.525,  -0.158,  -1.178)  (  0.526,  -0.158,  -1.175)  ( 0.02,  0.00,  0.22)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.918,  62.748,  -5.117)  (-12.918,  62.750,  -5.117)  ( 0.00,  0.00,  0.00)
177:     electro (  1.100,  -3.786,   0.369)  (  1.100,  -3.786,   0.369)  ( 0.00,  0.00,  0.00)
177: 23       ( 60.304,  68.497,  13.003)  ( 60.331,  68.534,  13.011)  ( 0.05,  0.05,  0.06)
177:     bond    (141.796, -93.271,  59.722)  (141.815, -93.242,  59.724)  ( 0.01,  0.03,  0.00)
177:     angle   (-104.386, 137.818, -48.662)  (-104.379, 137.825, -48.660)  ( 0.01,  0.01,  0.00)
177:     torsion (  1.522,  -0.256,  -4.043)  (  1.522,  -0.256,  -4.039)  ( 0.03,  0.00,  0.09)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 20.305,  23.042,   6.134)  ( 20.305,  23.042,   6.134)  ( 0.00,  0.00,  0.00)
177:     electro (  1.068,   1.164,  -0.149)  (  1.068,   1.164,  -0.149)  ( 0.00,  0.00,  0.00)
177: 24       (-67.290,  -9.475, -27.056)  (-67.249,  -9.439, -27.047)  ( 0.06,  0.38,  0.04)
177:     bond    (-30.633, -25.999, -10.170)  (-30.600, -25.974, -10.164)  ( 0.11,  0.10,  0.06)
177:     angle   (-40.862,  34.218, -18.476)  (-40.855,  34.229, -18.475)  ( 0.02,  0.03,  0.01)
177:     torsion ( -0.394,   0.036,   1.094)  ( -0.393,   0.036,   1.097)  ( 0.02,  0.00,  0.30)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 13.081, -11.814,   5.483)  ( 13.082, -11.814,   5.483)  ( 0.00,  0.00,  0.00)
177:     electro ( -8.482,  -5.916,  -4.988)  ( -8.482,  -5.916,  -4.988)  ( 0.00,  0.00,  0.00)
177: 25       (301.981, -105.140, 116.200)  (302.013, -105.103, 116.207)  ( 0.01,  0.04,  0.01)
177:     bond    (247.377,  -1.415,  95.326)  (247.401,  -1.391,  95.329)  ( 0.01,  1.69,  0.00)
177:     angle   (  9.935, -102.399,  11.221)  (  9.941, -102.388,  11.222)  ( 0.07,  0.01,  0.01)
177:     torsion ( 13.540,  -2.349, -35.450)  ( 13.541,  -2.349, -35.447)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 30.680, -16.006,  36.690)  ( 30.680, -16.003,  36.690)  ( 0.00,  0.02,  0.00)
177:     electro (  0.449,  17.028,   8.413)  (  0.449,  17.028,   8.413)  ( 0.00,  0.00,  0.00)
177: 26       (-48.127, -45.901, -29.735)  (-48.099, -45.868, -29.729)  ( 0.06,  0.07,  0.02)
177:     bond    (-163.266,   6.242, -62.884)  (-163.245,   6.266, -62.882)  ( 0.01,  0.38,  0.00)
177:     angle   (113.983, -50.151,  14.930)  (113.990, -50.142,  14.932)  ( 0.01,  0.02,  0.01)
177:     torsion ( -0.811,  -0.077,   1.712)  ( -0.811,  -0.077,   1.714)  ( 0.02,  0.00,  0.10)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.135,  -1.084,  16.039)  (  2.135,  -1.084,  16.039)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.168,  -0.831,   0.468)  ( -0.168,  -0.831,   0.468)  ( 0.00,  0.00,  0.00)
177: 27       (215.505, 204.878,  65.902)  (215.528, 204.903,  65.906)  ( 0.01,  0.01,  0.01)
177:     bond    (178.269,  51.348,  64.154)  (178.290,  51.364,  64.157)  ( 0.01,  0.03,  0.00)
177:     angle   ( 32.662, 155.314,   0.163)  ( 32.664, 155.322,   0.163)  ( 0.01,  0.01,  0.00)
177:     torsion (  0.325,  -0.050,  -0.859)  (  0.325,  -0.050,  -0.857)  ( 0.01,  0.00,  0.12)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.602,  -4.752,   2.472)  (  3.602,  -4.752,   2.472)  ( 0.01,  0.00,  0.00)
177:     electro (  0.647,   3.018,  -0.028)  (  0.647,   3.018,  -0.028)  ( 0.00,  0.00,  0.00)
177: 28       ( 79.090, -164.187,  43.019)  ( 79.122, -164.151,  43.028)  ( 0.04,  0.02,  0.02)
177:     bond    ( 29.223,  52.556,   7.122)  ( 29.247,  52.583,   7.125)  ( 0.08,  0.05,  0.05)
177:     angle   ( 52.488, -224.762,  35.854)  ( 52.495, -224.753,  35.856)  ( 0.01,  0.00,  0.01)
177:     torsion ( -0.555,   0.089,   1.476)  ( -0.554,   0.089,   1.479)  ( 0.02,  0.00,  0.19)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.194,   1.911,  -1.050)  ( -1.194,   1.911,  -1.050)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.872,   6.019,  -0.383)  ( -0.872,   6.019,  -0.383)  ( 0.00,  0.00,  0.00)
177: 29       (-19.992,  10.306,  -8.017)  (-19.972,  10.313,  -8.013)  ( 0.10,  0.07,  0.05)
177:     bond    (-23.634,   9.974,  -9.891)  (-23.614,   9.978,  -9.888)  ( 0.08,  0.04,  0.04)
177:     angle   (  4.940,  12.856,   1.179)  (  4.940,  12.859,   1.179)  ( 0.01,  0.03,  0.00)
177:     torsion (  0.275,  -0.037,  -0.696)  (  0.275,  -0.037,  -0.695)  ( 0.00,  0.00,  0.05)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.348, -10.851,  -0.672)  ( -3.348, -10.850,  -0.672)  ( 0.00,  0.00,  0.00)
177:     electro (  1.774,  -1.636,   2.064)  (  1.774,  -1.636,   2.064)  ( 0.00,  0.00,  0.00)
177: 30       ( 28.568, 118.247,   2.614)  ( 28.595, 118.276,   2.641)  ( 0.10,  0.02,  1.02)
177:     bond    ( 26.025,   1.138,   9.660)  ( 26.044,   1.157,   9.680)  ( 0.07,  1.67,  0.20)
177:     angle   ( -2.031, 105.588,  -8.649)  ( -2.023, 105.597,  -8.642)  ( 0.39,  0.01,  0.08)
177:     torsion ( -0.265,   0.055,   0.711)  ( -0.265,   0.055,   0.711)  ( 0.00,  0.00,  0.03)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.833,  12.485,   0.837)  (  4.833,  12.485,   0.837)  ( 0.00,  0.00,  0.00)
177:     electro (  0.006,  -1.018,   0.054)  (  0.006,  -1.018,   0.054)  ( 0.00,  0.00,  0.00)
177: 31       (-118.008, -29.322,  76.846)  (-117.980, -29.294,  76.872)  ( 0.02,  0.09,  0.03)
177:     bond    (-60.072,  25.033,  41.153)  (-60.053,  25.052,  41.171)  ( 0.03,  0.07,  0.04)
177:     angle   (-57.334, -58.998,  31.573)  (-57.325, -58.989,  31.580)  ( 0.01,  0.01,  0.02)
177:     torsion ( -0.243,   0.254,   1.067)  ( -0.243,   0.254,   1.068)  ( 0.01,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,   4.364,   3.091)  ( -0.358,   4.364,   3.091)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.002,   0.024,  -0.038)  ( -0.002,   0.024,  -0.038)  ( 0.00,  0.00,  0.00)
177: 32       ( 21.941,  96.497, -38.091)  ( 21.968,  96.524, -38.065)  ( 0.12,  0.03,  0.07)
177:     bond    (  6.399,  78.046, -23.251)  (  6.418,  78.064, -23.233)  ( 0.29,  0.02,  0.08)
177:     angle   ( 17.859,  16.298, -11.339)  ( 17.867,  16.307, -11.331)  ( 0.04,  0.05,  0.07)
177:     torsion (  0.103,   1.410,  -0.517)  (  0.103,   1.410,  -0.517)  ( 0.00,  0.02,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.984,   0.260,  -2.257)  ( -1.984,   0.260,  -2.257)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.436,   0.483,  -0.726)  ( -0.436,   0.483,  -0.726)  ( 0.00,  0.00,  0.00)
177: 33       ( -0.203, -82.320, -65.334)  ( -0.177, -82.294, -65.307)  ( 0.54,  0.03,  0.04)
177:     bond    (  0.483, -51.986, -43.271)  (  0.502, -51.967, -43.253)  ( 0.92,  0.04,  0.04)
177:     angle   (  0.825, -30.598, -10.208)  (  0.833, -30.590, -10.201)  ( 0.59,  0.03,  0.07)
177:     torsion (  0.419,  -0.019,   0.041)  (  0.420,  -0.019,   0.041)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.518,   0.166, -11.482)  ( -1.518,   0.166, -11.481)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.414,   0.116,  -0.413)  ( -0.414,   0.116,  -0.413)  ( 0.00,  0.00,  0.00)
177: 34       ( 28.189, -56.951,  -1.521)  ( 28.193, -56.938,  -1.518)  ( 0.02,  0.02,  0.17)
177:     bond    ( 22.740, -62.102,   3.059)  ( 22.742, -62.090,   3.059)  ( 0.01,  0.02,  0.01)
177:     angle   (  8.629,   2.796,  -7.421)  (  8.631,   2.796,  -7.419)  ( 0.03,  0.01,  0.03)
177:     torsion (  0.979,   0.305,  -1.082)  (  0.979,   0.305,  -1.082)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.351,   1.650,   3.098)  ( -4.351,   1.650,   3.098)  ( 0.00,  0.00,  0.00)
177:     electro (  0.192,   0.402,   0.825)  (  0.192,   0.402,   0.825)  ( 0.00,  0.00,  0.00)
177: 35       ( 23.961,  22.658, -58.454)  ( 23.965,  22.662, -58.442)  ( 0.01,  0.02,  0.02)
177:     bond    ( 15.695,  24.384, -60.652)  ( 15.696,  24.386, -60.640)  ( 0.01,  0.01,  0.02)
177:     angle   ( 12.639,  -1.024,   2.860)  ( 12.642,  -1.022,   2.861)  ( 0.02,  0.18,  0.02)
177:     torsion ( -0.438,   0.017,  -0.107)  ( -0.438,   0.017,  -0.107)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.537,  -1.666,  -1.662)  ( -4.537,  -1.666,  -1.662)  ( 0.00,  0.00,  0.00)
177:     electro (  0.603,   0.947,   1.106)  (  0.603,   0.947,   1.106)  ( 0.00,  0.00,  0.00)
177: 36       ( 63.903,   1.291,  -9.759)  ( 63.917,   1.294,  -9.756)  ( 0.02,  0.20,  0.03)
177:     bond    ( 65.790,  -3.836,  -9.623)  ( 65.804,  -3.836,  -9.622)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.500,   5.235,  -5.508)  ( -0.500,   5.237,  -5.506)  ( 0.00,  0.04,  0.04)
177:     torsion ( -0.009,  -0.753,   0.237)  ( -0.009,  -0.753,   0.237)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.878,   0.527,   4.101)  ( -0.878,   0.527,   4.101)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.499,   0.119,   1.034)  ( -0.499,   0.119,   1.034)  ( 0.00,  0.00,  0.00)
177: 37       ( -9.271,  60.648,  -9.108)  ( -9.268,  60.661,  -9.105)  ( 0.04,  0.02,  0.03)
177:     bond    (-17.431,  62.884,  -7.653)  (-17.430,  62.897,  -7.652)  ( 0.01,  0.02,  0.01)
177:     angle   (  8.734,   1.467,  -7.843)  (  8.736,   1.467,  -7.841)  ( 0.02,  0.01,  0.03)
177:     torsion (  1.973,   0.481,  -0.542)  (  1.973,   0.481,  -0.542)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.279,  -4.010,   5.533)  ( -2.279,  -4.010,   5.533)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.268,  -0.174,   1.397)  ( -0.268,  -0.174,   1.397)  ( 0.00,  0.00,  0.00)
177: 38       (-16.458, -18.347,  59.777)  (-16.455, -18.343,  59.789)  ( 0.02,  0.02,  0.02)
177:     bond    (-14.915, -23.631,  60.460)  (-14.914, -23.629,  60.472)  ( 0.01,  0.01,  0.02)
177:     angle   ( -6.543,   3.669,  -0.179)  ( -6.540,   3.671,  -0.179)  ( 0.04,  0.05,  0.01)
177:     torsion (  0.344,  -0.544,  -0.128)  (  0.344,  -0.544,  -0.128)  ( 0.00,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  3.903,   1.685,  -0.006)  (  3.903,   1.685,  -0.006)  ( 0.00,  0.00,  0.00)
177:     electro (  0.753,   0.475,  -0.371)  (  0.753,   0.475,  -0.371)  ( 0.00,  0.00,  0.00)
177: 39       (-25.095,  56.685,   3.665)  (-25.091,  56.698,   3.668)  ( 0.02,  0.02,  0.07)
177:     bond    (-22.755,  61.554,  -3.326)  (-22.753,  61.566,  -3.326)  ( 0.01,  0.02,  0.01)
177:     angle   ( -9.216,  -3.000,   7.499)  ( -9.213,  -3.000,   7.501)  ( 0.02,  0.01,  0.03)
177:     torsion ( -0.769,  -0.189,   1.757)  ( -0.769,  -0.189,   1.757)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.660,  -1.802,  -2.186)  (  6.660,  -1.802,  -2.186)  ( 0.00,  0.00,  0.00)
177:     electro (  0.985,   0.123,  -0.078)  (  0.985,   0.123,  -0.078)  ( 0.00,  0.00,  0.00)
177: 40       (-65.919,  -0.873,  16.880)  (-65.906,  -0.870,  16.884)  ( 0.02,  0.22,  0.02)
177:     bond    (-66.810,   3.375,  10.478)  (-66.796,   3.376,  10.478)  ( 0.02,  0.01,  0.01)
177:     angle   (  1.413,  -5.003,  10.616)  (  1.413,  -5.001,  10.618)  ( 0.01,  0.04,  0.02)
177:     torsion ( -0.080,  -0.246,  -0.431)  ( -0.080,  -0.246,  -0.431)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.119,  -0.016,  -3.644)  ( -0.119,  -0.016,  -3.644)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.323,   1.018,  -0.138)  ( -0.323,   1.018,  -0.138)  ( 0.00,  0.00,  0.00)
177: 41       ( 12.030, -60.568,  14.896)  ( 12.034, -60.555,  14.899)  ( 0.03,  0.02,  0.02)
177:     bond    ( 18.258, -63.191,   7.895)  ( 18.259, -63.178,   7.896)  ( 0.01,  0.02,  0.01)
177:     angle   ( -7.961,  -0.960,  10.725)  ( -7.959,  -0.960,  10.727)  ( 0.02,  0.02,  0.02)
177:     torsion ( -0.871,  -0.147,   0.836)  ( -0.871,  -0.147,   0.836)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.556,   3.027,  -5.023)  (  2.556,   3.028,  -5.023)  ( 0.00,  0.00,  0.00)
177:     electro (  0.049,   0.702,   0.463)  (  0.049,   0.702,   0.463)  ( 0.00,  0.00,  0.00)
177: 42       ( -9.460,  56.170,   5.244)  ( -9.457,  56.183,   5.247)  ( 0.04,  0.02,  0.05)
177:     bond    (-16.292,  56.900,  -2.500)  (-16.291,  56.913,  -2.500)  ( 0.01,  0.02,  0.01)
177:     angle   (  9.866,   3.363,  12.263)  (  9.868,   3.363,  12.266)  ( 0.02,  0.00,  0.02)
177:     torsion ( -0.024,  -0.006,   0.020)  ( -0.023,  -0.006,   0.020)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -2.417,  -3.477,  -3.780)  ( -2.417,  -3.477,  -3.780)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.594,  -0.611,  -0.759)  ( -0.594,  -0.611,  -0.759)  ( 0.00,  0.00,  0.00)
177: 43       ( 58.073,  -1.976,   2.889)  ( 58.087,  -1.973,   2.891)  ( 0.02,  0.13,  0.10)
177:     bond    ( 58.666,  -3.179,  -7.229)  ( 58.680,  -3.178,  -7.228)  ( 0.02,  0.01,  0.01)
177:     angle   (  1.855,   1.963,  14.192)  (  1.855,   1.965,  14.195)  ( 0.00,  0.11,  0.02)
177:     torsion (  0.010,  -0.247,   0.188)  (  0.010,  -0.247,   0.188)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.755,  -0.423,  -3.552)  ( -1.755,  -0.423,  -3.552)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.703,  -0.090,  -0.712)  ( -0.703,  -0.090,  -0.712)  ( 0.00,  0.00,  0.00)
177: 44       ( -2.553, -17.136,  55.620)  ( -2.550, -17.132,  55.633)  ( 0.12,  0.02,  0.02)
177:     bond    (-11.943, -20.711,  54.183)  (-11.942, -20.709,  54.195)  ( 0.01,  0.01,  0.02)
177:     angle   ( 12.833,   4.621,   4.594)  ( 12.835,   4.623,   4.595)  ( 0.02,  0.04,  0.01)
177:     torsion (  0.297,  -0.227,  -0.021)  (  0.297,  -0.227,  -0.021)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.070,  -0.743,  -2.352)  ( -3.070,  -0.743,  -2.352)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.671,  -0.076,  -0.784)  ( -0.671,  -0.076,  -0.784)  ( 0.00,  0.00,  0.00)
177: 45       ( 27.102,  34.168,   8.332)  ( 27.110,  34.177,   8.334)  ( 0.03,  0.03,  0.02)
177:     bond    ( 31.075,  30.987,   6.962)  ( 31.082,  30.994,   6.962)  ( 0.02,  0.02,  0.01)
177:     angle   ( -4.082,   3.876,   0.958)  ( -4.081,   3.877,   0.958)  ( 0.04,  0.04,  0.01)
177:     torsion ( -0.015,   0.166,  -0.674)  ( -0.015,   0.166,  -0.673)  ( 0.00,  0.00,  0.09)
177:     oop     (  0.003,  -0.054,   0.224)  (  0.003,  -0.054,   0.224)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.670,  -2.499,   0.018)  (  1.670,  -2.499,   0.018)  ( 0.01,  0.00,  0.00)
177:     electro ( -1.550,   1.693,   0.844)  ( -1.550,   1.693,   0.844)  ( 0.00,  0.00,  0.00)
177: 46       (  1.997,  42.527,  11.125)  (  2.002,  42.540,  11.127)  ( 0.24,  0.03,  0.02)
177:     bond    ( -7.218,  36.059,   9.415)  ( -7.217,  36.072,   9.416)  ( 0.01,  0.04,  0.01)
177:     angle   ( 33.747,   6.444,   1.182)  ( 33.751,   6.444,   1.182)  ( 0.01,  0.00,  0.00)
177:     torsion (  0.021,  -0.670,   2.582)  (  0.021,  -0.670,   2.583)  ( 0.00,  0.01,  0.05)
177:     oop     (  0.010,  -0.092,   0.361)  (  0.010,  -0.092,   0.361)  ( 0.00,  0.00,  0.00)
177:     vdw     (-23.961,  -0.589,  -2.766)  (-23.960,  -0.589,  -2.766)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.603,   1.374,   0.352)  ( -0.603,   1.374,   0.352)  ( 0.00,  0.00,  0.00)
177: 47       (  9.288, -38.945, -13.120)  (  9.293, -38.932, -13.118)  ( 0.05,  0.03,  0.02)
177:     bond    ( 11.188, -38.851, -10.799)  ( 11.189, -38.839, -10.798)  ( 0.01,  0.03,  0.01)
177:     angle   ( 14.206,   3.896,   0.711)  ( 14.210,   3.896,   0.711)  ( 0.02,  0.01,  0.00)
177:     torsion ( -0.076,   1.280,  -4.685)  ( -0.076,   1.281,  -4.684)  ( 0.00,  0.01,  0.03)
177:     oop     (  0.019,   0.262,  -0.924)  (  0.019,   0.262,  -0.924)  ( 0.00,  0.00,  0.01)
177:     vdw     (-16.315,  -5.485,   2.850)  (-16.314,  -5.485,   2.850)  ( 0.00,  0.00,  0.00)
177:     electro (  0.265,  -0.047,  -0.273)  (  0.265,  -0.047,  -0.273)  ( 0.00,  0.00,  0.00)
177: 48       (-60.403,  -5.035,  21.722)  (-60.390,  -5.032,  21.726)  ( 0.02,  0.06,  0.01)
177:     bond    (-64.105,  -1.676,  15.103)  (-64.092,  -1.676,  15.104)  ( 0.02,  0.02,  0.01)
177:     angle   (  1.444,  -3.785,   5.707)  (  1.444,  -3.783,   5.710)  ( 0.01,  0.06,  0.04)
177:     torsion (  0.505,   0.134,   2.158)  (  0.505,   0.134,   2.158)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.001,   0.692,  -0.603)  ( -0.001,   0.692,  -0.603)  ( 0.00,  0.00,  0.00)
177:     electro (  1.754,  -0.400,  -0.643)  (  1.754,  -0.400,  -0.643)  ( 0.00,  0.00,  0.00)
177: 49       (  6.656,  15.165,  51.683)  (  6.661,  15.170,  51.692)  ( 0.08,  0.03,  0.02)
177:     bond    ( 22.852,  22.698,  38.776)  ( 22.855,  22.701,  38.784)  ( 0.01,  0.01,  0.02)
177:     angle   (-29.656,  -3.057,  19.263)  (-29.655,  -3.055,  19.263)  ( 0.01,  0.07,  0.00)
177:     torsion (  0.273,   0.567,  -0.493)  (  0.274,   0.567,  -0.493)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 11.331,  -3.920,  -4.538)  ( 11.332,  -3.920,  -4.538)  ( 0.00,  0.00,  0.00)
177:     electro (  1.856,  -1.123,  -1.324)  (  1.856,  -1.123,  -1.324)  ( 0.00,  0.00,  0.00)
177: 50       (-19.312,  60.730,  -2.431)  (-19.308,  60.742,  -2.429)  ( 0.02,  0.02,  0.11)
177:     bond    (-22.985,  58.803,   4.459)  (-22.983,  58.816,   4.459)  ( 0.01,  0.02,  0.01)
177:     angle   (  3.694,   2.016,  -7.548)  (  3.695,   2.016,  -7.546)  ( 0.05,  0.01,  0.03)
177:     torsion (  0.076,   0.028,   0.025)  (  0.076,   0.028,   0.025)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.302,  -0.163,   0.422)  ( -0.302,  -0.163,   0.422)  ( 0.00,  0.00,  0.00)
177:     electro (  0.205,   0.045,   0.211)  (  0.205,   0.045,   0.211)  ( 0.00,  0.00,  0.00)
177: 51       ( 53.698,   9.523, -25.687)  ( 53.711,   9.525, -25.684)  ( 0.02,  0.03,  0.01)
177:     bond    ( 54.442,   4.355, -16.447)  ( 54.455,   4.355, -16.445)  ( 0.02,  0.01,  0.01)
177:     angle   ( -6.098,  11.773, -17.075)  ( -6.098,  11.775, -17.073)  ( 0.00,  0.02,  0.01)
177:     torsion ( -0.007,  -0.072,  -0.041)  ( -0.007,  -0.072,  -0.041)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  4.822,  -6.594,   7.573)  (  4.822,  -6.594,   7.573)  ( 0.00,  0.00,  0.00)
177:     electro (  0.538,   0.061,   0.303)  (  0.538,   0.061,   0.303)  ( 0.00,  0.00,  0.00)
177: 52       (-27.923, -23.350, -51.173)  (-27.918, -23.345, -51.164)  ( 0.02,  0.02,  0.02)
177:     bond    (-31.596, -29.504, -46.330)  (-31.592, -29.500, -46.323)  ( 0.01,  0.01,  0.02)
177:     angle   (  3.410,   6.639,  -6.557)  (  3.412,   6.641,  -6.556)  ( 0.04,  0.03,  0.02)
177:     torsion ( -0.166,   0.111,   0.042)  ( -0.166,   0.111,   0.042)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.262,  -0.833,   1.812)  (  0.262,  -0.833,   1.812)  ( 0.00,  0.00,  0.00)
177:     electro (  0.167,   0.237,  -0.139)  (  0.167,   0.237,  -0.139)  ( 0.00,  0.00,  0.00)
177: 53       ( 12.631, -21.243,  -9.249)  ( 12.635, -21.226,  -9.248)  ( 0.03,  0.08,  0.01)
177:     bond    (  1.828, -15.373,   2.162)  (  1.828, -15.357,   2.162)  ( 0.01,  0.11,  0.01)
177:     angle   (  8.565,   1.417,   2.819)  (  8.568,   1.417,   2.819)  ( 0.04,  0.01,  0.02)
177:     torsion (  1.344,  -0.306,  -3.313)  (  1.344,  -0.306,  -3.312)  ( 0.01,  0.00,  0.02)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.500,   1.282,   1.201)  (  0.500,   1.282,   1.201)  ( 0.00,  0.00,  0.00)
177:     electro (  0.394,  -8.262, -12.118)  (  0.394,  -8.262, -12.118)  ( 0.00,  0.00,  0.00)
177: 54       (-14.784, -53.918,  -1.022)  (-14.780, -53.905,  -1.020)  ( 0.03,  0.02,  0.23)
177:     bond    (-18.551, -53.271,  -2.633)  (-18.549, -53.258,  -2.632)  ( 0.01,  0.02,  0.01)
177:     angle   (  1.160,  -0.437,   0.650)  (  1.162,  -0.437,   0.652)  ( 0.18,  0.01,  0.13)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.402,  -0.248,   0.900)  (  2.402,  -0.248,   0.900)  ( 0.00,  0.00,  0.00)
177:     electro (  0.204,   0.038,   0.061)  (  0.204,   0.038,   0.061)  ( 0.00,  0.00,  0.00)
177: 55       (-30.552,  23.822,  40.548)  (-30.546,  23.827,  40.555)  ( 0.02,  0.02,  0.02)
177:     bond    (-33.370,  29.535,  35.300)  (-33.365,  29.539,  35.305)  ( 0.02,  0.01,  0.02)
177:     angle   ( -0.150,  -6.357,   5.176)  ( -0.149,  -6.355,   5.177)  ( 0.02,  0.02,  0.03)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  2.225,   1.329,  -0.281)  (  2.225,   1.329,  -0.281)  ( 0.00,  0.00,  0.00)
177:     electro (  0.743,  -0.686,   0.354)  (  0.743,  -0.686,   0.354)  ( 0.00,  0.00,  0.00)
177: 56       (  4.719,  16.441, -53.633)  (  4.722,  16.445, -53.621)  ( 0.06,  0.03,  0.02)
177:     bond    ( -0.778,  22.587, -52.280)  ( -0.778,  22.589, -52.268)  ( 0.02,  0.01,  0.02)
177:     angle   (  3.260,  -6.806,  -2.990)  (  3.263,  -6.805,  -2.989)  ( 0.07,  0.02,  0.01)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  1.444,   1.315,   1.369)  (  1.444,   1.315,   1.369)  ( 0.00,  0.00,  0.00)
177:     electro (  0.792,  -0.655,   0.268)  (  0.792,  -0.655,   0.268)  ( 0.00,  0.00,  0.00)
177: 57       ( -1.732, -47.778, -45.510)  ( -1.730, -47.767, -45.503)  ( 0.15,  0.02,  0.01)
177:     bond    (  3.795, -54.841, -38.148)  (  3.796, -54.832, -38.144)  ( 0.01,  0.02,  0.01)
177:     angle   ( -2.631,   5.826,  -8.640)  ( -2.629,   5.827,  -8.638)  ( 0.08,  0.01,  0.02)
177:     torsion (  0.589,  -0.017,   0.083)  (  0.589,  -0.017,   0.083)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -4.066,   1.758,   0.897)  ( -4.066,   1.758,   0.897)  ( 0.00,  0.00,  0.00)
177:     electro (  0.581,  -0.504,   0.299)  (  0.581,  -0.504,   0.299)  ( 0.00,  0.00,  0.00)
177: 58       ( 50.420,  36.227, -10.971)  ( 50.432,  36.232, -10.968)  ( 0.02,  0.01,  0.03)
177:     bond    ( 55.952,  31.133,  -6.287)  ( 55.963,  31.136,  -6.286)  ( 0.02,  0.01,  0.01)
177:     angle   ( -2.282,   2.522,  -7.819)  ( -2.282,   2.523,  -7.817)  ( 0.02,  0.07,  0.03)
177:     torsion (  0.052,  -0.097,  -0.018)  (  0.052,  -0.097,  -0.018)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -3.740,   3.140,   2.809)  ( -3.740,   3.140,   2.809)  ( 0.00,  0.00,  0.00)
177:     electro (  0.439,  -0.470,   0.344)  (  0.439,  -0.470,   0.344)  ( 0.00,  0.00,  0.00)
177: 59       (-56.455, -35.574,   6.114)  (-56.444, -35.569,   6.117)  ( 0.02,  0.02,  0.05)
177:     bond    (-59.090, -35.589,   6.014)  (-59.080, -35.585,   6.015)  ( 0.02,  0.01,  0.01)
177:     angle   (  1.971,  -2.844,   2.547)  (  1.971,  -2.842,   2.550)  ( 0.03,  0.05,  0.09)
177:     torsion ( -0.002,  -0.041,  -0.260)  ( -0.002,  -0.041,  -0.260)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.254,   2.953,  -2.641)  (  0.254,   2.953,  -2.641)  ( 0.00,  0.00,  0.00)
177:     electro (  0.412,  -0.053,   0.454)  (  0.412,  -0.053,   0.454)  ( 0.00,  0.00,  0.00)
177: 60       ( 50.380, -43.074,  21.150)  ( 50.389, -43.067,  21.153)  ( 0.02,  0.02,  0.02)
177:     bond    ( 52.215, -43.110,  20.266)  ( 52.222, -43.104,  20.268)  ( 0.02,  0.01,  0.01)
177:     angle   ( -0.583,  -0.346,   0.764)  ( -0.582,  -0.345,   0.766)  ( 0.05,  0.05,  0.17)
177:     torsion ( -1.138,  -1.119,   0.554)  ( -1.138,  -1.119,   0.554)  ( 0.01,  0.01,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.230,   1.391,  -0.524)  ( -0.230,   1.391,  -0.524)  ( 0.00,  0.00,  0.00)
177:     electro (  0.117,   0.110,   0.090)  (  0.117,   0.110,   0.090)  ( 0.00,  0.00,  0.00)
177: 61       ( -6.760,  -9.653,  62.290)  ( -6.757,  -9.649,  62.303)  ( 0.04,  0.04,  0.02)
177:     bond    ( -5.707, -18.261,  60.173)  ( -5.707, -18.260,  60.185)  ( 0.01,  0.01,  0.02)
177:     angle   ( -2.134,   9.751,   2.757)  ( -2.132,   9.754,   2.757)  ( 0.09,  0.02,  0.01)
177:     torsion (  0.825,  -0.029,   0.070)  (  0.825,  -0.029,   0.070)  ( 0.01,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.163,  -1.019,  -0.626)  (  0.163,  -1.019,  -0.626)  ( 0.00,  0.00,  0.00)
177:     electro (  0.093,  -0.096,  -0.083)  (  0.093,  -0.096,  -0.083)  ( 0.00,  0.00,  0.00)
177: 62       ( 48.800,  36.802,  -0.913)  ( 48.811,  36.808,  -0.910)  ( 0.02,  0.02,  0.23)
177:     bond    ( 52.179,  33.691,  -4.765)  ( 52.189,  33.695,  -4.765)  ( 0.02,  0.01,  0.01)
177:     angle   ( -2.735,   5.228,   7.025)  ( -2.734,   5.229,   7.028)  ( 0.02,  0.03,  0.03)
177:     torsion ( -0.332,   0.433,  -0.571)  ( -0.332,   0.433,  -0.571)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.358,  -2.314,  -2.542)  ( -0.358,  -2.314,  -2.542)  ( 0.00,  0.00,  0.00)
177:     electro (  0.045,  -0.235,  -0.060)  (  0.045,  -0.235,  -0.060)  ( 0.00,  0.00,  0.00)
177: 63       (-44.626,  39.990,  -8.474)  (-44.617,  39.997,  -8.471)  ( 0.02,  0.02,  0.04)
177:     bond    (-46.989,  36.366, -12.293)  (-46.980,  36.371, -12.293)  ( 0.02,  0.01,  0.01)
177:     angle   (  1.890,   6.515,  12.055)  (  1.890,   6.517,  12.057)  ( 0.04,  0.02,  0.02)
177:     torsion ( -0.548,  -0.498,   0.621)  ( -0.548,  -0.498,   0.621)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  0.844,  -2.227,  -8.803)  (  0.844,  -2.227,  -8.803)  ( 0.00,  0.00,  0.00)
177:     electro (  0.176,  -0.165,  -0.054)  (  0.176,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
177: ok 36 # gradients 
177: ok 37 # energy 
177: 
177: V A L I D A T E   G R A D I E N T S
177: 
177: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
177: ----------------------------------------------------------------------------------------
177:  1       (217.044, -41.967,   0.965)  (217.081, -41.921,   0.968)  ( 0.02,  0.11,  0.32)
177:     bond    ( 98.283, -136.446,   0.429)  ( 98.310, -136.411,   0.430)  ( 0.03,  0.03,  0.03)
177:     angle   (108.109,  94.020,  -0.224)  (108.119,  94.030,  -0.224)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.000,   0.002,   0.769)  ( -0.000,   0.002,   0.772)  ( 0.00,  0.00,  0.21)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (  6.972,   1.025,  -0.006)  (  6.972,   1.026,  -0.006)  ( 0.00,  0.02,  0.00)
177:     electro (  3.680,  -0.569,  -0.004)  (  3.680,  -0.569,  -0.004)  ( 0.00,  0.00,  0.00)
177:  2       (-47.166, -62.201,   0.047)  (-47.133, -62.163,   0.053)  ( 0.07,  0.06,  0.03)
177:     bond    (  2.183, -37.674,  -0.047)  (  2.207, -37.646,  -0.047)  ( 1.12,  0.07,  0.00)
177:     angle   (-48.885, -24.699,   0.210)  (-48.876, -24.689,   0.211)  ( 0.02,  0.04,  0.03)
177:     torsion ( -0.000,  -0.001,  -0.116)  ( -0.000,  -0.001,  -0.111)  ( 0.00,  0.00,  0.06)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.464,   0.172,  -0.000)  ( -0.464,   0.172,  -0.000)  ( 0.00,  0.00,  0.00)
177:  3       ( -0.007,  -0.199,  -0.169)  (  0.025,  -0.163,  -0.163)  ( 0.02,  0.71,  0.09)
177:     bond    ( -8.735,  15.518,   0.028)  ( -8.712,  15.547,   0.027)  ( 0.27,  0.18,  0.00)
177:     angle   ( 32.220, -21.912,  -0.057)  ( 32.229, -21.905,  -0.057)  ( 0.03,  0.03,  0.00)
177:     torsion ( -0.000,   0.000,  -0.167)  ( -0.000,   0.000,  -0.162)  ( 0.00,  0.00,  0.10)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-21.286,   6.216,   0.027)  (-21.286,   6.216,   0.027)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.206,  -0.021,   0.001)  ( -2.206,  -0.021,   0.001)  ( 0.00,  0.00,  0.00)
177:  4       ( 48.113,  21.924,  -0.078)  ( 48.140,  21.952,  -0.052)  ( 0.06,  0.12,  0.21)
177:     bond    (  5.579,   9.409,  -0.160)  (  5.598,   9.427,  -0.141)  ( 0.34,  0.20,  0.30)
177:     angle   ( 55.601,  17.739,  -0.020)  ( 55.610,  17.748,  -0.014)  ( 0.02,  0.05,  0.01)
177:     torsion (  0.000,  -0.000,   0.125)  (  0.000,  -0.000,   0.125)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-12.294,  -5.214,  -0.022)  (-12.294,  -5.214,  -0.022)  ( 0.00,  0.00,  0.00)
177:     electro ( -0.773,  -0.009,  -0.001)  ( -0.773,  -0.009,  -0.001)  ( 0.00,  0.00,  0.00)
177:  5       ( 32.755, -22.139,  -0.348)  ( 32.766, -22.118,  -0.348)  ( 0.03,  0.10,  0.02)
177:     bond    ( -4.057,  -6.858,  -0.005)  ( -4.050,  -6.838,  -0.005)  ( 0.17,  0.29,  0.00)
177:     angle   ( -2.186,   1.292,  -0.127)  ( -2.183,   1.293,  -0.127)  ( 0.14,  0.08,  0.00)
177:     torsion (  0.001,  -0.000,  -0.181)  (  0.001,  -0.000,  -0.180)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 38.247,  -9.107,  -0.046)  ( 38.248,  -9.107,  -0.046)  ( 0.00,  0.00,  0.00)
177:     electro (  0.751,  -7.466,   0.010)  (  0.751,  -7.466,   0.010)  ( 0.00,  0.00,  0.00)
177:  6       (-165.539,  22.277,  -0.538)  (-165.515,  22.298,  -0.537)  ( 0.01,  0.09,  0.04)
177:     bond    (-102.426, 142.178,  -0.414)  (-102.405, 142.193,  -0.414)  ( 0.02,  0.01,  0.02)
177:     angle   (-102.464, -133.859,   0.470)  (-102.461, -133.854,   0.469)  ( 0.00,  0.00,  0.05)
177:     torsion ( -0.000,  -0.002,  -0.668)  ( -0.000,  -0.002,  -0.667)  ( 0.00,  0.00,  0.08)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( 44.794,  13.953,   0.080)  ( 44.796,  13.953,   0.080)  ( 0.00,  0.00,  0.00)
177:     electro ( -5.443,   0.007,  -0.005)  ( -5.443,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
177:  7       (-20.820,  26.022,   0.060)  (-20.805,  26.025,   0.061)  ( 0.07,  0.01,  0.01)
177:     bond    (-20.292,   0.224,   0.019)  (-20.278,   0.223,   0.019)  ( 0.07,  0.00,  0.00)
177:     angle   (  0.222,  20.146,   0.024)  (  0.222,  20.149,   0.024)  ( 0.00,  0.02,  0.00)
177:     torsion (  0.000,  -0.000,   0.009)  (  0.000,  -0.000,   0.010)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -1.726,   5.394,   0.008)  ( -1.726,   5.394,   0.008)  ( 0.00,  0.00,  0.00)
177:     electro (  0.976,   0.259,   0.001)  (  0.976,   0.259,   0.001)  ( 0.00,  0.00,  0.00)
177:  8       (-23.697,  38.579,   0.065)  (-23.690,  38.590,   0.066)  ( 0.03,  0.03,  0.01)
177:     bond    ( 10.313,  17.407,   0.011)  ( 10.317,  17.417,   0.011)  ( 0.04,  0.06,  0.00)
177:     angle   (-17.330,  10.263,   0.028)  (-17.328,  10.264,   0.028)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.000,   0.000,  -0.005)  ( -0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-19.009,  11.655,   0.032)  (-19.008,  11.656,   0.032)  ( 0.00,  0.00,  0.00)
177:     electro (  2.329,  -0.747,  -0.001)  (  2.329,  -0.747,  -0.001)  ( 0.00,  0.00,  0.00)
177:  9       (-41.100, -31.821,  -0.090)  (-41.092, -31.812,  -0.088)  ( 0.02,  0.03,  0.02)
177:     bond    (  3.583,  -4.301,  -0.008)  (  3.589,  -4.293,  -0.008)  ( 0.16,  0.19,  0.00)
177:     angle   (-11.835,  -9.893,  -0.020)  (-11.834,  -9.892,  -0.018)  ( 0.01,  0.01,  0.00)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     (-34.686, -18.266,  -0.067)  (-34.685, -18.266,  -0.067)  ( 0.00,  0.00,  0.00)
177:     electro (  1.838,   0.640,   0.005)  (  1.838,   0.640,   0.005)  ( 0.00,  0.00,  0.00)
177: 10       ( -8.246, -17.014,   1.017)  ( -8.240, -17.012,   1.027)  ( 0.07,  0.01,  0.99)
177:     bond    ( -3.280,  -0.271,   4.647)  ( -3.275,  -0.271,   4.656)  ( 0.14,  0.00,  0.20)
177:     angle   ( -5.220, -13.791,  -4.475)  ( -5.218, -13.789,  -4.474)  ( 0.03,  0.02,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.507,  -2.830,   0.968)  ( -0.507,  -2.830,   0.968)  ( 0.00,  0.00,  0.00)
177:     electro (  0.762,  -0.121,  -0.123)  (  0.762,  -0.121,  -0.123)  ( 0.00,  0.00,  0.00)
177: 11       ( -8.139, -17.024,  -0.916)  ( -8.133, -17.022,  -0.906)  ( 0.08,  0.01,  0.92)
177:     bond    ( -3.185,  -0.252,  -4.513)  ( -3.180,  -0.252,  -4.504)  ( 0.15,  0.00,  0.21)
177:     angle   ( -5.204, -13.823,   4.447)  ( -5.203, -13.821,   4.447)  ( 0.03,  0.02,  0.02)
177:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.510,  -2.828,  -0.973)  ( -0.510,  -2.827,  -0.973)  ( 0.00,  0.00,  0.00)
177:     electro (  0.759,  -0.122,   0.123)  (  0.759,  -0.122,   0.123)  ( 0.00,  0.00,  0.00)
177: 12       ( 16.579,  83.343,  -0.081)  ( 16.595,  83.346,  -0.081)  ( 0.09,  0.00,  0.00)
177:     bond    ( 21.865,   0.904,  -0.025)  ( 21.880,   0.904,  -0.025)  ( 0.07,  0.01,  0.00)
177:     angle   ( -3.076,  74.463,  -0.266)  ( -3.076,  74.465,  -0.267)  ( 0.00,  0.00,  0.01)
177:     torsion (  0.000,   0.001,   0.216)  (  0.000,   0.001,   0.216)  ( 0.00,  0.00,  0.01)
177:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
177:     electro ( -2.210,   7.976,  -0.006)  ( -2.210,   7.976,  -0.006)  ( 0.00,  0.00,  0.00)
177: ok 38 # gradients 
177: 1..38
176/229 Test #177: test_ffgaff_1 ....................   Passed   14.53 sec
test 180
        Start 180: test_ffmmff94_2

180: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "2"
180: Environment variables: 
180:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
180:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
180: Test timeout computed to be: 1500
180: # Testing MMFF94 Force Field...
179: ok 1 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : 
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
178: ok 1 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
178:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
178:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
178:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
178:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
178:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
178:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
178:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
178:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
178:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
178:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
178:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
178:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
178:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
178:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
178:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
178:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
178:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
178:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
178:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
178:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
178:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
178:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
178:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
178:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
178:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
178:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
178:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
178:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
178:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
178:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
178:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
178:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
178:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
178:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
178:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
178:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
178:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
178:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
178:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
178:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
178:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
178:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
178:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
178:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
178:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
178:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
178:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
178: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
178:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
178:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
178:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
178: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
178:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
178:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
178:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
178:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
178:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
178: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
178:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
178:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
178:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
178:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
178:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
178: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
178:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
178:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
178:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
178:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
178:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
178:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
178:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
178:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
178: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
178:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
178:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
178:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
178:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
178:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
178:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
178:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
178:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
178:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
178:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
178:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
178: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
178:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
178:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
178:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
178: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
178:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
178:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
178:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
178:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
178: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
178:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
178:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
178:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
178:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
178:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
178:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
178:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
178:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
178:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
178:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
178:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
178:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
178:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
178:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
178:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
178:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
178:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
180: ok 1 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : cudpas.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
178:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
178:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
178:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
178:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
178:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
178:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
178:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
178:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
178:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
178:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
178:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
178:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
178:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
178:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
178:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
178:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
178:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
178:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
178:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
178:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
178: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
178:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
178:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
178:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
178:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
178:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
178: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
178:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
178:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
178:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
178: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
178:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
178:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
178:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
178: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
178:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
178:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
178:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
178:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
178: ok 2 # gradients 
178: ok 3 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( 25.189,  13.959,   7.126)  ( 25.262,  14.010,   7.142)  ( 0.29,  0.36,  0.21)
178:     bond    ( 58.080,   0.609,  15.368)  ( 58.147,   0.652,  15.373)  ( 0.12,  2.59,  0.03)
178:     angle   (-33.014,  13.257,  -8.293)  (-33.009,  13.265,  -8.292)  ( 0.02,  0.06,  0.00)
178:     torsion ( -0.007,  -0.001,   0.014)  ( -0.006,  -0.001,   0.024)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.130,   0.094,   0.037)  (  0.130,   0.094,   0.037)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-135.053, -156.995, -40.782)  (-134.971, -156.926, -40.765)  ( 0.06,  0.04,  0.04)
178:     bond    (-168.640, -135.476, -48.829)  (-168.564, -135.417, -48.824)  ( 0.04,  0.04,  0.01)
178:     angle   ( 33.577, -21.520,   8.093)  ( 33.584, -21.510,   8.096)  ( 0.02,  0.04,  0.04)
178:     torsion (  0.009,   0.001,  -0.046)  (  0.010,   0.001,  -0.037)  ( 0.00,  0.00,  0.04)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.629, -24.659,  -0.927)  ( -0.618, -24.639,  -0.924)  ( 0.65,  0.08,  0.29)
178:     bond    (-10.017, -15.265,  -3.131)  (-10.008, -15.245,  -3.131)  ( 0.08,  0.13,  0.02)
178:     angle   ( 13.893,  -9.812,   3.354)  ( 13.895,  -9.811,   3.354)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.007,  -0.001,   0.024)  ( -0.007,  -0.001,   0.027)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.372,   0.340,  -0.879)  ( -3.372,   0.340,  -0.879)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.126,   0.078,  -0.295)  ( -1.126,   0.078,  -0.295)  ( 0.00,  0.00,  0.00)
178:  4       ( 10.334,  23.137,   3.434)  ( 10.342,  23.160,   3.437)  ( 0.08,  0.10,  0.08)
178:     bond    ( -6.152,  11.706,  -1.247)  ( -6.146,  11.728,  -1.247)  ( 0.10,  0.19,  0.02)
178:     angle   ( 19.924,  11.039,   5.614)  ( 19.926,  11.039,   5.614)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.009,   0.001,  -0.036)  (  0.009,   0.001,  -0.033)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -2.908,  -0.086,  -0.770)  ( -2.908,  -0.086,  -0.770)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.539,   0.478,  -0.127)  ( -0.539,   0.478,  -0.127)  ( 0.00,  0.00,  0.00)
178:  5       (  2.550, -33.208,  -0.403)  (  2.558, -33.185,  -0.401)  ( 0.31,  0.07,  0.10)
178:     bond    ( 12.210, -24.825,   2.432)  ( 12.215, -24.802,   2.432)  ( 0.05,  0.09,  0.00)
178:     angle   (-14.826,  -7.709,  -4.160)  (-14.824,  -7.709,  -4.159)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.004,   0.000,  -0.017)  (  0.004,   0.000,  -0.015)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.498,  -0.119,   0.920)  (  3.498,  -0.119,   0.920)  ( 0.00,  0.00,  0.00)
178:     electro (  1.664,  -0.556,   0.422)  (  1.664,  -0.556,   0.422)  ( 0.00,  0.00,  0.00)
178:  6       (117.977, 192.469,  37.516)  (118.027, 192.554,  37.534)  ( 0.04,  0.04,  0.05)
178:     bond    (128.247, 182.517,  39.697)  (128.287, 182.596,  39.700)  ( 0.03,  0.04,  0.01)
178:     angle   (-13.318,   9.894,  -3.023)  (-13.308,   9.900,  -3.010)  ( 0.08,  0.06,  0.43)
178:     torsion ( -0.009,  -0.001,   0.033)  ( -0.009,  -0.001,   0.035)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.057,   0.060,   0.809)  (  3.057,   0.060,   0.809)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-20.624, -15.019,  -6.028)  (-20.600, -14.975,  -6.022)  ( 0.12,  0.30,  0.10)
178:     bond    (-13.952, -19.555,  -4.305)  (-13.930, -19.511,  -4.303)  ( 0.16,  0.22,  0.05)
178:     angle   ( -6.267,   4.824,  -1.607)  ( -6.264,   4.826,  -1.603)  ( 0.04,  0.03,  0.25)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.406,  -0.289,  -0.116)  ( -0.406,  -0.289,  -0.116)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 4 # gradients 
178: ok 5 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( 19.613,  39.037, -65.938)  ( 19.662,  39.085, -65.888)  ( 0.25,  0.12,  0.07)
178:     bond    ( 35.363,   4.708,  -8.226)  ( 35.398,   4.745,  -8.190)  ( 0.10,  0.78,  0.44)
178:     angle   (-11.879,  31.622, -54.395)  (-11.867,  31.633, -54.382)  ( 0.10,  0.04,  0.02)
178:     torsion ( -0.001,   0.614,   0.357)  ( -0.001,   0.615,   0.357)  ( 0.00,  0.03,  0.01)
178:     vdw     ( -3.869,   2.093,  -3.674)  ( -3.868,   2.093,  -3.674)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (119.205, -77.444, 130.932)  (119.268, -77.418, 130.999)  ( 0.05,  0.03,  0.05)
178:     bond    ( 91.119, -30.475,  52.665)  ( 91.170, -30.454,  52.724)  ( 0.06,  0.07,  0.11)
178:     angle   ( 28.099, -45.486,  79.118)  ( 28.111, -45.483,  79.125)  ( 0.04,  0.01,  0.01)
178:     torsion ( -0.013,  -1.484,  -0.850)  ( -0.013,  -1.481,  -0.849)  ( 0.00,  0.18,  0.08)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-73.250, -10.850,  16.560)  (-73.232, -10.836,  16.599)  ( 0.02,  0.13,  0.24)
178:     bond    (-24.487, -24.043,  41.291)  (-24.473, -24.030,  41.330)  ( 0.06,  0.05,  0.09)
178:     angle   (-50.205,  12.814, -22.277)  (-50.201,  12.815, -22.276)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.001,  -0.781,  -0.453)  (  0.001,  -0.780,  -0.453)  ( 0.00,  0.05,  0.01)
178:     vdw     (  0.738,   2.422,  -4.194)  (  0.738,   2.422,  -4.194)  ( 0.01,  0.00,  0.00)
178:     electro (  0.704,  -1.262,   2.192)  (  0.704,  -1.262,   2.192)  ( 0.00,  0.00,  0.00)
178:  4       ( 44.508,  37.050, -48.266)  ( 44.565,  37.070, -48.218)  ( 0.13,  0.05,  0.10)
178:     bond    (-23.001,  31.457, -52.235)  (-22.956,  31.470, -52.196)  ( 0.20,  0.04,  0.07)
178:     angle   ( 65.099,  -0.277,   0.177)  ( 65.110,  -0.275,   0.184)  ( 0.02,  0.07,  0.14)
178:     torsion (  0.043,   6.051,   3.476)  (  0.043,   6.055,   3.477)  ( 0.00,  0.07,  0.04)
178:     vdw     (  2.367,  -0.181,   0.316)  (  2.367,  -0.181,   0.316)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       ( -5.312,  28.754, -58.081)  ( -5.302,  28.761, -58.062)  ( 0.19,  0.03,  0.03)
178:     bond    ( 24.769,  25.591, -45.408)  ( 24.774,  25.597, -45.389)  ( 0.02,  0.02,  0.04)
178:     angle   (-37.301,   8.972, -15.298)  (-37.296,   8.972, -15.297)  ( 0.01,  0.00,  0.00)
178:     torsion ( -0.040,  -3.223,  -1.839)  ( -0.040,  -3.222,  -1.839)  ( 0.00,  0.04,  0.02)
178:     vdw     (  7.168,  -3.099,   5.355)  (  7.168,  -3.099,   5.355)  ( 0.00,  0.00,  0.00)
178:     electro (  0.092,   0.513,  -0.892)  (  0.092,   0.513,  -0.892)  ( 0.00,  0.00,  0.00)
178:  6       (-66.742,  -5.678,   5.781)  (-66.712,  -5.676,   5.785)  ( 0.04,  0.05,  0.08)
178:     bond    (-68.080,  -2.555,   3.484)  (-68.050,  -2.555,   3.485)  ( 0.04,  0.01,  0.01)
178:     angle   (  0.031,  -0.395,   0.321)  (  0.031,  -0.394,   0.324)  ( 0.00,  0.05,  0.12)
178:     torsion (  0.009,  -1.188,  -0.694)  (  0.009,  -1.187,  -0.694)  ( 0.00,  0.08,  0.02)
178:     vdw     (  2.093,  -2.289,   3.970)  (  2.093,  -2.289,   3.971)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.795,   0.749,  -1.300)  ( -0.795,   0.749,  -1.300)  ( 0.00,  0.00,  0.00)
178:  7       (-12.100, -37.172,   8.219)  (-12.095, -37.146,   8.223)  ( 0.04,  0.07,  0.05)
178:     bond    (-10.745, -36.692,   0.762)  (-10.743, -36.666,   0.762)  ( 0.02,  0.07,  0.01)
178:     angle   (  1.275,  -0.185,   9.111)  (  1.278,  -0.185,   9.115)  ( 0.24,  0.00,  0.05)
178:     torsion ( -0.001,   0.000,  -0.007)  ( -0.001,   0.000,  -0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.629,  -0.295,  -1.648)  ( -2.629,  -0.295,  -1.648)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-12.272,  11.176,  36.423)  (-12.267,  11.185,  36.444)  ( 0.04,  0.08,  0.06)
178:     bond    (-10.895,  17.429,  32.321)  (-10.893,  17.434,  32.341)  ( 0.02,  0.03,  0.06)
178:     angle   (  1.384,  -7.884,   4.714)  (  1.387,  -7.880,   4.715)  ( 0.22,  0.04,  0.03)
178:     torsion (  0.001,  -0.006,   0.003)  (  0.001,  -0.006,   0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.762,   1.636,  -0.616)  ( -2.762,   1.636,  -0.616)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (-13.893,  14.965, -25.900)  (-13.885,  14.974, -25.882)  ( 0.06,  0.06,  0.07)
178:     bond    (-14.232,  14.453, -24.883)  (-14.227,  14.458, -24.866)  ( 0.04,  0.04,  0.07)
178:     angle   (  3.445,   0.795,  -1.510)  (  3.448,   0.798,  -1.509)  ( 0.08,  0.26,  0.10)
178:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.106,  -0.288,   0.489)  ( -3.106,  -0.288,   0.489)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 6 # gradients 
178: ok 7 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-25.630, -28.431,  14.154)  (-25.582, -28.381,  14.202)  ( 0.19,  0.18,  0.34)
178:     bond    (-19.895,   7.377, -11.925)  (-19.860,   7.414, -11.888)  ( 0.17,  0.50,  0.30)
178:     angle   (-14.896, -48.982,   7.455)  (-14.883, -48.968,   7.466)  ( 0.08,  0.03,  0.15)
178:     torsion ( -5.124,   7.031,  17.238)  ( -5.124,   7.031,  17.239)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 14.285,   6.143,   1.385)  ( 14.285,   6.143,   1.385)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-128.910, 113.784, -158.185)  (-128.872, 113.809, -158.176)  ( 0.03,  0.02,  0.01)
178:     bond    (-121.810, -58.450, -11.109)  (-121.773, -58.436, -11.104)  ( 0.03,  0.02,  0.05)
178:     angle   (-22.250, 193.608, -95.414)  (-22.250, 193.620, -95.412)  ( 0.00,  0.01,  0.00)
178:     torsion ( 15.151, -21.375, -51.661)  ( 15.151, -21.375, -51.660)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( 25.701, -34.004, -11.496)  ( 25.706, -33.978, -11.492)  ( 0.02,  0.08,  0.04)
178:     bond    ( -1.395, -30.167,  -5.745)  ( -1.395, -30.140,  -5.745)  ( 0.01,  0.09,  0.01)
178:     angle   (-26.840,   0.424,   4.286)  (-26.837,   0.424,   4.289)  ( 0.01,  0.01,  0.09)
178:     torsion (  8.044,   1.903, -11.939)  (  8.044,   1.903, -11.939)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 45.892,  -6.165,   1.903)  ( 45.893,  -6.165,   1.903)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       ( 29.422,  24.486,   0.356)  ( 29.443,  24.493,   0.363)  ( 0.07,  0.03,  0.25)
178:     bond    ( 29.102,  11.932, -12.746)  ( 29.123,  11.935, -12.742)  ( 0.07,  0.03,  0.03)
178:     angle   (  0.008,   2.865,   2.705)  (  0.009,   2.868,   2.708)  ( 0.00,  0.12,  0.12)
178:     torsion (  0.559,   9.747,  10.407)  (  0.559,   9.747,  10.407)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.248,  -0.058,  -0.010)  ( -0.248,  -0.058,  -0.010)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-14.201, -18.014,  39.388)  (-14.197, -18.010,  39.416)  ( 0.02,  0.02,  0.07)
178:     bond    ( -0.398,   5.832,  34.590)  ( -0.398,   5.833,  34.617)  ( 0.01,  0.01,  0.08)
178:     angle   ( -6.363, -12.617,   2.052)  ( -6.359, -12.613,   2.052)  ( 0.05,  0.03,  0.01)
178:     torsion ( -8.696, -11.525,   1.842)  ( -8.696, -11.525,   1.842)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.256,   0.295,   0.904)  (  1.256,   0.295,   0.904)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (189.902, -122.303, 155.949)  (189.974, -122.252, 155.970)  ( 0.04,  0.04,  0.01)
178:     bond    (103.167,  13.570,  25.866)  (103.234,  13.611,  25.884)  ( 0.06,  0.30,  0.07)
178:     angle   (105.259, -154.157,  97.805)  (105.264, -154.146,  97.807)  ( 0.00,  0.01,  0.00)
178:     torsion (-10.098,  14.460,  34.616)  (-10.098,  14.460,  34.618)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.426,   3.824,  -2.338)  ( -8.426,   3.824,  -2.338)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       ( 28.297,  20.835,   1.996)  ( 28.342,  20.848,   2.008)  ( 0.16,  0.06,  0.60)
178:     bond    ( 12.873,  -5.976,   6.570)  ( 12.917,  -5.967,   6.582)  ( 0.34,  0.16,  0.18)
178:     angle   ( 15.468,  26.087,  -6.706)  ( 15.469,  26.090,  -6.706)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.587,   0.850,   1.922)  ( -0.587,   0.850,   1.922)  ( 0.00,  0.01,  0.02)
178:     vdw     (  0.543,  -0.126,   0.210)  (  0.543,  -0.126,   0.210)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-104.818,  43.447, -42.297)  (-104.813,  43.471, -42.291)  ( 0.00,  0.06,  0.01)
178:     bond    ( -1.848,  55.726, -25.609)  ( -1.848,  55.750, -25.603)  ( 0.02,  0.04,  0.02)
178:     angle   (-50.415,  -7.276, -12.204)  (-50.413,  -7.275, -12.204)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.751,  -1.091,  -2.429)  (  0.751,  -1.091,  -2.429)  ( 0.00,  0.01,  0.01)
178:     vdw     (-53.305,  -3.913,  -2.055)  (-53.304,  -3.913,  -2.055)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 8 # gradients 
178: ok 9 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (105.440, -149.985, 260.331)  (105.486, -149.942, 260.360)  ( 0.04,  0.03,  0.01)
178:     bond    (105.838, -149.765, 260.004)  (105.879, -149.728, 260.027)  ( 0.04,  0.02,  0.01)
178:     angle   ( -0.389,  -0.217,   0.334)  ( -0.384,  -0.211,   0.340)  ( 0.21,  0.12,  0.21)
178:     torsion ( -0.009,  -0.003,  -0.007)  ( -0.009,  -0.003,  -0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-90.439,   1.612,  -3.158)  (-90.384,   1.663,  -3.108)  ( 0.06,  3.15,  1.59)
178:     bond    (-96.521,  -0.000,   0.010)  (-96.477,   0.040,   0.049)  ( 0.05,  0.00,  0.04)
178:     angle   (  0.198,  -0.177,  -0.044)  (  0.210,  -0.166,  -0.033)  ( 0.22,  0.20,  0.05)
178:     torsion ( -0.000,   0.004,  -0.001)  (  0.000,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( 17.766,  85.074,  -3.307)  ( 17.818,  85.129,  -3.256)  ( 0.29,  0.06,  1.52)
178:     bond    ( 31.918,  90.924,  -0.196)  ( 31.958,  90.967,  -0.157)  ( 0.13,  0.05,  0.78)
178:     angle   ( -0.248,  -0.340,  -0.003)  ( -0.237,  -0.328,   0.008)  ( 0.28,  0.38,  0.00)
178:     torsion (  0.004,  -0.001,   0.009)  (  0.004,  -0.001,   0.009)  ( 0.00,  0.00,  0.00)
178:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       ( 17.700, -39.682, -75.828)  ( 17.751, -39.631, -75.775)  ( 0.29,  0.13,  0.07)
178:     bond    ( 32.121, -45.510, -79.026)  ( 32.161, -45.470, -78.984)  ( 0.12,  0.09,  0.05)
178:     angle   ( -0.358,   0.352,  -0.032)  ( -0.347,   0.363,  -0.021)  ( 0.40,  0.38,  0.03)
178:     torsion ( -0.001,   0.004,  -0.002)  ( -0.001,   0.004,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.116)  ( 0.02,  0.01,  0.05)
178:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
178:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
178:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-74.306, -104.570, 181.478)  (-74.299, -104.561, 181.498)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
178:     torsion ( -0.000,   0.002,   0.001)  (  0.000,   0.002,   0.001)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-43.647, -109.104, -189.246)  (-43.639, -109.094, -189.226)  ( 0.02,  0.01,  0.01)
178:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
178:     torsion ( -0.000,  -0.003,   0.002)  (  0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.12)
178:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
178:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
178:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
178:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (-82.262,  92.018, -179.835)  (-82.254,  92.027, -179.815)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
178:     torsion (  0.003,  -0.001,  -0.002)  (  0.003,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (221.224,   6.299,   3.345)  (221.252,   6.304,   3.350)  ( 0.01,  0.08,  0.13)
178:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
178:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
178:     torsion ( -0.000,   0.003,  -0.002)  ( -0.000,   0.003,  -0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-82.670, 109.687, -169.760)  (-82.663, 109.697, -169.740)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
178:     torsion ( -0.004,  -0.003,   0.000)  ( -0.004,  -0.002,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (-82.957, -203.268,   2.436)  (-82.949, -203.243,   2.441)  ( 0.01,  0.01,  0.17)
178:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
178:     torsion (  0.006,  -0.002,   0.004)  (  0.006,  -0.002,   0.004)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 10 # gradients 
178: ok 11 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-352.758, 498.355, -863.403)  (-352.737, 498.374, -863.393)  ( 0.01,  0.00,  0.00)
178:     bond    (-352.351, 498.577, -863.775)  (-352.336, 498.590, -863.772)  ( 0.00,  0.00,  0.00)
178:     angle   ( -0.390,  -0.216,   0.386)  ( -0.384,  -0.210,   0.392)  ( 0.22,  0.13,  0.25)
178:     torsion ( -0.018,  -0.006,  -0.014)  ( -0.017,  -0.006,  -0.013)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (1285.827,   1.609,  -3.175)  (1285.867,   1.655,  -3.129)  ( 0.00,  2.87,  1.44)
178:     bond    (1279.745,   0.004,   0.014)  (1279.774,   0.040,   0.049)  ( 0.00,  0.02,  0.05)
178:     angle   (  0.198,  -0.189,  -0.064)  (  0.210,  -0.178,  -0.053)  ( 0.22,  0.21,  0.07)
178:     torsion ( -0.000,   0.008,  -0.003)  (  0.000,   0.008,  -0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.883,   1.786,  -3.123)  (  5.883,   1.786,  -3.122)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-441.622, -1212.197,  -3.313)  (-441.575, -1212.156,  -3.266)  ( 0.01,  0.00,  1.39)
178:     bond    (-427.484, -1206.342,  -0.192)  (-427.450, -1206.312,  -0.157)  ( 0.01,  0.00,  0.67)
178:     angle   ( -0.237,  -0.343,  -0.023)  ( -0.226,  -0.332,  -0.012)  ( 0.27,  0.39,  0.02)
178:     torsion (  0.008,  -0.003,   0.019)  (  0.008,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
178:     vdw     (-13.908,  -5.509,  -3.117)  (-13.907,  -5.509,  -3.117)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-440.935, 609.305, 1047.967)  (-440.889, 609.350, 1048.009)  ( 0.01,  0.01,  0.00)
178:     bond    (-426.503, 603.459, 1044.784)  (-426.468, 603.492, 1044.815)  ( 0.01,  0.01,  0.00)
178:     angle   ( -0.369,   0.367,  -0.045)  ( -0.358,   0.378,  -0.034)  ( 0.42,  0.40,  0.05)
178:     torsion ( -0.002,   0.007,  -0.005)  ( -0.001,   0.007,  -0.005)  ( 0.00,  0.00,  0.00)
178:     vdw     (-14.062,   5.472,   3.232)  (-14.062,   5.473,   3.232)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-44.578, 218.066,   0.111)  (-44.571, 218.092,   0.115)  ( 0.02,  0.01,  0.05)
178:     bond    (-74.014, 208.993,  -0.001)  (-74.010, 209.018,   0.000)  ( 0.01,  0.01,  0.00)
178:     angle   ( -0.340,  -0.120,  -0.061)  ( -0.338,  -0.120,  -0.057)  ( 0.09,  0.00,  0.02)
178:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 29.776,   9.193,   0.174)  ( 29.777,   9.193,   0.174)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-74.306, -104.569, 181.479)  (-74.299, -104.559, 181.499)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.876, -104.552, 181.024)  (-73.872, -104.545, 181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.043,   0.173,   0.119)  (  0.046,   0.176,   0.120)  ( 0.01,  0.05,  0.01)
178:     torsion ( -0.000,   0.003,   0.002)  (  0.000,   0.003,   0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.473,  -0.193,   0.334)  ( -0.473,  -0.193,   0.334)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-43.647, -109.106, -189.244)  (-43.639, -109.096, -189.224)  ( 0.02,  0.01,  0.01)
178:     bond    (-73.841, -104.519, -181.111)  (-73.837, -104.512, -181.092)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.080,   0.216,  -0.161)  (  0.083,   0.219,  -0.160)  ( 0.02,  0.06,  0.02)
178:     torsion ( -0.000,  -0.005,   0.003)  (  0.000,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 30.115,  -4.798,  -7.975)  ( 30.116,  -4.798,  -7.975)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (221.220,  -6.123,  -3.930)  (221.248,  -6.119,  -3.925)  ( 0.01,  0.07,  0.13)
178:     bond    (221.839,  -0.001,  -0.001)  (221.867,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
178:     angle   ( -0.000,   0.445,  -0.090)  (  0.000,   0.448,  -0.086)  ( 0.00,  0.13,  0.03)
178:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.619,  -6.567,  -3.838)  ( -0.619,  -6.567,  -3.838)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (-82.802,  99.667, 177.060)  (-82.795,  99.677, 177.080)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.876, 104.538, 181.024)  (-73.872, 104.545, 181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.231,  -0.092,   0.146)  (  0.235,  -0.090,   0.148)  ( 0.07,  0.02,  0.02)
178:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.158,  -4.779,  -4.111)  ( -9.158,  -4.778,  -4.111)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (-82.259,  92.017, -179.837)  (-82.251,  92.026, -179.817)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.757, 104.367, -180.905)  (-73.753, 104.374, -180.886)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.291,  -0.136,  -0.198)  (  0.295,  -0.133,  -0.197)  ( 0.09,  0.03,  0.02)
178:     torsion (  0.006,  -0.002,  -0.003)  (  0.006,  -0.002,  -0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.798, -12.213,   1.270)  ( -8.798, -12.212,   1.270)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (221.224,   6.302,   3.343)  (221.252,   6.307,   3.348)  ( 0.01,  0.08,  0.13)
178:     bond    (221.840,  -0.059,  -0.118)  (221.868,  -0.058,  -0.117)  ( 0.01,  0.01,  0.01)
178:     angle   ( -0.000,  -0.255,  -0.307)  ( -0.000,  -0.251,  -0.304)  ( 0.00,  0.09,  0.10)
174: ok 1 # dipole
174: ok 2 # charge
174: ok 3 # charge
174: ok 4 # charge
174: ok 5 # charge
174: ok 6 # charge
174: ok 7 # charge
174: ok 8 # charge
174: ok 9 # charge
174: ok 10 # charge
174: ok 11 # charge
174: ok 12 # charge
174: ok 13 # charge
174: ok 14 # charge
174: ok 15 # charge
174: ok 16 # charge
174: ok 17 # charge
174: ok 18 # charge
174: ok 19 # charge
174: ok 20 # charge
174: ok 21 # charge
174: ok 22 # charge
174: ok 23 # charge
174: ok 24 # charge
174: ok 25 # charge
174: ok 26 # charge
174: ok 27 # charge
174: ok 28 # charge
174: ok 29 # charge
174: ok 30 # charge
174: ok 31 # charge
174: ok 32 # charge
174: ok 33 # charge
174: ok 34 # charge
174: ok 35 # charge
174: ok 36 # charge
174: ok 37 # charge
174: ok 38 # charge
174: ok 39 # charge
174: ok 40 # charge
174: ok 41 # dipole
174: ok 42 # charge
174: ok 43 # charge
174: ok 44 # charge
174: ok 45 # charge
174: ok 46 # charge
174: ok 47 # charge
174: ok 48 # charge
174: ok 49 # dipole
174: ok 50 # charge
174: ok 51 # charge
174: ok 52 # charge
174: ok 53 # charge
174: ok 54 # charge
174: ok 55 # charge
174: ok 56 # charge
174: ok 57 # charge
174: ok 58 # charge
174: ok 59 # dipole
174: ok 60 # charge
174: ok 61 # charge
174: ok 62 # charge
174: ok 63 # charge
174: ok 64 # charge
174: ok 65 # charge
174: ok 66 # charge
174: ok 67 # charge
174: ok 68 # dipole
174: ok 69 # charge
174: ok 70 # charge
174: ok 71 # charge
174: ok 72 # charge
174: ok 73 # charge
174: ok 74 # charge
174: ok 75 # charge
174: ok 76 # charge
174: ok 77 # charge
174: ok 78 # charge
174: ok 79 # charge
174: ok 80 # charge
174: ok 81 # charge
174: ok 82 # dipole
174: ok 83 # charge
174: ok 84 # charge
174: ok 85 # charge
174: ok 86 # charge
174: ok 87 # charge
174: ok 88 # charge
174: ok 89 # charge
174: ok 90 # charge
174: ok 91 # charge
174: ok 92 # charge
174: ok 93 # charge
174: ok 94 # charge
174: ok 95 # charge
174: ok 96 # dipole
174: ok 97 # charge
174: ok 98 # charge
174: ok 99 # charge
174: ok 100 # charge
174: ok 101 # charge
174: ok 102 # charge
174: ok 103 # charge
174: ok 104 # charge
174: ok 105 # charge
174: ok 106 # charge
174: ok 107 # charge
174: ok 108 # charge
174: ok 109 # charge
174: ok 110 # charge
174: ok 111 # charge
174: ok 112 # charge
174: ok 113 # charge
174: ok 114 # charge
174: ok 115 # charge
174: ok 116 # charge
174: ok 117 # charge
174: ok 118 # charge
174: ok 119 # charge
174: ok 120 # charge
174: ok 121 # charge
174: ok 122 # charge
174: ok 123 # charge
174: ok 124 # charge
174: ok 125 # charge
174: ok 126 # charge
174: ok 127 # charge
174: ok 128 # charge
174: ok 129 # charge
174: ok 130 # charge
174: ok 131 # charge
174: ok 132 # charge
174: ok 133 # charge
174: ok 134 # charge
174: ok 135 # charge
174: ok 136 # charge
174: ok 137 # charge
174: ok 138 # charge
174: ok 139 # charge
174: ok 140 # charge
174: ok 141 # charge
174: ok 142 # charge
174: ok 143 # charge
174: ok 144 # charge
174: ok 145 # charge
174: ok 146 # charge
174: ok 147 # charge
174: ok 148 # charge
174: ok 149 # charge
174: ok 150 # charge
174: ok 151 # charge
174: ok 152 # charge
174: ok 153 # charge
174: ok 154 # charge
174: ok 155 # charge
174: ok 156 # charge
174: ok 157 # charge
174: ok 158 # charge
174: ok 159 # charge
174: ok 160 # charge
174: ok 161 # charge
174: ok 162 # dipole
174: ok 163 # charge
174: ok 164 # charge
174: ok 165 # charge
174: ok 166 # charge
174: ok 167 # charge
174: ok 168 # charge
174: ok 169 # charge
174: ok 170 # charge
174: ok 171 # charge
174: ok 172 # charge
174: ok 173 # charge
174: ok 174 # charge
174: ok 175 # charge
174: ok 176 # charge
174: ok 177 # charge
174: ok 178 # charge
174: ok 179 # charge
174: ok 180 # charge
174: ok 181 # charge
174: ok 182 # charge
174: ok 183 # charge
174: ok 184 # charge
174: ok 185 # charge
174: ok 186 # charge
174: ok 187 # dipole
174: ok 188 # charge
174: ok 189 # charge
174: ok 190 # charge
174: ok 191 # charge
174: ok 192 # charge
174: ok 193 # charge
174: ok 194 # charge
174: ok 195 # charge
174: ok 196 # charge
174: ok 197 # charge
174: ok 198 # charge
174: ok 199 # charge
174: ok 200 # charge
174: ok 201 # charge
174: ok 202 # charge
174: ok 203 # charge
174: ok 204 # charge
174: ok 205 # charge
174: ok 206 # charge
174: ok 207 # charge
174: ok 208 # charge
174: ok 209 # charge
174: ok 210 # charge
174: ok 211 # charge
174: ok 212 # charge
174: ok 213 # charge
174: ok 214 # charge
174: ok 215 # charge
174: ok 216 # charge
174: ok 217 # charge
174: ok 218 # charge
174: ok 219 # charge
174: ok 220 # charge
174: ok 221 # charge
174: ok 222 # charge
174: ok 223 # charge
174: ok 224 # charge
174: ok 225 # charge
174: ok 226 # charge
174: ok 227 # charge
174: ok 228 # charge
174: ok 229 # charge
174: ok 230 # charge
174: ok 231 # charge
174: ok 232 # charge
174: ok 233 # charge
174: ok 234 # charge
174: ok 235 # charge
174: ok 236 # charge
174: ok 237 # charge
174: ok 238 # charge
174: ok 239 # charge
174: ok 240 # charge
174: ok 241 # charge
174: ok 242 # charge
174: ok 243 # charge
174: ok 244 # charge
174: ok 245 # charge
174: ok 246 # charge
174: ok 247 # charge
174: ok 248 # dipole
174: ok 249 # charge
174: ok 250 # charge
174: ok 251 # charge
174: ok 252 # charge
174: ok 253 # charge
174: ok 254 # charge
174: ok 255 # charge
174: ok 256 # charge
174: ok 257 # charge
174: ok 258 # charge
174: ok 259 # charge
174: ok 260 # charge
174: ok 261 # charge
174: ok 262 # charge
179:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
179:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
179:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
179:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.000,   0.007,  -0.004)  ( -0.000,   0.007,  -0.004)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.616,   6.610,   3.772)  ( -0.616,   6.610,   3.772)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-82.674, 109.685, -169.760)  (-82.667, 109.695, -169.740)  ( 0.01,  0.01,  0.01)
178:     bond    (-73.962, 104.530, -181.062)  (-73.958, 104.537, -181.043)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.196,   0.175,   0.020)  (  0.200,   0.178,   0.021)  ( 0.06,  0.05,  0.00)
178:     torsion ( -0.007,  -0.005,   0.000)  ( -0.007,  -0.005,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.901,   4.984,  11.282)  ( -8.901,   4.984,  11.282)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (-82.951, -203.270,   2.440)  (-82.943, -203.245,   2.444)  ( 0.01,  0.01,  0.17)
178:     bond    (-73.956, -209.192,   0.116)  (-73.952, -209.167,   0.117)  ( 0.01,  0.01,  0.01)
178:     angle   (  0.236,  -0.085,   0.219)  (  0.240,  -0.085,   0.222)  ( 0.08,  0.00,  0.07)
178:     torsion (  0.012,  -0.004,   0.007)  (  0.012,  -0.004,   0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.243,   6.011,   2.098)  ( -9.243,   6.012,   2.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 12 # gradients 
178: ok 13 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-37.135, -25.583,  -5.155)  (-37.065, -25.493,  -5.141)  ( 0.19,  0.35,  0.27)
178:     bond    (-39.393, -37.584,  -9.117)  (-39.335, -37.506,  -9.108)  ( 0.15,  0.21,  0.11)
178:     angle   (  7.381,  12.289,   3.318)  (  7.394,  12.300,   3.319)  ( 0.17,  0.09,  0.04)
178:     torsion (  0.061,  -0.144,   0.321)  (  0.061,  -0.144,   0.324)  ( 0.00,  0.00,  0.09)
178:     vdw     ( -5.824,   0.116,   0.584)  ( -5.824,   0.116,   0.584)  ( 0.00,  0.00,  0.00)
178:     electro (  0.639,  -0.259,  -0.260)  (  0.639,  -0.259,  -0.260)  ( 0.00,  0.00,  0.00)
178:  2       ( 38.411,  37.278,   9.927)  ( 38.505,  37.348,   9.938)  ( 0.24,  0.19,  0.11)
178:     bond    ( 31.945,  49.472,  14.218)  ( 32.026,  49.531,  14.224)  ( 0.25,  0.12,  0.04)
178:     angle   (  8.741, -16.613,  -6.348)  (  8.754, -16.602,  -6.347)  ( 0.14,  0.07,  0.02)
178:     torsion ( -0.021,  -0.066,   0.306)  ( -0.021,  -0.066,   0.309)  ( 0.00,  0.00,  0.09)
178:     vdw     ( -2.211,   5.417,   2.288)  ( -2.211,   5.417,   2.288)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.043,  -0.931,  -0.537)  ( -0.043,  -0.931,  -0.537)  ( 0.00,  0.00,  0.00)
178:  3       ( 37.676,   9.956,  11.493)  ( 37.770,  10.028,  11.506)  ( 0.25,  0.72,  0.11)
178:     bond    ( 22.225, -39.741, -16.148)  ( 22.304, -39.682, -16.140)  ( 0.36,  0.15,  0.05)
178:     angle   ( 15.646,  49.327,  16.801)  ( 15.661,  49.339,  16.803)  ( 0.09,  0.02,  0.01)
178:     torsion (  0.640,  -4.608,  12.311)  (  0.640,  -4.608,  12.314)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -0.175,   6.511,  -0.244)  ( -0.175,   6.511,  -0.244)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.660,  -1.533,  -1.228)  ( -0.660,  -1.533,  -1.228)  ( 0.00,  0.00,  0.00)
178:  4       (-82.568,   2.725,  38.198)  (-82.476,   2.823,  38.217)  ( 0.11,  3.60,  0.05)
178:     bond    (-63.591,  43.917,  19.919)  (-63.515,  43.994,  19.930)  ( 0.12,  0.18,  0.05)
178:     angle   (-24.738, -39.856,  21.223)  (-24.722, -39.835,  21.228)  ( 0.07,  0.05,  0.03)
178:     torsion ( -0.219,  -0.406,  -1.055)  ( -0.219,  -0.405,  -1.052)  ( 0.00,  0.03,  0.30)
178:     vdw     (  5.980,  -0.930,  -1.889)  (  5.980,  -0.930,  -1.889)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-79.362, -10.491,   1.322)  (-79.266, -10.421,   1.335)  ( 0.12,  0.67,  0.93)
178:     bond    (-52.026,   2.020,   6.986)  (-51.946,   2.079,   6.994)  ( 0.16,  2.88,  0.11)
178:     angle   (-28.249,  -8.322,  -0.594)  (-28.234,  -8.310,  -0.592)  ( 0.05,  0.14,  0.10)
174: ok 263 # charge
174: ok 264 # charge
174: ok 265 # charge
174: ok 266 # charge
174: ok 267 # charge
174: ok 268 # charge
174: ok 269 # charge
174: ok 270 # charge
174: ok 271 # charge
174: ok 272 # charge
174: ok 273 # dipole
174: ok 274 # charge
174: ok 275 # charge
174: ok 276 # charge
174: ok 277 # charge
174: ok 278 # charge
174: ok 279 # charge
174: ok 280 # charge
174: ok 281 # charge
174: ok 282 # charge
174: ok 283 # charge
174: ok 284 # charge
174: ok 285 # charge
174: ok 286 # charge
174: ok 287 # charge
174: ok 288 # charge
174: ok 289 # charge
174: ok 290 # charge
174: ok 291 # charge
174: ok 292 # charge
174: ok 293 # charge
174: ok 294 # charge
174: ok 295 # charge
174: ok 296 # charge
174: ok 297 # charge
174: ok 298 # charge
174: ok 299 # charge
174: ok 300 # charge
174: ok 301 # charge
174: ok 302 # charge
174: ok 303 # charge
174: ok 304 # charge
174: ok 305 # charge
174: ok 306 # charge
174: ok 307 # charge
174: ok 308 # charge
174: ok 309 # charge
174: ok 310 # charge
174: ok 311 # charge
174: ok 312 # charge
174: ok 313 # charge
174: ok 314 # charge
174: ok 315 # charge
174: ok 316 # charge
174: ok 317 # charge
174: ok 318 # charge
174: ok 319 # charge
174: ok 320 # charge
174: ok 321 # charge
174: ok 322 # charge
174: ok 323 # charge
174: ok 324 # charge
174: ok 325 # charge
174: ok 326 # charge
174: ok 327 # charge
174: ok 328 # charge
174: ok 329 # charge
174: ok 330 # charge
174: ok 331 # charge
174: ok 332 # charge
174: ok 333 # charge
174: ok 334 # charge
174: ok 335 # charge
174: ok 336 # charge
174: ok 337 # charge
174: ok 338 # charge
174: ok 339 # charge
174: ok 340 # charge
174: ok 341 # charge
174: ok 342 # charge
174: ok 343 # charge
174: ok 344 # charge
174: ok 345 # charge
174: ok 346 # charge
174: ok 347 # charge
174: ok 348 # dipole
174: ok 349 # charge
174: ok 350 # charge
174: ok 351 # charge
174: ok 352 # charge
174: ok 353 # charge
174: ok 354 # charge
174: ok 355 # charge
174: ok 356 # charge
174: ok 357 # charge
174: ok 358 # charge
174: ok 359 # charge
174: ok 360 # charge
174: ok 361 # charge
174: ok 362 # charge
174: ok 363 # charge
174: ok 364 # charge
174: ok 365 # charge
174: ok 366 # charge
174: ok 367 # charge
174: ok 368 # charge
174: ok 369 # charge
174: ok 370 # charge
174: ok 371 # charge
174: ok 372 # charge
174: ok 373 # charge
174: ok 374 # charge
174: ok 375 # charge
174: ok 376 # charge
174: ok 377 # charge
174: ok 378 # charge
174: ok 379 # charge
174: ok 380 # charge
174: ok 381 # charge
174: ok 382 # charge
174: ok 383 # charge
174: ok 384 # charge
174: ok 385 # charge
174: ok 386 # charge
174: ok 387 # charge
174: ok 388 # charge
174: ok 389 # charge
174: ok 390 # charge
174: ok 391 # dipole
174: ok 392 # charge
174: ok 393 # charge
174: ok 394 # charge
174: ok 395 # charge
174: ok 396 # charge
174: ok 397 # charge
174: ok 398 # charge
174: ok 399 # charge
174: ok 400 # charge
174: ok 401 # charge
174: ok 402 # charge
174: ok 403 # charge
174: ok 404 # charge
174: ok 405 # charge
174: ok 406 # charge
174: ok 407 # charge
174: ok 408 # charge
174: ok 409 # charge
174: ok 410 # charge
174: ok 411 # charge
174: ok 412 # charge
174: ok 413 # charge
174: ok 414 # charge
174: ok 415 # charge
174: ok 416 # charge
174: ok 417 # charge
174: ok 418 # charge
174: ok 419 # charge
174: ok 420 # charge
174: ok 421 # charge
174: ok 422 # charge
174: ok 423 # charge
174: ok 424 # charge
174: ok 425 # charge
174: ok 426 # charge
174: ok 427 # charge
174: ok 428 # charge
174: ok 429 # dipole
174: ok 430 # charge
174: ok 431 # charge
174: ok 432 # charge
174: ok 433 # charge
174: ok 434 # charge
174: ok 435 # charge
174: ok 436 # charge
174: ok 437 # charge
174: ok 438 # charge
174: ok 439 # charge
174: ok 440 # charge
174: ok 441 # charge
174: ok 442 # charge
174: ok 443 # charge
174: ok 444 # charge
174: ok 445 # charge
174: ok 446 # charge
174: ok 447 # charge
174: ok 448 # charge
174: ok 449 # charge
174: ok 450 # charge
174: ok 451 # charge
174: ok 452 # charge
174: ok 453 # charge
174: ok 454 # charge
174: ok 455 # charge
174: ok 456 # charge
174: ok 457 # charge
174: ok 458 # charge
174: ok 459 # charge
174: ok 460 # charge
174: ok 461 # charge
174: ok 462 # charge
174: ok 463 # charge
174: ok 464 # charge
174: ok 465 # charge
174: ok 466 # charge
174: ok 467 # charge
174: ok 468 # charge
174: ok 469 # dipole
174: ok 470 # charge
174: ok 471 # charge
174: ok 472 # charge
174: ok 473 # charge
174: ok 474 # charge
174: ok 475 # charge
174: ok 476 # charge
174: ok 477 # charge
174: ok 478 # charge
174: ok 479 # charge
174: ok 480 # charge
174: ok 481 # charge
174: ok 482 # charge
174: ok 483 # charge
174: ok 484 # charge
174: ok 485 # charge
174: ok 486 # charge
174: ok 487 # charge
174: ok 488 # charge
174: ok 489 # charge
174: ok 490 # charge
174: ok 491 # charge
174: ok 492 # charge
174: ok 493 # charge
174: ok 494 # charge
174: ok 495 # charge
174: ok 496 # charge
174: ok 497 # charge
174: ok 498 # charge
174: ok 499 # charge
174: ok 500 # charge
174: ok 501 # charge
174: ok 502 # charge
174: ok 503 # dipole
174: ok 504 # charge
174: ok 505 # charge
174: ok 506 # charge
174: ok 507 # charge
174: ok 508 # charge
174: ok 509 # charge
174: ok 510 # charge
174: ok 511 # charge
174: ok 512 # charge
174: ok 513 # charge
174: ok 514 # charge
174: ok 515 # charge
174: ok 516 # charge
174: ok 517 # charge
174: ok 518 # charge
178:     torsion (  0.098,   1.325,  -3.983)  (  0.099,   1.325,  -3.980)  ( 0.00,  0.03,  0.07)
178:     vdw     ( -0.161,  -6.107,  -1.169)  ( -0.161,  -6.107,  -1.169)  ( 0.00,  0.00,  0.00)
178:     electro (  0.976,   0.593,   0.083)  (  0.976,   0.593,   0.083)  ( 0.00,  0.00,  0.00)
178:  6       ( 36.692, -14.717,  -9.327)  ( 36.783, -14.646,  -9.314)  ( 0.25,  0.48,  0.14)
178:     bond    ( 53.347, -12.349,  -9.653)  ( 53.426, -12.289,  -9.645)  ( 0.15,  0.48,  0.09)
178:     angle   (-14.012,   2.744,   2.305)  (-13.999,   2.755,   2.306)  ( 0.09,  0.41,  0.06)
178:     torsion ( -0.010,   0.362,  -0.308)  ( -0.010,   0.362,  -0.305)  ( 0.00,  0.01,  0.09)
178:     vdw     ( -3.247,  -5.827,  -1.669)  ( -3.247,  -5.827,  -1.669)  ( 0.00,  0.00,  0.00)
178:     electro (  0.614,   0.354,  -0.001)  (  0.614,   0.354,  -0.001)  ( 0.00,  0.00,  0.00)
178:  7       (200.889,   4.865, 180.344)  (200.967,   4.901, 180.385)  ( 0.04,  0.75,  0.02)
178:     bond    (222.352,  66.628, 140.599)  (222.417,  66.649, 140.627)  ( 0.03,  0.03,  0.02)
178:     angle   (  5.358,   8.587, -17.210)  (  5.370,   8.600, -17.200)  ( 0.22,  0.14,  0.06)
178:     torsion (-24.205, -77.836,  59.395)  (-24.204, -77.834,  59.396)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.040,   8.269,  -3.213)  ( -0.040,   8.269,  -3.213)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.577,  -0.783,   0.775)  ( -2.577,  -0.783,   0.775)  ( 0.00,  0.00,  0.00)
178:  8       (-737.337, -58.076, -13.799)  (-737.247, -58.047, -13.726)  ( 0.01,  0.05,  0.52)
178:     bond    (-746.916,   5.571,  66.213)  (-746.841,   5.590,  66.276)  ( 0.01,  0.34,  0.10)
178:     angle   (  0.733, -57.566, -37.981)  (  0.748, -57.560, -37.972)  ( 1.06,  0.01,  0.02)
178:     torsion (  2.354,   5.244, -42.997)  (  2.354,   5.247, -42.997)  ( 0.01,  0.06,  0.00)
178:     vdw     (  5.596, -11.059,   1.056)  (  5.596, -11.058,   1.056)  ( 0.00,  0.01,  0.00)
178:     electro (  0.896,  -0.266,  -0.089)  (  0.896,  -0.266,  -0.089)  ( 0.00,  0.00,  0.00)
178:  9       ( 53.979, -50.957, -165.826)  ( 53.991, -50.942, -165.779)  ( 0.02,  0.03,  0.03)
178:     bond    ( 56.519, -79.843, -150.792)  ( 56.526, -79.830, -150.746)  ( 0.01,  0.02,  0.03)
178:     angle   (-10.922,  -2.355,  -2.847)  (-10.917,  -2.355,  -2.846)  ( 0.04,  0.01,  0.01)
178:     torsion ( -3.071,  52.160, -28.774)  ( -3.071,  52.160, -28.774)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 11.731, -21.333,  17.254)  ( 11.732, -21.332,  17.254)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.278,   0.414,  -0.667)  ( -0.278,   0.414,  -0.667)  ( 0.00,  0.00,  0.00)
178: 10       (902.852, -191.252, -156.971)  (902.958, -191.166, -156.961)  ( 0.01,  0.05,  0.01)
178:     bond    (1009.544, -205.757, -159.927)  (1009.639, -205.682, -159.922)  ( 0.01,  0.04,  0.00)
178:     angle   (-118.889,  28.667, -37.671)  (-118.878,  28.678, -37.668)  ( 0.01,  0.04,  0.01)
178:     torsion (  5.313, -17.875,  36.215)  (  5.313, -17.874,  36.217)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.885,   3.712,   4.412)  (  6.885,   3.712,   4.412)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (319.105, -323.366, 188.016)  (319.191, -323.286, 188.027)  ( 0.03,  0.02,  0.01)
178:     bond    (249.730, -328.174,  79.290)  (249.802, -328.108,  79.298)  ( 0.03,  0.02,  0.01)
178:     angle   ( 68.513,  15.709, 114.859)  ( 68.526,  15.722, 114.861)  ( 0.02,  0.08,  0.00)
178:     torsion (  2.045,  -6.876,  -5.315)  (  2.045,  -6.876,  -5.314)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.183,  -4.025,  -0.819)  ( -1.183,  -4.025,  -0.819)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (792.462, 567.885, -81.270)  (792.541, 567.969, -81.256)  ( 0.01,  0.01,  0.02)
178:     bond    (843.893, 675.743, -78.173)  (843.959, 675.813, -78.163)  ( 0.01,  0.01,  0.01)
178:     angle   (-49.137, -108.267,  -6.420)  (-49.125, -108.254,  -6.418)  ( 0.03,  0.01,  0.04)
178:     torsion ( -0.622,   0.403,   3.289)  ( -0.622,   0.403,   3.291)  ( 0.00,  0.00,  0.07)
178:     vdw     ( -1.673,   0.006,   0.034)  ( -1.673,   0.006,   0.034)  ( 0.00,  0.00,  0.00)
174: ok 519 # charge
174: ok 520 # charge
174: ok 521 # charge
174: ok 522 # charge
174: ok 523 # charge
174: ok 524 # charge
174: ok 525 # charge
174: ok 526 # charge
174: ok 527 # charge
174: ok 528 # charge
174: ok 529 # charge
174: ok 530 # charge
174: ok 531 # charge
174: ok 532 # charge
174: ok 533 # charge
174: ok 534 # charge
174: ok 535 # dipole
174: ok 536 # charge
174: ok 537 # charge
174: ok 538 # charge
174: ok 539 # charge
174: ok 540 # charge
174: ok 541 # charge
174: ok 542 # charge
174: ok 543 # charge
174: ok 544 # charge
174: ok 545 # charge
174: ok 546 # charge
174: ok 547 # charge
174: ok 548 # charge
174: ok 549 # charge
174: ok 550 # charge
174: ok 551 # charge
174: ok 552 # charge
174: ok 553 # charge
174: ok 554 # charge
174: ok 555 # charge
174: ok 556 # charge
174: ok 557 # charge
174: ok 558 # charge
174: ok 559 # charge
174: ok 560 # charge
174: ok 561 # charge
174: ok 562 # charge
174: ok 563 # dipole
174: ok 564 # charge
174: ok 565 # charge
174: ok 566 # charge
174: ok 567 # charge
174: ok 568 # charge
174: ok 569 # charge
174: ok 570 # charge
174: ok 571 # charge
174: ok 572 # charge
174: ok 573 # charge
174: ok 574 # charge
174: ok 575 # charge
174: ok 576 # charge
174: ok 577 # charge
174: ok 578 # charge
174: ok 579 # charge
174: ok 580 # charge
174: ok 581 # charge
174: ok 582 # charge
174: ok 583 # charge
174: ok 584 # charge
174: ok 585 # charge
174: ok 586 # charge
174: ok 587 # charge
174: ok 588 # charge
174: ok 589 # charge
174: ok 590 # charge
174: ok 591 # charge
174: ok 592 # charge
174: ok 593 # charge
174: ok 594 # charge
174: ok 595 # charge
174: ok 596 # charge
174: ok 597 # charge
174: ok 598 # charge
174: ok 599 # charge
174: ok 600 # charge
174: ok 601 # charge
174: ok 602 # charge
174: ok 603 # charge
174: ok 604 # charge
174: ok 605 # charge
174: ok 606 # charge
174: ok 607 # charge
174: ok 608 # charge
174: ok 609 # charge
174: ok 610 # charge
174: ok 611 # charge
174: ok 612 # charge
174: ok 613 # charge
174: ok 614 # charge
174: ok 615 # charge
174: ok 616 # charge
174: ok 617 # charge
174: ok 618 # charge
174: ok 619 # charge
174: ok 620 # charge
174: ok 621 # charge
174: ok 622 # charge
174: ok 623 # charge
174: ok 624 # charge
174: ok 625 # charge
174: ok 626 # charge
174: 1..626
177/229 Test #174: test_charge_mmff94_1 .............   Passed   16.37 sec
test 181
        Start 181: test_ffmmff94_3

181: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "3"
181: Environment variables: 
181:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
181:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
181: Test timeout computed to be: 1500
181: # Testing MMFF94 Force Field...
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (312.993, 491.095, -75.433)  (313.079, 491.177, -75.428)  ( 0.03,  0.02,  0.01)
178:     bond    (182.102, 361.399, -39.998)  (182.175, 361.465, -39.996)  ( 0.04,  0.02,  0.00)
178:     angle   (145.132, 114.986, -32.807)  (145.144, 115.001, -32.807)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.088,   1.470,  -3.367)  ( -0.088,   1.470,  -3.364)  ( 0.00,  0.01,  0.08)
178:     vdw     (-14.461,  14.403,   1.413)  (-14.460,  14.404,   1.413)  ( 0.00,  0.00,  0.00)
178:     electro (  0.308,  -1.163,  -0.673)  (  0.308,  -1.163,  -0.673)  ( 0.00,  0.00,  0.00)
178: 14       (-285.814, 354.520,  45.351)  (-285.728, 354.617,  45.355)  ( 0.03,  0.03,  0.01)
178:     bond    (-505.028, 338.173, -11.705)  (-504.956, 338.260, -11.704)  ( 0.01,  0.03,  0.01)
178:     angle   (220.011,  15.873,  61.540)  (220.025,  15.883,  61.539)  ( 0.01,  0.06,  0.00)
178:     torsion ( -1.857,  -2.686,  -4.718)  ( -1.857,  -2.686,  -4.715)  ( 0.00,  0.00,  0.07)
178:     vdw     (  1.060,   3.160,   0.234)  (  1.060,   3.160,   0.234)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       ( 24.507, -209.022, -22.911)  ( 24.604, -208.936, -22.906)  ( 0.39,  0.04,  0.02)
178:     bond    (156.762, -155.422, -28.130)  (156.846, -155.348, -28.128)  ( 0.05,  0.05,  0.01)
178:     angle   (-129.413, -58.792,  -1.964)  (-129.401, -58.781,  -1.965)  ( 0.01,  0.02,  0.02)
178:     torsion ( -1.764,  -0.172,   6.998)  ( -1.763,  -0.172,   7.001)  ( 0.00,  0.00,  0.05)
178:     vdw     ( -1.078,   5.364,   0.186)  ( -1.078,   5.364,   0.186)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (-51.881, -107.783,  -4.907)  (-51.801, -107.693,  -4.901)  ( 0.16,  0.08,  0.12)
178:     bond    ( 22.023, -118.566, -16.321)  ( 22.092, -118.490, -16.319)  ( 0.31,  0.06,  0.01)
178:     angle   (-70.752,   8.239,   6.612)  (-70.740,   8.252,   6.613)  ( 0.02,  0.15,  0.00)
178:     torsion (  0.535,  -0.313,   3.768)  (  0.535,  -0.313,   3.771)  ( 0.00,  0.00,  0.08)
178:     vdw     ( -4.438,   2.873,   2.399)  ( -4.437,   2.873,   2.399)  ( 0.00,  0.01,  0.00)
178:     electro (  0.749,  -0.015,  -1.365)  (  0.749,  -0.015,  -1.365)  ( 0.00,  0.00,  0.00)
178: 17       (-18.930, 107.515,  14.333)  (-18.855, 107.610,  14.339)  ( 0.39,  0.09,  0.04)
178:     bond    (-22.609, 136.062,  16.568)  (-22.547, 136.145,  16.570)  ( 0.27,  0.06,  0.01)
178:     angle   ( 10.531, -26.073,  -5.363)  ( 10.544, -26.061,  -5.363)  ( 0.12,  0.05,  0.01)
178:     torsion (  0.544,  -0.373,   3.400)  (  0.544,  -0.373,   3.403)  ( 0.00,  0.00,  0.09)
178:     vdw     ( -7.858,  -2.132,   0.339)  ( -7.858,  -2.132,   0.339)  ( 0.00,  0.00,  0.00)
178:     electro (  0.462,   0.030,  -0.611)  (  0.462,   0.030,  -0.611)  ( 0.00,  0.00,  0.00)
178: 18       (-65.774, -68.811,  -0.702)  (-65.676, -68.740,  -0.697)  ( 0.15,  0.10,  0.31)
178:     bond    (-91.259, -79.239,   0.226)  (-91.173, -79.180,   0.227)  ( 0.09,  0.07,  0.02)
178:     angle   ( 26.073,  13.883,  -0.908)  ( 26.086,  13.895,  -0.908)  ( 0.05,  0.09,  0.02)
178:     torsion (  0.013,  -0.002,   0.509)  (  0.013,  -0.002,   0.512)  ( 0.00,  0.00,  0.16)
178:     vdw     ( -0.640,  -4.484,  -0.380)  ( -0.640,  -4.484,  -0.380)  ( 0.00,  0.00,  0.00)
178:     electro (  0.039,   1.031,  -0.148)  (  0.039,   1.031,  -0.148)  ( 0.00,  0.00,  0.00)
178: 19       ( 85.150,  81.337,   1.290)  ( 85.231,  81.426,   1.294)  ( 0.10,  0.11,  0.30)
178:     bond    (131.843,  64.348,  -6.215)  (131.912,  64.425,  -6.214)  ( 0.05,  0.12,  0.01)
178:     angle   (-51.578,  20.309,   7.548)  (-51.566,  20.321,   7.548)  ( 0.02,  0.06,  0.00)
178:     torsion (  0.198,  -0.086,   0.969)  (  0.198,  -0.086,   0.972)  ( 0.00,  0.00,  0.30)
178:     vdw     (  5.356,  -3.308,  -0.917)  (  5.356,  -3.308,  -0.917)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.670,   0.074,  -0.094)  ( -0.670,   0.074,  -0.094)  ( 0.00,  0.00,  0.00)
178: 20       (-68.176,  83.937,  12.040)  (-68.102,  84.034,  12.046)  ( 0.11,  0.12,  0.05)
178:     bond    (-174.589, 125.582,  27.601)  (-174.527, 125.666,  27.603)  ( 0.04,  0.07,  0.01)
178:     angle   (103.136, -36.313, -15.162)  (103.148, -36.301, -15.162)  ( 0.01,  0.03,  0.00)
178:     torsion (  0.377,   0.326,   1.382)  (  0.377,   0.326,   1.386)  ( 0.00,  0.00,  0.23)
178:     vdw     (  3.373,  -6.111,  -1.706)  (  3.373,  -6.111,  -1.706)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.473,   0.454,  -0.075)  ( -0.473,   0.454,  -0.075)  ( 0.00,  0.00,  0.00)
178: 21       (-59.411, -82.492, -73.756)  (-59.364, -82.442, -73.714)  ( 0.08,  0.06,  0.06)
178:     bond    ( 12.624, -154.571,  15.639)  ( 12.658, -154.531,  15.674)  ( 0.27,  0.03,  0.22)
178:     angle   (-67.098,  69.417, -105.866)  (-67.085,  69.427, -105.858)  ( 0.02,  0.01,  0.01)
178:     torsion ( -4.653,   3.381,  16.257)  ( -4.653,   3.382,  16.258)  ( 0.01,  0.01,  0.00)
178:     vdw     ( -0.284,  -0.720,   0.213)  ( -0.284,  -0.720,   0.213)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-89.330,  45.460,  51.211)  (-89.280,  45.507,  51.260)  ( 0.05,  0.10,  0.10)
178:     bond    ( 12.839,  22.573,   0.989)  ( 12.876,  22.608,   1.026)  ( 0.29,  0.15,  3.63)
178:     angle   (-100.179,  23.945,  45.961)  (-100.167,  23.957,  45.974)  ( 0.01,  0.05,  0.03)
178:     torsion (  1.924,  -0.079,   2.304)  (  1.924,  -0.078,   2.305)  ( 0.01,  0.00,  0.01)
178:     vdw     ( -3.913,  -0.979,   1.956)  ( -3.913,  -0.979,   1.956)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( 89.639,  97.728, -21.522)  ( 89.689,  97.776, -21.473)  ( 0.06,  0.05,  0.23)
178:     bond    (  2.818,  34.692,   2.637)  (  2.854,  34.728,   2.674)  ( 1.27,  0.10,  1.40)
178:     angle   ( 88.780,  56.032, -24.887)  ( 88.794,  56.044, -24.875)  ( 0.02,  0.02,  0.04)
178:     torsion (  2.091,  -0.939,   5.736)  (  2.091,  -0.939,   5.736)  ( 0.01,  0.02,  0.01)
178:     vdw     ( -4.050,   7.943,  -5.008)  ( -4.050,   7.943,  -5.008)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-1361.064, -716.503,  54.666)  (-1361.020, -716.452,  54.716)  ( 0.00,  0.01,  0.09)
178:     bond    (-1327.632, -815.920,  90.720)  (-1327.597, -815.884,  90.763)  ( 0.00,  0.00,  0.05)
178:     angle   (-37.784, 107.786, -38.227)  (-37.775, 107.801, -38.220)  ( 0.02,  0.01,  0.02)
178:     torsion ( -0.124,  -0.490,  -1.187)  ( -0.124,  -0.490,  -1.187)  ( 0.00,  0.01,  0.07)
178:     vdw     (  4.476,  -7.879,   3.360)  (  4.476,  -7.878,   3.360)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (-43.642, -107.862,  17.641)  (-43.595, -107.812,  17.687)  ( 0.11,  0.05,  0.26)
178:     bond    (-40.433, -20.011,   4.163)  (-40.396, -19.976,   4.199)  ( 0.09,  0.17,  0.87)
178:     angle   (-20.506, -107.609,  15.774)  (-20.497, -107.595,  15.782)  ( 0.05,  0.01,  0.05)
178:     torsion (  1.314,  -4.542,   0.958)  (  1.314,  -4.542,   0.959)  ( 0.01,  0.01,  0.07)
178:     vdw     ( 15.984,  24.300,  -3.254)  ( 15.984,  24.300,  -3.254)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       ( 21.669,  39.887,  -4.938)  ( 21.712,  39.934,  -4.892)  ( 0.20,  0.12,  0.92)
178:     bond    ( 55.866, -14.525, -25.232)  ( 55.900, -14.489, -25.196)  ( 0.06,  0.25,  0.14)
178:     angle   (-35.142,  55.332,  11.882)  (-35.133,  55.344,  11.892)  ( 0.03,  0.02,  0.08)
178:     torsion (  2.117,   1.420,   7.814)  (  2.117,   1.421,   7.814)  ( 0.01,  0.01,  0.01)
178:     vdw     ( -1.173,  -2.341,   0.598)  ( -1.172,  -2.341,   0.598)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (-47.756, -72.759,  -8.387)  (-47.708, -72.711,  -8.342)  ( 0.10,  0.07,  0.54)
178:     bond    (-26.888,  10.352,  -0.511)  (-26.850,  10.387,  -0.476)  ( 0.14,  0.34,  1.83)
178:     angle   (-20.883, -88.530, -20.258)  (-20.873, -88.517, -20.249)  ( 0.05,  0.02,  0.04)
178:     torsion ( -3.007,   3.318,   9.853)  ( -3.006,   3.319,   9.853)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
179:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
179: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
179: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
179: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
179: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
179: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
179: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
179: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
179: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
179: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
179: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
179: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
179: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
178:     vdw     (  3.022,   2.101,   2.529)  (  3.022,   2.101,   2.530)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (-84.354,  30.361, 125.085)  (-84.308,  30.408, 125.129)  ( 0.05,  0.15,  0.04)
178:     bond    (-12.611,  17.684,  62.899)  (-12.576,  17.721,  62.933)  ( 0.28,  0.21,  0.05)
178:     angle   (-69.663,   5.775,  52.412)  (-69.652,   5.785,  52.422)  ( 0.02,  0.16,  0.02)
178:     torsion ( -1.456,   7.503,   9.639)  ( -1.456,   7.503,   9.639)  ( 0.02,  0.00,  0.00)
178:     vdw     ( -0.624,  -0.601,   0.136)  ( -0.624,  -0.601,   0.136)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       (178.239,  59.859, -17.444)  (178.282,  59.908, -17.395)  ( 0.02,  0.08,  0.28)
178:     bond    (128.215,  58.142, -25.742)  (128.248,  58.180, -25.705)  ( 0.03,  0.07,  0.14)
178:     angle   ( 48.331,  15.984,  17.772)  ( 48.341,  15.995,  17.783)  ( 0.02,  0.07,  0.07)
178:     torsion ( -3.523,  -9.583,   6.545)  ( -3.523,  -9.583,   6.545)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.216,  -4.685, -16.019)  (  5.216,  -4.685, -16.019)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (-425.815,  33.516, -847.680)  (-425.779,  33.549, -847.604)  ( 0.01,  0.10,  0.01)
178:     bond    (-248.539, 199.821, -757.719)  (-248.512, 199.849, -757.651)  ( 0.01,  0.01,  0.01)
178:     angle   (-200.524, -157.469, -57.618)  (-200.516, -157.463, -57.611)  ( 0.00,  0.00,  0.01)
178:     torsion (  5.066,  -6.424,   2.469)  (  5.066,  -6.424,   2.469)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 17.443,  -2.235, -30.948)  ( 17.444,  -2.235, -30.947)  ( 0.00,  0.00,  0.00)
178:     electro (  0.739,  -0.178,  -3.864)  (  0.739,  -0.178,  -3.864)  ( 0.00,  0.00,  0.00)
178: 31       ( 89.548, -195.391, 508.761)  ( 89.554, -195.371, 508.809)  ( 0.01,  0.01,  0.01)
178:     bond    (-48.172, -271.651, 450.146)  (-48.169, -271.632, 450.194)  ( 0.01,  0.01,  0.01)
178:     angle   (132.809,  73.117,  58.328)  (132.813,  73.118,  58.328)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.761,  -1.047,  -0.550)  (  0.761,  -1.047,  -0.550)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.864,   4.131,   0.125)  (  3.864,   4.131,   0.125)  ( 0.00,  0.00,  0.00)
178:     electro (  0.286,   0.059,   0.714)  (  0.286,   0.059,   0.714)  ( 0.00,  0.00,  0.00)
178: 32       (488.893, 102.091,  99.940)  (488.908, 102.091,  99.964)  ( 0.00,  0.00,  0.02)
178:     bond    (211.229,   6.631, 313.253)  (211.237,   6.629, 313.272)  ( 0.00,  0.02,  0.01)
178:     angle   ( 68.266,  79.408, -47.714)  ( 68.268,  79.410, -47.713)  ( 0.00,  0.00,  0.00)
178:     torsion ( -3.055,   4.182,   1.971)  ( -3.055,   4.182,   1.971)  ( 0.00,  0.00,  0.00)
178:     vdw     (212.452,  11.871, -167.570)  (212.458,  11.870, -167.567)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       ( 45.088, 208.770, -23.706)  ( 45.090, 208.818, -23.678)  ( 0.01,  0.02,  0.12)
178:     bond    ( 16.304, 200.345,  -7.007)  ( 16.306, 200.392,  -6.985)  ( 0.01,  0.02,  0.31)
178:     angle   ( 41.809,   0.611, -15.434)  ( 41.811,   0.613, -15.429)  ( 0.01,  0.10,  0.04)
178:     torsion (-15.671,   2.926,  -2.202)  (-15.672,   2.926,  -2.202)  ( 0.01,  0.00,  0.00)
178:     vdw     (  5.020,   3.888,   1.339)  (  5.021,   3.888,   1.339)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.375,   0.999,  -0.401)  ( -2.375,   0.999,  -0.401)  ( 0.00,  0.00,  0.00)
178: 34       (355.299,  31.343, -78.600)  (355.346,  31.349, -78.570)  ( 0.01,  0.02,  0.04)
178:     bond    (311.200,  51.966, -29.253)  (311.243,  51.969, -29.228)  ( 0.01,  0.01,  0.09)
178:     angle   ( 33.558,   7.472, -51.143)  ( 33.561,   7.474, -51.139)  ( 0.01,  0.03,  0.01)
178:     torsion (  6.518, -34.470,  -2.904)  (  6.518, -34.469,  -2.904)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.574,   5.965,   4.845)  (  1.574,   5.965,   4.845)  ( 0.01,  0.00,  0.00)
178:     electro (  2.450,   0.409,  -0.145)  (  2.450,   0.409,  -0.145)  ( 0.00,  0.00,  0.00)
178: 35       ( 13.120,  -4.680,  -3.985)  ( 13.149,  -4.674,  -3.983)  ( 0.22,  0.11,  0.04)
181: ok 1 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : 
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
178:     bond    ( 16.867,  -0.230,  -1.803)  ( 16.896,  -0.230,  -1.803)  ( 0.17,  0.00,  0.02)
178:     angle   ( -0.250,  -5.004,  -1.704)  ( -0.250,  -4.999,  -1.703)  ( 0.00,  0.10,  0.03)
178:     torsion ( -0.098,   0.340,  -0.959)  ( -0.098,   0.340,  -0.958)  ( 0.00,  0.00,  0.06)
178:     vdw     ( -2.257,   0.053,   0.249)  ( -2.257,   0.053,   0.249)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.143,   0.162,   0.231)  ( -1.143,   0.162,   0.231)  ( 0.00,  0.00,  0.00)
178: 36       (  0.006, -15.359,  -3.544)  (  0.016, -15.338,  -3.540)  ( 0.01,  0.14,  0.10)
178:     bond    (  7.720, -14.222,  -5.441)  (  7.726, -14.202,  -5.438)  ( 0.08,  0.14,  0.06)
178:     angle   ( -6.523,  -3.314,  -0.610)  ( -6.519,  -3.312,  -0.610)  ( 0.07,  0.03,  0.00)
178:     torsion (  0.113,  -0.467,   1.379)  (  0.113,  -0.467,   1.380)  ( 0.00,  0.00,  0.05)
178:     vdw     ( -1.472,   1.894,   0.739)  ( -1.472,   1.894,   0.739)  ( 0.01,  0.00,  0.00)
178:     electro (  0.168,   0.749,   0.389)  (  0.168,   0.749,   0.389)  ( 0.00,  0.00,  0.00)
178: 37       ( -1.645, -23.765, -11.107)  ( -1.633, -23.744, -11.104)  ( 0.76,  0.09,  0.02)
178:     bond    ( -8.146, -13.043,  -3.758)  ( -8.138, -13.023,  -3.756)  ( 0.09,  0.15,  0.05)
178:     angle   ( 22.101, -12.124,  -5.860)  ( 22.105, -12.123,  -5.860)  ( 0.02,  0.01,  0.01)
178:     torsion (  0.229,  -0.865,   2.502)  (  0.229,  -0.865,   2.503)  ( 0.00,  0.01,  0.03)
178:     vdw     (-17.378,   2.284,  -4.976)  (-17.377,   2.284,  -4.976)  ( 0.00,  0.01,  0.00)
178:     electro (  1.549,  -0.016,   0.985)  (  1.549,  -0.016,   0.985)  ( 0.00,  0.00,  0.00)
178: 38       (  8.408,  13.534,   1.843)  (  8.418,  13.556,   1.846)  ( 0.13,  0.16,  0.20)
178:     bond    ( -4.650,   8.801,   3.291)  ( -4.644,   8.822,   3.294)  ( 0.12,  0.23,  0.09)
178:     angle   ( 17.462,   8.623,   1.530)  ( 17.466,   8.624,   1.530)  ( 0.03,  0.01,  0.00)
178:     torsion ( -0.168,   0.870,  -2.570)  ( -0.168,   0.870,  -2.569)  ( 0.00,  0.01,  0.03)
178:     vdw     ( -3.024,  -4.212,  -0.222)  ( -3.024,  -4.212,  -0.222)  ( 0.01,  0.00,  0.00)
178:     electro ( -1.211,  -0.549,  -0.187)  ( -1.211,  -0.549,  -0.187)  ( 0.00,  0.00,  0.00)
178: 39       ( 10.765,   9.918,  -1.617)  ( 10.778,   9.939,  -1.615)  ( 0.12,  0.21,  0.15)
178:     bond    (  8.882,  13.515,   3.463)  (  8.890,  13.534,   3.465)  ( 0.09,  0.14,  0.04)
178:     angle   (  3.987,  -2.305,  -1.242)  (  3.991,  -2.304,  -1.242)  ( 0.10,  0.06,  0.03)
178:     torsion ( -0.368,   1.081,  -3.282)  ( -0.368,   1.082,  -3.282)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -1.312,  -1.866,  -0.453)  ( -1.312,  -1.866,  -0.453)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.425,  -0.508,  -0.102)  ( -0.425,  -0.508,  -0.102)  ( 0.00,  0.00,  0.00)
178: 40       (-19.395, 112.685, -25.588)  (-19.386, 112.700, -25.575)  ( 0.05,  0.01,  0.05)
178:     bond    (-28.621,  47.221,  42.215)  (-28.616,  47.235,  42.226)  ( 0.02,  0.03,  0.03)
178:     angle   ( -8.824,   0.753,  -6.820)  ( -8.821,   0.753,  -6.820)  ( 0.04,  0.03,  0.01)
178:     torsion ( 17.980,  42.007, -34.806)  ( 17.980,  42.007, -34.805)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.332,  20.683, -26.047)  ( -2.331,  20.683, -26.047)  ( 0.02,  0.00,  0.00)
178:     electro (  2.402,   2.022,  -0.130)  (  2.402,   2.022,  -0.130)  ( 0.00,  0.00,  0.00)
178: 41       (-69.377, -53.313,  26.652)  (-69.353, -53.296,  26.653)  ( 0.03,  0.03,  0.00)
178:     bond    ( 32.496, -18.726,   5.332)  ( 32.517, -18.719,   5.332)  ( 0.07,  0.04,  0.01)
178:     angle   (-53.205, -90.112,   8.124)  (-53.204, -90.108,   8.124)  ( 0.00,  0.01,  0.00)
178:     torsion (  1.029,  -1.765, -12.473)  (  1.029,  -1.765, -12.473)  ( 0.00,  0.00,  0.01)
178:     vdw     (-49.387,  55.775,  24.800)  (-49.386,  55.780,  24.800)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.309,   1.516,   0.870)  ( -0.309,   1.516,   0.870)  ( 0.00,  0.00,  0.00)
178: 42       ( 19.714,  21.792,  18.497)  ( 19.735,  21.805,  18.499)  ( 0.11,  0.06,  0.01)
178:     bond    (-10.363,   6.911,   2.336)  (-10.343,   6.920,   2.337)  ( 0.19,  0.12,  0.04)
178:     angle   ( 26.400,  39.285,   0.517)  ( 26.401,  39.289,   0.517)  ( 0.01,  0.01,  0.00)
178:     torsion ( -1.585,   1.240, -10.682)  ( -1.584,   1.240, -10.682)  ( 0.00,  0.00,  0.01)
178:     vdw     (  5.474, -26.880,  23.842)  (  5.474, -26.879,  23.843)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.212,   1.236,   2.483)  ( -0.212,   1.236,   2.483)  ( 0.00,  0.00,  0.00)
178: 43       (  9.715,   8.359,   2.930)  (  9.740,   8.368,   2.931)  ( 0.26,  0.11,  0.03)
178:     bond    ( 14.301,   6.147,  -0.831)  ( 14.325,   6.152,  -0.830)  ( 0.17,  0.07,  0.01)
178:     angle   ( -1.761,   4.174,   0.598)  ( -1.760,   4.179,   0.598)  ( 0.05,  0.11,  0.01)
178:     torsion (  0.282,  -0.288,   2.724)  (  0.282,  -0.288,   2.725)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -2.337,  -1.262,  -0.140)  ( -2.337,  -1.262,  -0.140)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.770,  -0.413,   0.578)  ( -0.770,  -0.413,   0.578)  ( 0.00,  0.00,  0.00)
178: 44       ( -8.045,   9.666,   3.235)  ( -8.039,   9.694,   3.236)  ( 0.08,  0.29,  0.03)
178:     bond    (  1.544,  12.383,   1.114)  (  1.545,  12.412,   1.114)  ( 0.03,  0.23,  0.03)
178:     angle   ( -9.291,   1.062,   1.043)  ( -9.286,   1.062,   1.043)  ( 0.06,  0.01,  0.00)
178:     torsion (  0.121,  -0.133,   1.312)  (  0.121,  -0.133,   1.313)  ( 0.00,  0.00,  0.06)
178:     vdw     ( -0.297,  -2.246,  -0.246)  ( -0.297,  -2.246,  -0.246)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.122,  -1.401,   0.012)  ( -0.122,  -1.401,   0.012)  ( 0.00,  0.00,  0.00)
178: 45       (-20.489,  -1.793,  -0.197)  (-20.468,  -1.779,  -0.196)  ( 0.10,  0.77,  0.02)
178:     bond    (-15.530,  11.287,   2.391)  (-15.511,  11.296,   2.392)  ( 0.12,  0.09,  0.02)
178:     angle   ( -7.148,  -9.776,  -0.187)  ( -7.146,  -9.773,  -0.187)  ( 0.03,  0.04,  0.00)
178:     torsion ( -0.198,   0.179,  -2.132)  ( -0.198,   0.179,  -2.132)  ( 0.00,  0.00,  0.04)
178:     vdw     (  1.583,  -2.939,  -0.285)  (  1.583,  -2.939,  -0.285)  ( 0.00,  0.01,  0.00)
178:     electro (  0.804,  -0.544,   0.016)  (  0.804,  -0.544,   0.016)  ( 0.00,  0.00,  0.00)
178: 46       (-46.238, -62.524, -18.907)  (-46.212, -62.511, -18.906)  ( 0.06,  0.02,  0.01)
178:     bond    (-11.826,  -4.182,   1.104)  (-11.800,  -4.179,   1.104)  ( 0.22,  0.08,  0.03)
178:     angle   (-21.089,  61.421,   7.120)  (-21.088,  61.427,   7.120)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.097,   0.023,  -0.953)  ( -0.097,   0.023,  -0.953)  ( 0.00,  0.00,  0.07)
178:     vdw     (-12.557, -119.814, -26.018)  (-12.557, -119.810, -26.019)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.669,   0.028,  -0.158)  ( -0.669,   0.028,  -0.158)  ( 0.00,  0.00,  0.00)
178: 47       ( -5.094,   7.629,  -4.637)  ( -5.086,   7.633,  -4.614)  ( 0.15,  0.05,  0.49)
178:     bond    (  0.337,   0.107,   0.688)  (  0.343,   0.108,   0.710)  ( 0.17,  0.01,  1.52)
178:     angle   ( -5.784,   5.773,   1.912)  ( -5.782,   5.776,   1.912)  ( 0.04,  0.05,  0.03)
178:     torsion (  1.105,   8.313,  -1.798)  (  1.105,   8.313,  -1.798)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.752,  -6.565,  -5.438)  ( -0.752,  -6.564,  -5.438)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 48       (-12.714, -49.529,  -2.800)  (-12.692, -49.520,  -2.796)  ( 0.18,  0.02,  0.15)
178:     bond    (-45.403, -22.360,  -5.878)  (-45.381, -22.354,  -5.878)  ( 0.05,  0.02,  0.00)
178:     angle   ( 25.355, -52.296,   3.108)  ( 25.356, -52.292,   3.112)  ( 0.00,  0.01,  0.12)
178:     torsion (  2.076,  -5.961,   6.639)  (  2.076,  -5.961,   6.639)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.257,  31.087,  -6.670)  (  5.257,  31.088,  -6.669)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 49       ( 29.104, -15.468,  26.637)  ( 29.109, -15.464,  26.663)  ( 0.02,  0.02,  0.10)
178:     bond    (  8.691,  -1.170,  31.882)  (  8.693,  -1.171,  31.908)  ( 0.02,  0.01,  0.08)
178:     angle   ( 17.852, -22.195,  -5.679)  ( 17.856, -22.191,  -5.679)  ( 0.02,  0.02,  0.00)
178:     torsion (  3.717,   7.207,  -0.748)  (  3.717,   7.207,  -0.748)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.156,   0.690,   1.183)  ( -1.156,   0.690,   1.183)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
181:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
181:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
181:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
181:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
181:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
181:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
181:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
181:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
181:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
181:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
181:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
181:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
181:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
181:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
181:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
181:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
181:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
181:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
181:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
181:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
181:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
181:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
181:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
181:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
181:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
181:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
181:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
181:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
181:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
181:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
181:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
181:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
178: 50       ( 17.226,  18.672,  -6.621)  ( 17.231,  18.698,  -6.616)  ( 0.03,  0.14,  0.08)
178:     bond    ( -2.772,  16.961,  -4.316)  ( -2.771,  16.986,  -4.315)  ( 0.02,  0.15,  0.04)
178:     angle   ( 54.172,   5.135, -14.584)  ( 54.176,   5.135, -14.580)  ( 0.01,  0.01,  0.02)
178:     torsion ( -5.480,  -2.138,  -4.896)  ( -5.480,  -2.138,  -4.896)  ( 0.00,  0.00,  0.00)
178:     vdw     (-28.694,  -1.286,  17.174)  (-28.693,  -1.286,  17.174)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 51       (-33.794,  24.274, -40.682)  (-33.779,  24.281, -40.666)  ( 0.04,  0.03,  0.04)
178:     bond    ( 30.352, -12.598, -34.901)  ( 30.363, -12.597, -34.887)  ( 0.04,  0.01,  0.04)
178:     angle   (  7.193, -51.789,  24.959)  (  7.196, -51.786,  24.961)  ( 0.03,  0.01,  0.01)
178:     torsion (  2.155,  -1.693,   2.487)  (  2.155,  -1.693,   2.487)  ( 0.00,  0.00,  0.00)
178:     vdw     (-73.494,  90.354, -33.227)  (-73.493,  90.357, -33.227)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 52       (-24.612,   5.524,  -7.324)  (-24.604,   5.545,  -7.317)  ( 0.03,  0.39,  0.09)
178:     bond    ( -6.378,  13.625,  -4.792)  ( -6.374,  13.645,  -4.789)  ( 0.07,  0.15,  0.05)
178:     angle   (-44.477, -15.621,  14.682)  (-44.474, -15.620,  14.686)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.169,  -0.561,  -1.823)  (  0.169,  -0.560,  -1.822)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 26.075,   8.080, -15.392)  ( 26.075,   8.080, -15.392)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 53       ( -3.184,  -0.113,  25.824)  ( -3.174,  -0.108,  25.845)  ( 0.33,  0.06,  0.08)
178:     bond    ( 16.833,   6.637,  27.999)  ( 16.840,   6.638,  28.018)  ( 0.04,  0.01,  0.07)
178:     angle   (  4.218, -41.377,   7.264)  (  4.221, -41.373,   7.265)  ( 0.07,  0.01,  0.02)
178:     torsion ( -0.788,   0.868,   0.268)  ( -0.788,   0.868,   0.268)  ( 0.01,  0.01,  0.00)
178:     vdw     (-23.447,  33.759,  -9.706)  (-23.447,  33.760,  -9.706)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 54       ( 81.847, -35.310,  -1.568)  ( 81.851, -35.301,  -1.545)  ( 0.01,  0.03,  1.51)
178:     bond    (  1.892,  19.246, -43.726)  (  1.892,  19.250, -43.702)  ( 0.01,  0.02,  0.05)
178:     angle   (  2.957,  31.634,  14.063)  (  2.960,  31.638,  14.064)  ( 0.10,  0.01,  0.00)
178:     torsion (  1.196,   2.026,   0.944)  (  1.196,   2.026,   0.944)  ( 0.00,  0.01,  0.00)
178:     vdw     ( 75.802, -88.217,  27.149)  ( 75.804, -88.215,  27.149)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 55       ( 40.739,  13.177,  25.000)  ( 40.743,  13.194,  25.016)  ( 0.01,  0.13,  0.06)
178:     bond    ( -1.726,  27.095,  26.826)  ( -1.726,  27.109,  26.840)  ( 0.01,  0.05,  0.05)
178:     angle   ( 22.711,  16.443, -15.151)  ( 22.714,  16.445, -15.149)  ( 0.01,  0.01,  0.01)
178:     torsion ( -1.073,  -1.363,   1.308)  ( -1.073,  -1.363,   1.308)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 20.827, -28.997,  12.017)  ( 20.828, -28.996,  12.017)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 56       ( 27.462,  23.808,  27.353)  ( 27.466,  23.818,  27.375)  ( 0.02,  0.04,  0.08)
178:     bond    ( -0.412,  -4.156,   7.487)  ( -0.412,  -4.149,   7.508)  ( 0.00,  0.16,  0.28)
178:     angle   ( -6.861,   6.239,   3.072)  ( -6.858,   6.242,   3.073)  ( 0.04,  0.04,  0.03)
178:     torsion (  3.628,  -1.846,  -0.821)  (  3.628,  -1.846,  -0.821)  ( 0.00,  0.01,  0.00)
178:     vdw     ( 31.106,  23.571,  17.615)  ( 31.107,  23.572,  17.615)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 57       (  5.898,   8.179, -34.688)  (  5.902,   8.194, -34.671)  ( 0.07,  0.18,  0.05)
178:     bond    (  0.673, -10.054, -10.747)  (  0.673, -10.041, -10.733)  ( 0.00,  0.13,  0.14)
178:     angle   (  2.789,   9.500,  -8.716)  (  2.792,   9.501,  -8.714)  ( 0.10,  0.02,  0.02)
181:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
181:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
181:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
181:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
181:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
181:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
181:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
181:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
181:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
181:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
181:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
181:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
181:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
181:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
181:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
181:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
181:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
181:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
181:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
181: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
181:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
181:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
181:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
181:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
181:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
181: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
181:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
181:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
181:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
181:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
181:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
181:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
181: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
178:     torsion ( -3.331,   3.439,  -3.426)  ( -3.331,   3.439,  -3.426)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.767,   5.294, -11.798)  (  5.768,   5.295, -11.798)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 58       ( -5.885,  -8.931, -52.790)  ( -5.882,  -8.918, -52.771)  ( 0.05,  0.14,  0.04)
178:     bond    (  0.309,  11.548, -14.901)  (  0.309,  11.558, -14.884)  ( 0.00,  0.09,  0.12)
178:     angle   ( -5.702,  -5.199,  -4.155)  ( -5.699,  -5.197,  -4.154)  ( 0.05,  0.03,  0.03)
178:     torsion ( -0.002,  -2.821,  -2.191)  ( -0.002,  -2.821,  -2.191)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.490, -12.458, -31.543)  ( -0.490, -12.458, -31.542)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 59       (  9.458,  -4.008,  17.326)  (  9.462,  -3.993,  17.342)  ( 0.04,  0.36,  0.10)
178:     bond    ( -0.858,  -7.737,   8.410)  ( -0.858,  -7.725,   8.425)  ( 0.01,  0.16,  0.18)
178:     angle   (  0.951,  16.311,  15.052)  (  0.953,  16.313,  15.053)  ( 0.28,  0.01,  0.01)
178:     torsion (  6.189,  -5.933,  -4.809)  (  6.189,  -5.933,  -4.809)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.178,  -6.649,  -1.327)  (  3.178,  -6.649,  -1.327)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 60       (  1.202,   7.569, -16.604)  (  1.206,   7.579, -16.583)  ( 0.36,  0.13,  0.13)
178:     bond    ( -0.741,  -4.985,  -8.670)  ( -0.741,  -4.978,  -8.650)  ( 0.01,  0.14,  0.24)
178:     angle   ( 19.298,  11.561,  -8.309)  ( 19.301,  11.564,  -8.308)  ( 0.02,  0.02,  0.01)
178:     torsion ( -4.603,   8.550,  -4.527)  ( -4.603,   8.550,  -4.527)  ( 0.00,  0.00,  0.00)
178:     vdw     (-12.753,  -7.557,   4.902)  (-12.751,  -7.557,   4.902)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 61       (  0.222,  16.889, -44.780)  (  0.225,  16.915, -44.775)  ( 0.08,  0.15,  0.01)
178:     bond    ( -1.386,  20.860,  -6.064)  ( -1.386,  20.885,  -6.062)  ( 0.00,  0.12,  0.03)
178:     angle   ( -3.325,  -5.687, -18.836)  ( -3.322,  -5.687, -18.834)  ( 0.08,  0.00,  0.01)
178:     torsion (  7.603,  -5.139, -19.445)  (  7.603,  -5.139, -19.445)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.671,   6.856,  -0.436)  ( -2.671,   6.856,  -0.435)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 62       (-11.163, -22.804,  19.699)  (-11.158, -22.782,  19.706)  ( 0.04,  0.10,  0.04)
178:     bond    (  5.612, -18.339,   8.759)  (  5.614, -18.318,   8.764)  ( 0.03,  0.11,  0.05)
178:     angle   (-10.045,   6.500,  20.018)  (-10.042,   6.501,  20.021)  ( 0.02,  0.01,  0.02)
178:     torsion ( -6.192,  -3.697,  -3.761)  ( -6.192,  -3.697,  -3.761)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.538,  -7.268,  -5.318)  ( -0.538,  -7.268,  -5.318)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 63       ( -7.929,  12.434, -29.237)  ( -7.923,  12.439, -29.213)  ( 0.08,  0.04,  0.08)
178:     bond    ( -8.382,  -4.333, -22.492)  ( -8.379,  -4.333, -22.469)  ( 0.04,  0.02,  0.10)
178:     angle   (-19.664,  13.436,   4.740)  (-19.662,  13.440,   4.740)  ( 0.01,  0.03,  0.01)
178:     torsion (  2.869,   6.025,  -2.232)  (  2.869,   6.025,  -2.232)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 17.248,  -2.694,  -9.253)  ( 17.248,  -2.694,  -9.253)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 64       ( -4.731, -155.892,  91.597)  ( -4.731, -155.852,  91.604)  ( 0.01,  0.03,  0.01)
178:     bond    (-17.037, -174.637,  46.452)  (-17.036, -174.598,  46.456)  ( 0.01,  0.02,  0.01)
178:     angle   ( -0.653,   3.633,  13.413)  ( -0.653,   3.633,  13.415)  ( 0.00,  0.01,  0.02)
178:     torsion ( 11.026,  -0.870,   0.773)  ( 11.026,  -0.870,   0.773)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.985,  17.333,  30.587)  (  0.985,  17.333,  30.588)  ( 0.01,  0.00,  0.00)
178:     electro (  0.947,  -1.351,   0.372)  (  0.947,  -1.351,   0.372)  ( 0.00,  0.00,  0.00)
178: 65       (-537.893, -18.195, 271.533)  (-537.846, -18.192, 271.542)  ( 0.01,  0.01,  0.00)
178:     bond    (-318.057, -51.391,   7.139)  (-318.016, -51.389,   7.141)  ( 0.01,  0.01,  0.02)
178:     angle   (  1.368,  -2.834,  40.547)  (  1.369,  -2.834,  40.550)  ( 0.00,  0.00,  0.01)
178:     torsion ( -6.132,  38.351,   2.887)  ( -6.132,  38.352,   2.887)  ( 0.00,  0.00,  0.00)
178:     vdw     (-212.980,  -2.100, 217.731)  (-212.975,  -2.101, 217.735)  ( 0.00,  0.03,  0.00)
178:     electro ( -2.092,  -0.220,   3.229)  ( -2.092,  -0.220,   3.229)  ( 0.00,  0.00,  0.00)
178: ok 14 # gradients 
178: ok 15 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (166.260, -124.810, -60.501)  (166.338, -124.744, -60.475)  ( 0.05,  0.05,  0.04)
178:     bond    (-26.883, -147.726, -90.013)  (-26.816, -147.672, -89.993)  ( 0.25,  0.04,  0.02)
178:     angle   (190.780,  16.997,  38.464)  (190.792,  17.008,  38.468)  ( 0.01,  0.06,  0.01)
178:     torsion (  1.643,   5.589,  -9.269)  (  1.643,   5.590,  -9.267)  ( 0.00,  0.01,  0.02)
178:     vdw     (  1.136,   0.027,   0.420)  (  1.136,   0.027,   0.420)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.417,   0.303,  -0.103)  ( -0.417,   0.303,  -0.103)  ( 0.00,  0.00,  0.00)
178:  2       (-297.442,  96.061,  13.554)  (-297.360,  96.124,  13.580)  ( 0.03,  0.07,  0.19)
178:     bond    (-129.145, 138.142,  49.204)  (-129.074, 138.195,  49.224)  ( 0.06,  0.04,  0.04)
178:     angle   (-166.550, -33.495, -45.045)  (-166.539, -33.485, -45.042)  ( 0.01,  0.03,  0.01)
178:     torsion ( -2.365,  -6.507,  10.958)  ( -2.365,  -6.506,  10.961)  ( 0.01,  0.01,  0.02)
178:     vdw     (  0.160,  -1.116,  -0.733)  (  0.160,  -1.116,  -0.733)  ( 0.00,  0.00,  0.00)
178:     electro (  0.459,  -0.964,  -0.830)  (  0.459,  -0.964,  -0.830)  ( 0.00,  0.00,  0.00)
178:  3       ( -9.374,  44.901,  10.754)  ( -9.292,  44.960,  10.779)  ( 0.88,  0.13,  0.23)
178:     bond    ( 19.883, -14.941,   1.560)  ( 19.953, -14.890,   1.579)  ( 0.35,  0.34,  1.26)
178:     angle   (-34.122,  46.870,  31.364)  (-34.110,  46.878,  31.368)  ( 0.03,  0.02,  0.01)
178:     torsion (  4.521,  13.586, -22.108)  (  4.521,  13.587, -22.106)  ( 0.00,  0.01,  0.01)
178:     vdw     (  0.345,  -0.614,  -0.062)  (  0.345,  -0.614,  -0.062)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-124.051, -215.622, -108.163)  (-123.960, -215.557, -108.137)  ( 0.07,  0.03,  0.02)
178:     bond    (-57.493, -82.447, -62.641)  (-57.414, -82.393, -62.620)  ( 0.14,  0.06,  0.03)
178:     angle   (-65.102, -130.239, -41.819)  (-65.090, -130.228, -41.816)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.390,  -1.566,  -3.103)  ( -0.390,  -1.565,  -3.101)  ( 0.00,  0.06,  0.06)
178:     vdw     ( -1.066,  -1.370,  -0.600)  ( -1.066,  -1.370,  -0.600)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-96.373, -281.104, -157.053)  (-96.286, -281.046, -157.025)  ( 0.09,  0.02,  0.02)
178:     bond    ( 35.164, -188.308, -106.187)  ( 35.239, -188.263, -106.166)  ( 0.21,  0.02,  0.02)
178:     angle   (-128.195, -84.691, -69.739)  (-128.183, -84.679, -69.735)  ( 0.01,  0.01,  0.01)
178:     torsion ( -3.475, -11.451,  18.110)  ( -3.475, -11.450,  18.112)  ( 0.00,  0.01,  0.01)
178:     vdw     (  0.841,   0.225,   0.383)  (  0.841,   0.225,   0.383)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.709,   3.122,   0.381)  ( -0.709,   3.122,   0.381)  ( 0.00,  0.00,  0.00)
178:  6       (135.392, 231.857,  41.616)  (135.485, 231.944,  41.619)  ( 0.07,  0.04,  0.01)
178:     bond    ( 63.298,  98.989, -13.836)  ( 63.378,  99.062, -13.837)  ( 0.13,  0.07,  0.00)
178:     angle   ( 70.873, 127.550,  32.227)  ( 70.885, 127.563,  32.227)  ( 0.02,  0.01,  0.00)
178:     torsion (  0.010,   3.655,  22.816)  (  0.010,   3.656,  22.819)  ( 0.00,  0.01,  0.01)
178:     vdw     (  1.212,   1.662,   0.409)  (  1.212,   1.662,   0.409)  ( 0.00,  0.00,  0.00)
180:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
180:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
180:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
180:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
180:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
180:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
180:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
180:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
180:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
180:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
180:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
180:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
180:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
180:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
180:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
180:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
180:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
180:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
180:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
180:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
180:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
180:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
180:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
180:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
180:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
180:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
180:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
180:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
180:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
180:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
180:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
180:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
180:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
180:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
180:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
180:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
180:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
180:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
180:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
180:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
180:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
180:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (123.249, 325.409, -71.352)  (123.338, 325.486, -71.347)  ( 0.07,  0.02,  0.01)
178:     bond    (-21.296, 213.826, -37.139)  (-21.219, 213.888, -37.137)  ( 0.36,  0.03,  0.01)
178:     angle   (144.375, 118.592, -11.308)  (144.387, 118.608, -11.308)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.299,  -3.704, -22.297)  (  0.299,  -3.704, -22.295)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.931,  -0.274,   0.221)  ( -0.931,  -0.274,   0.221)  ( 0.00,  0.00,  0.00)
178:     electro (  0.801,  -3.032,  -0.829)  (  0.801,  -3.032,  -0.829)  ( 0.00,  0.00,  0.00)
178:  8       (-173.670, 141.930,   1.489)  (-173.590, 142.018,   1.491)  ( 0.05,  0.06,  0.11)
178:     bond    ( 35.279, 170.381, -15.404)  ( 35.347, 170.453, -15.405)  ( 0.19,  0.04,  0.00)
178:     angle   (-208.439, -28.829,   7.088)  (-208.427, -28.814,   7.087)  ( 0.01,  0.05,  0.01)
178:     torsion (  0.235,   0.811,   9.763)  (  0.235,   0.811,   9.766)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.182,  -0.171,   0.176)  ( -1.182,  -0.171,   0.176)  ( 0.00,  0.00,  0.00)
178:     electro (  0.437,  -0.262,  -0.133)  (  0.437,  -0.262,  -0.133)  ( 0.00,  0.00,  0.00)
178:  9       (301.704, -104.522,  13.779)  (301.791, -104.438,  13.781)  ( 0.03,  0.08,  0.01)
178:     bond    (124.141, -150.653,   6.072)  (124.216, -150.583,   6.071)  ( 0.06,  0.05,  0.01)
178:     angle   (177.366,  42.267,  -6.026)  (177.378,  42.281,  -6.026)  ( 0.01,  0.03,  0.01)
178:     torsion (  0.582,   1.393,  14.392)  (  0.582,   1.393,  14.396)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -0.014,   1.237,  -0.267)  ( -0.014,   1.237,  -0.267)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.371,   1.234,  -0.393)  ( -0.371,   1.234,  -0.393)  ( 0.00,  0.00,  0.00)
178: 10       ( -9.031, -36.657,  -1.954)  ( -8.947, -36.577,  -1.951)  ( 0.93,  0.22,  0.14)
178:     bond    (-21.325,  13.809,   7.460)  (-21.252,  13.878,   7.459)  ( 0.34,  0.50,  0.01)
178:     angle   ( 13.345, -47.372,  23.451)  ( 13.357, -47.361,  23.452)  ( 0.09,  0.02,  0.00)
178:     torsion ( -0.719,  -3.690, -33.032)  ( -0.719,  -3.690, -33.029)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.333,   0.596,   0.167)  ( -0.333,   0.596,   0.168)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (-336.506, -447.392,  64.729)  (-336.459, -447.339,  64.774)  ( 0.01,  0.01,  0.07)
178:     bond    (-120.022, -230.427,  22.445)  (-119.988, -230.387,  22.481)  ( 0.03,  0.02,  0.16)
178:     angle   (-216.364, -217.710,  35.994)  (-216.351, -217.696,  36.003)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.153,   0.539,   5.921)  (  0.153,   0.539,   5.921)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.273,   0.205,   0.368)  ( -0.273,   0.205,   0.368)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       ( 46.356, -46.809,   0.794)  ( 46.380, -46.798,   0.794)  ( 0.05,  0.02,  0.02)
178:     bond    ( 11.340,   6.435,  -0.602)  ( 11.362,   6.442,  -0.602)  ( 0.19,  0.11,  0.00)
178:     angle   ( 29.821, -51.986,   6.570)  ( 29.823, -51.982,   6.570)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.085,  -0.362,  -5.488)  ( -0.085,  -0.362,  -5.487)  ( 0.00,  0.00,  0.02)
178:     vdw     (  2.804,  -0.728,   0.159)  (  2.804,  -0.728,   0.159)  ( 0.00,  0.00,  0.00)
178:     electro (  2.476,  -0.168,   0.155)  (  2.476,  -0.168,   0.155)  ( 0.00,  0.00,  0.00)
178: 13       (-43.636, -62.095,   8.066)  (-43.618, -62.079,   8.066)  ( 0.04,  0.03,  0.01)
178:     bond    (  6.870,  -6.372,   0.515)  (  6.886,  -6.359,   0.515)  ( 0.23,  0.21,  0.00)
178:     angle   (-50.625, -54.068,   9.337)  (-50.623, -54.064,   9.337)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.046,  -0.212,  -2.002)  ( -0.046,  -0.212,  -2.002)  ( 0.00,  0.00,  0.04)
178:     vdw     (  0.398,  -0.320,  -0.098)  (  0.398,  -0.320,  -0.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.233,  -1.124,   0.314)  ( -0.233,  -1.124,   0.314)  ( 0.00,  0.00,  0.00)
178: 14       (308.284, 404.996, 275.217)  (308.332, 405.047, 275.264)  ( 0.02,  0.01,  0.02)
178:     bond    (107.886, 194.366, 137.411)  (107.920, 194.406, 137.448)  ( 0.03,  0.02,  0.03)
178:     angle   (200.875, 213.264, 133.858)  (200.889, 213.276, 133.868)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.757,  -2.266,   3.729)  ( -0.757,  -2.265,   3.730)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.279,  -0.369,   0.219)  (  0.280,  -0.369,   0.219)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (-44.147,  39.860,  11.226)  (-44.125,  39.868,  11.231)  ( 0.05,  0.02,  0.05)
178:     bond    (-10.739,  -4.993,  -5.106)  (-10.719,  -4.989,  -5.102)  ( 0.19,  0.09,  0.09)
178:     angle   (-28.282,  44.652,  15.753)  (-28.281,  44.655,  15.753)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.151,  -0.525,   0.829)  ( -0.151,  -0.525,   0.830)  ( 0.00,  0.01,  0.05)
178:     vdw     ( -2.532,   0.555,  -0.056)  ( -2.532,   0.555,  -0.056)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.442,   0.172,  -0.193)  ( -2.442,   0.172,  -0.193)  ( 0.00,  0.00,  0.00)
178: 16       ( 38.574,  50.678,  41.047)  ( 38.592,  50.691,  41.050)  ( 0.05,  0.03,  0.01)
178:     bond    ( -7.428,   5.996,   2.147)  ( -7.412,   6.007,   2.149)  ( 0.22,  0.18,  0.06)
178:     angle   ( 46.271,  43.224,  38.774)  ( 46.273,  43.226,  38.776)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.129,   0.355,  -0.548)  (  0.129,   0.355,  -0.548)  ( 0.00,  0.01,  0.03)
178:     vdw     ( -0.555,   0.208,  -0.096)  ( -0.555,   0.208,  -0.096)  ( 0.00,  0.00,  0.00)
178:     electro (  0.157,   0.896,   0.769)  (  0.157,   0.896,   0.769)  ( 0.00,  0.00,  0.00)
178: 17       ( 71.455, 185.399, 120.770)  ( 71.462, 185.421, 120.779)  ( 0.01,  0.01,  0.01)
178:     bond    (-22.457, 185.029, 106.355)  (-22.456, 185.051, 106.363)  ( 0.01,  0.01,  0.01)
178:     angle   ( 88.062,  -0.258,  19.043)  ( 88.067,  -0.258,  19.043)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.626,   1.802,  -3.004)  (  0.626,   1.802,  -3.003)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -0.029,  -0.116,  -2.337)  ( -0.029,  -0.116,  -2.337)  ( 0.00,  0.00,  0.00)
178:     electro (  5.254,  -1.057,   0.713)  (  5.254,  -1.057,   0.713)  ( 0.00,  0.00,  0.00)
178: 18       (-95.247, -212.706,  45.184)  (-95.241, -212.677,  45.186)  ( 0.01,  0.01,  0.01)
178:     bond    (  9.361, -210.545,  37.181)  (  9.362, -210.516,  37.183)  ( 0.01,  0.01,  0.01)
178:     angle   (-100.474,  -5.213,  -4.217)  (-100.469,  -5.213,  -4.217)  ( 0.01,  0.00,  0.00)
178:     torsion ( -0.174,   2.516,  14.287)  ( -0.174,   2.516,  14.287)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.452,  -0.345,  -2.215)  (  1.452,  -0.345,  -2.215)  ( 0.02,  0.00,  0.00)
178:     electro ( -5.413,   0.881,   0.149)  ( -5.413,   0.881,   0.149)  ( 0.00,  0.00,  0.00)
178: 19       (-84.920, -114.935, -67.235)  (-84.906, -114.922, -67.225)  ( 0.02,  0.01,  0.01)
178:     bond    ( 31.603, -31.324, -25.273)  ( 31.614, -31.314, -25.266)  ( 0.03,  0.03,  0.03)
178:     angle   (-117.689, -84.412, -42.640)  (-117.686, -84.410, -42.637)  ( 0.00,  0.00,  0.01)
178:     torsion ( -0.008,   0.089,  -0.120)  ( -0.008,   0.089,  -0.120)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.174,   0.712,   0.799)  (  1.174,   0.712,   0.799)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (-48.107, -72.235, -69.589)  (-48.093, -72.229, -69.574)  ( 0.03,  0.01,  0.02)
178:     bond    (-37.263,  17.611, -41.184)  (-37.252,  17.614, -41.170)  ( 0.03,  0.02,  0.03)
178:     angle   (-10.876, -89.876, -28.612)  (-10.874, -89.872, -28.611)  ( 0.02,  0.00,  0.01)
178:     torsion ( -0.096,  -0.011,   0.083)  ( -0.096,  -0.011,   0.083)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.129,   0.040,   0.124)  (  0.129,   0.040,   0.124)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (-41.116, -95.064, -44.322)  (-41.105, -95.050, -44.310)  ( 0.03,  0.01,  0.03)
178:     bond    (-30.031, -36.047,  31.516)  (-30.023, -36.035,  31.525)  ( 0.03,  0.03,  0.03)
178:     angle   ( -8.296, -60.639, -77.213)  ( -8.293, -60.637, -77.210)  ( 0.03,  0.00,  0.00)
178:     torsion (  0.117,  -0.076,   0.025)  (  0.117,  -0.076,   0.025)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.906,   1.698,   1.350)  ( -2.905,   1.698,   1.350)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( 48.033, 132.616, -33.392)  ( 48.055, 132.620, -33.383)  ( 0.05,  0.00,  0.03)
178:     bond    ( 52.153,   0.195, -26.552)  ( 52.176,   0.195, -26.546)  ( 0.04,  0.01,  0.02)
178:     angle   ( -4.570, 133.610,  -8.002)  ( -4.569, 133.613,  -7.999)  ( 0.02,  0.00,  0.03)
178:     torsion ( -0.007,   0.002,  -0.014)  ( -0.007,   0.002,  -0.014)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.456,  -1.191,   1.177)  (  0.456,  -1.191,   1.177)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( 67.190,  61.826,  20.295)  ( 67.195,  61.834,  20.318)  ( 0.01,  0.01,  0.11)
178:     bond    ( 10.644,  23.335,  49.973)  ( 10.645,  23.340,  49.996)  ( 0.01,  0.02,  0.04)
178:     angle   ( 56.121,  38.461, -29.908)  ( 56.125,  38.464, -29.907)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.016,   0.008,  -0.000)  ( -0.016,   0.008,  -0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.441,   0.023,   0.229)  (  0.442,   0.023,   0.229)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       ( 96.003,  97.427, -55.295)  ( 96.013,  97.441, -55.284)  ( 0.01,  0.02,  0.02)
178:     bond    (-24.478,  34.857, -28.158)  (-24.471,  34.870, -28.149)  ( 0.03,  0.04,  0.03)
178:     angle   (121.516,  63.126, -27.444)  (121.519,  63.128, -27.442)  ( 0.00,  0.00,  0.01)
178:     torsion ( -0.027,   0.017,   0.045)  ( -0.027,   0.017,   0.045)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.008,  -0.574,   0.262)  ( -1.008,  -0.574,   0.262)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 16 # gradients 
178: ok 17 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (763.591, 211.175, -129.938)  (763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (760.485, 208.396, -131.774)  (760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
178:     angle   ( -0.453,   0.202,  -0.114)  ( -0.445,   0.212,  -0.107)  ( 0.38,  0.20,  0.07)
178:     torsion ( -0.043,   0.042,   0.071)  ( -0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.603,   2.535,   1.878)  (  3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       ( -0.090, 681.819, -423.091)  ( -0.000, 681.921, -423.070)  ( 0.82,  0.01,  0.01)
178:     bond    ( -0.078, 677.006, -423.243)  (  0.000, 677.098, -423.228)  ( 0.61,  0.01,  0.00)
178:     angle   ( -0.011,   0.072,  -0.295)  ( -0.000,   0.082,  -0.291)  ( 0.01,  0.07,  0.12)
178:     torsion ( -0.001,  -0.016,  -0.052)  ( -0.000,  -0.015,  -0.050)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.000,   4.757,   0.499)  (  0.000,   4.757,   0.499)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( -0.090, -682.022, -423.091)  ( -0.000, -681.921, -423.070)  ( 0.82,  0.01,  0.01)
178:     bond    ( -0.078, -677.189, -423.243)  (  0.000, -677.098, -423.228)  ( 0.61,  0.01,  0.00)
178:     angle   ( -0.011,  -0.091,  -0.295)  ( -0.000,  -0.082,  -0.291)  ( 0.01,  0.09,  0.12)
178:     torsion ( -0.001,   0.015,  -0.052)  (  0.000,   0.015,  -0.050)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.000,  -4.757,   0.499)  ( -0.000,  -4.757,   0.499)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (763.591, -211.337, -129.938)  (763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (760.485, -208.536, -131.774)  (760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
178:     angle   ( -0.453,  -0.222,  -0.114)  ( -0.445,  -0.212,  -0.107)  ( 0.38,  0.22,  0.07)
178:     torsion ( -0.043,  -0.044,   0.071)  ( -0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.603,  -2.535,   1.878)  (  3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-341.903, 475.989, -552.554)  (-341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (-337.801, 473.237, -551.537)  (-337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
178:     angle   ( -0.043,   0.489,   0.094)  ( -0.035,   0.499,   0.101)  ( 0.03,  0.50,  0.06)
178:     torsion (  0.040,   0.033,  -0.048)  (  0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.099,   2.230,  -1.064)  ( -4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-341.903, -476.173, -552.554)  (-341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (-337.801, -473.399, -551.537)  (-337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
178:     angle   ( -0.043,  -0.509,   0.094)  ( -0.035,  -0.499,   0.101)  ( 0.03,  0.52,  0.06)
178:     torsion (  0.040,  -0.034,  -0.048)  (  0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.099,  -2.230,  -1.064)  ( -4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-763.780, 211.175, -129.938)  (-763.686, 211.256, -129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (-760.656, 208.396, -131.774)  (-760.571, 208.466, -131.744)  ( 0.01,  0.03,  0.02)
178:     angle   (  0.436,   0.202,  -0.114)  (  0.445,   0.212,  -0.107)  ( 0.37,  0.20,  0.07)
178:     torsion (  0.042,   0.042,   0.071)  (  0.042,   0.043,   0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.603,   2.535,   1.878)  ( -3.603,   2.535,   1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-763.780, -211.337, -129.938)  (-763.686, -211.256, -129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (-760.656, -208.536, -131.774)  (-760.571, -208.466, -131.744)  ( 0.01,  0.03,  0.02)
178:     angle   (  0.436,  -0.222,  -0.114)  (  0.445,  -0.212,  -0.107)  ( 0.37,  0.22,  0.07)
178:     torsion (  0.042,  -0.044,   0.071)  (  0.042,  -0.043,   0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.603,  -2.535,   1.878)  ( -3.603,  -2.535,   1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (475.989, 552.444, 341.770)  (476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (473.237, 551.443, 337.686)  (473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
178:     angle   (  0.489,  -0.107,   0.027)  (  0.499,  -0.101,   0.035)  ( 0.50,  0.07,  0.02)
178:     torsion (  0.033,   0.045,  -0.041)  (  0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.230,   1.064,   4.099)  (  2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (129.863, 763.591, 211.175)  (129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (131.714, 760.485, 208.396)  (131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
178:     angle   (  0.101,  -0.453,   0.202)  (  0.107,  -0.445,   0.212)  ( 0.06,  0.38,  0.20)
178:     torsion ( -0.074,  -0.043,   0.042)  ( -0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.879,   3.603,   2.535)  ( -1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (129.863, -763.780, 211.175)  (129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (131.714, -760.656, 208.396)  (131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
178:     angle   (  0.101,   0.436,   0.202)  (  0.107,   0.445,   0.212)  ( 0.06,  0.37,  0.20)
178:     torsion ( -0.074,   0.042,   0.042)  ( -0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.879,  -3.603,   2.535)  ( -1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (475.989, -552.554, 341.770)  (476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
180:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
180:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
180:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
180:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
180:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
180:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
180:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
180:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
180:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
180:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
180:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
180:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
180:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
180:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
180:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
180:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
180:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
180:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
180:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
180:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
180:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
180:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
180:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
180:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
180:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
180: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
180:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
180:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
180:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
180: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
180:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
180:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
180:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
180:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
180:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
180:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
180:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
180: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
180:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
180:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
180:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
180:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
180:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
180:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
180: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
180:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
180:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
180:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
180:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
180:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
180:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
180: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
180:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
180:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
180:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
180:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
180:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
180:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
180: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
180:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
180:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
180:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
180:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
180:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
180:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
180: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
180:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
180:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
180:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
180:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
180: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
180:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
180:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
180:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     bond    (473.237, -551.537, 337.686)  (473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
178:     angle   (  0.489,   0.094,   0.027)  (  0.499,   0.101,   0.035)  ( 0.50,  0.06,  0.02)
178:     torsion (  0.033,  -0.048,  -0.041)  (  0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.230,  -1.064,   4.099)  (  2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (552.444, -341.903, -476.173)  (552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (551.443, -337.801, -473.399)  (551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
178:     angle   ( -0.107,  -0.043,  -0.509)  ( -0.101,  -0.035,  -0.499)  ( 0.07,  0.03,  0.52)
178:     torsion (  0.045,   0.040,  -0.034)  (  0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.064,  -4.099,  -2.230)  (  1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (-211.337, 129.863, -763.780)  (-211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (-208.536, 131.714, -760.656)  (-208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
178:     angle   ( -0.222,   0.101,   0.436)  ( -0.212,   0.107,   0.445)  ( 0.22,  0.06,  0.37)
178:     torsion ( -0.044,  -0.074,   0.042)  ( -0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.535,  -1.879,  -3.603)  ( -2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (552.444, -341.903, 475.989)  (552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (551.443, -337.801, 473.237)  (551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
178:     angle   ( -0.107,  -0.043,   0.489)  ( -0.101,  -0.035,   0.499)  ( 0.07,  0.03,  0.50)
178:     torsion (  0.045,   0.040,   0.033)  (  0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.064,  -4.099,   2.230)  (  1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (-682.022, 423.048,  -0.090)  (-681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
178:     bond    (-677.189, 423.212,  -0.078)  (-677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
178:     angle   ( -0.091,   0.287,  -0.011)  ( -0.082,   0.291,   0.000)  ( 0.09,  0.11,  0.01)
178:     torsion (  0.015,   0.048,  -0.001)  (  0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -4.757,  -0.499,  -0.000)  ( -4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       (341.770, -476.173, -552.554)  (341.837, -476.081, -552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (337.686, -473.399, -551.537)  (337.743, -473.318, -551.490)  ( 0.02,  0.02,  0.01)
178:     angle   (  0.027,  -0.509,   0.094)  (  0.035,  -0.499,   0.101)  ( 0.02,  0.52,  0.06)
178:     torsion ( -0.041,  -0.034,  -0.048)  ( -0.041,  -0.034,  -0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.099,  -2.230,  -1.064)  (  4.099,  -2.230,  -1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (-476.173, 552.444, 341.770)  (-476.081, 552.499, 341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (-473.399, 551.443, 337.686)  (-473.318, 551.490, 337.743)  ( 0.02,  0.01,  0.02)
178:     angle   ( -0.509,  -0.107,   0.027)  ( -0.499,  -0.101,   0.035)  ( 0.52,  0.07,  0.02)
178:     torsion ( -0.034,   0.045,  -0.041)  ( -0.034,   0.046,  -0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.230,   1.064,   4.099)  ( -2.230,   1.064,   4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       (-211.337, 129.863, 763.591)  (-211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (-208.536, 131.714, 760.485)  (-208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
178:     angle   ( -0.222,   0.101,  -0.453)  ( -0.212,   0.107,  -0.445)  ( 0.22,  0.06,  0.38)
181:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
181:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
181:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
181:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
181:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
181:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
181: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
181:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
181:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
181:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
181:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
181: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
181:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
181:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
181:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
181:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
181: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
181:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
181:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
181:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
181:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
181: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
181:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
181:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
181:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
181:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
181:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
181: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
181:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
181:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
181:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
181:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
180:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
180:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
180: ok 2 # gradients 
180: ok 3 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : fadvub.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
181:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
181: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
181:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
181:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
181:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
181:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
181:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
181: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
181:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
181:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
181:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
181: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
181:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
181:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
181:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
181:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
181:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
181: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
181:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
181:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
181:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
181:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
181:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
181: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
181:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
181:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
181:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
181:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
181: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
181:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
178:     torsion ( -0.044,  -0.074,  -0.043)  ( -0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.535,  -1.879,   3.603)  ( -2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (211.175, 129.863, -763.780)  (211.256, 129.900, -763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (208.396, 131.714, -760.656)  (208.466, 131.744, -760.571)  ( 0.03,  0.02,  0.01)
178:     angle   (  0.202,   0.101,   0.436)  (  0.212,   0.107,   0.445)  ( 0.20,  0.06,  0.37)
178:     torsion (  0.042,  -0.074,   0.042)  (  0.043,  -0.072,   0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.535,  -1.879,  -3.603)  (  2.535,  -1.878,  -3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (341.770, 475.989, -552.554)  (341.837, 476.081, -552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (337.686, 473.237, -551.537)  (337.743, 473.318, -551.490)  ( 0.02,  0.02,  0.01)
178:     angle   (  0.027,   0.489,   0.094)  (  0.035,   0.499,   0.101)  ( 0.02,  0.50,  0.06)
178:     torsion ( -0.041,   0.033,  -0.048)  ( -0.041,   0.034,  -0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.099,   2.230,  -1.064)  (  4.099,   2.230,  -1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (423.048,  -0.090, 681.819)  (423.070,  -0.000, 681.921)  ( 0.01,  0.82,  0.01)
178:     bond    (423.212,  -0.078, 677.006)  (423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
178:     angle   (  0.287,  -0.011,   0.072)  (  0.291,  -0.000,   0.082)  ( 0.11,  0.01,  0.07)
178:     torsion (  0.048,  -0.001,  -0.016)  (  0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.499,  -0.000,   4.757)  ( -0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       (552.444, 341.770, -476.173)  (552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (551.443, 337.686, -473.399)  (551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
178:     angle   ( -0.107,   0.027,  -0.509)  ( -0.101,   0.035,  -0.499)  ( 0.07,  0.02,  0.52)
178:     torsion (  0.045,  -0.041,  -0.034)  (  0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.064,   4.099,  -2.230)  (  1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-129.938, -763.780, 211.175)  (-129.900, -763.686, 211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (-131.774, -760.656, 208.396)  (-131.744, -760.571, 208.466)  ( 0.02,  0.01,  0.03)
178:     angle   ( -0.114,   0.436,   0.202)  ( -0.107,   0.445,   0.212)  ( 0.07,  0.37,  0.20)
178:     torsion (  0.071,   0.042,   0.042)  (  0.072,   0.042,   0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.878,  -3.603,   2.535)  (  1.878,  -3.603,   2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (-211.337, -129.938, -763.780)  (-211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (-208.536, -131.774, -760.656)  (-208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
178:     angle   ( -0.222,  -0.114,   0.436)  ( -0.212,  -0.107,   0.445)  ( 0.22,  0.07,  0.37)
178:     torsion ( -0.044,   0.071,   0.042)  ( -0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.535,   1.878,  -3.603)  ( -2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (-476.173, -552.554, 341.770)  (-476.081, -552.499, 341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (-473.399, -551.537, 337.686)  (-473.318, -551.490, 337.743)  ( 0.02,  0.01,  0.02)
178:     angle   ( -0.509,   0.094,   0.027)  ( -0.499,   0.101,   0.035)  ( 0.52,  0.06,  0.02)
178:     torsion ( -0.034,  -0.048,  -0.041)  ( -0.034,  -0.046,  -0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.230,  -1.064,   4.099)  ( -2.230,  -1.064,   4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (552.444, 341.770, 475.989)  (552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (551.443, 337.686, 473.237)  (551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
178:     angle   ( -0.107,   0.027,   0.489)  ( -0.101,   0.035,   0.499)  ( 0.07,  0.02,  0.50)
178:     torsion (  0.045,  -0.041,   0.033)  (  0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.064,   4.099,   2.230)  (  1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (-682.022, -423.091,  -0.090)  (-681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
178:     bond    (-677.189, -423.243,  -0.078)  (-677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
178:     angle   ( -0.091,  -0.295,  -0.011)  ( -0.082,  -0.291,   0.000)  ( 0.09,  0.12,  0.01)
178:     torsion (  0.015,  -0.052,  -0.001)  (  0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -4.757,   0.499,  -0.000)  ( -4.757,   0.499,  -0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       (211.175, -129.938, -763.780)  (211.256, -129.900, -763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (208.396, -131.774, -760.656)  (208.466, -131.744, -760.571)  ( 0.03,  0.02,  0.01)
178:     angle   (  0.202,  -0.114,   0.436)  (  0.212,  -0.107,   0.445)  ( 0.20,  0.07,  0.37)
178:     torsion (  0.042,   0.071,   0.042)  (  0.043,   0.072,   0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.535,   1.878,  -3.603)  (  2.535,   1.878,  -3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (681.819, 423.048,  -0.090)  (681.921, 423.070,   0.000)  ( 0.01,  0.01,  0.82)
178:     bond    (677.006, 423.212,  -0.078)  (677.098, 423.228,   0.000)  ( 0.01,  0.00,  0.61)
178:     angle   (  0.072,   0.287,  -0.011)  (  0.082,   0.291,   0.000)  ( 0.07,  0.11,  0.01)
178:     torsion ( -0.016,   0.048,  -0.001)  ( -0.015,   0.050,   0.000)  ( 0.00,  0.01,  0.00)
178:     vdw     (  4.757,  -0.499,  -0.000)  (  4.757,  -0.499,  -0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (423.048,  -0.090, -682.022)  (423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
178:     bond    (423.212,  -0.078, -677.189)  (423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
178:     angle   (  0.287,  -0.011,  -0.091)  (  0.291,   0.000,  -0.082)  ( 0.11,  0.01,  0.09)
178:     torsion (  0.048,  -0.001,   0.015)  (  0.050,  -0.000,   0.015)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.499,  -0.000,  -4.757)  ( -0.499,  -0.000,  -4.757)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       (-129.938, 763.591, 211.175)  (-129.900, 763.686, 211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (-131.774, 760.485, 208.396)  (-131.744, 760.571, 208.466)  ( 0.02,  0.01,  0.03)
178:     angle   ( -0.114,  -0.453,   0.202)  ( -0.107,  -0.445,   0.212)  ( 0.07,  0.38,  0.20)
178:     torsion (  0.071,  -0.043,   0.042)  (  0.072,  -0.042,   0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.878,   3.603,   2.535)  (  1.878,   3.603,   2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       (-211.337, -129.938, 763.591)  (-211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (-208.536, -131.774, 760.485)  (-208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
178:     angle   ( -0.222,  -0.114,  -0.453)  ( -0.212,  -0.107,  -0.445)  ( 0.22,  0.07,  0.38)
178:     torsion ( -0.044,   0.071,  -0.043)  ( -0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.535,   1.878,   3.603)  ( -2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       (681.819, -423.091,  -0.090)  (681.921, -423.070,   0.000)  ( 0.01,  0.01,  0.82)
178:     bond    (677.006, -423.243,  -0.078)  (677.098, -423.228,   0.000)  ( 0.01,  0.00,  0.61)
178:     angle   (  0.072,  -0.295,  -0.011)  (  0.082,  -0.291,   0.000)  ( 0.07,  0.12,  0.01)
178:     torsion ( -0.016,  -0.052,  -0.001)  ( -0.015,  -0.050,   0.000)  ( 0.00,  0.01,  0.00)
178:     vdw     (  4.757,   0.499,  -0.000)  (  4.757,   0.499,   0.000)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       (-552.554, 341.770, -476.173)  (-552.499, 341.837, -476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (-551.537, 337.686, -473.399)  (-551.490, 337.743, -473.318)  ( 0.01,  0.02,  0.02)
178:     angle   (  0.094,   0.027,  -0.509)  (  0.101,   0.035,  -0.499)  ( 0.06,  0.02,  0.52)
178:     torsion ( -0.048,  -0.041,  -0.034)  ( -0.046,  -0.041,  -0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.064,   4.099,  -2.230)  ( -1.064,   4.099,  -2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 36       (-552.554, 341.770, 475.989)  (-552.499, 341.837, 476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (-551.537, 337.686, 473.237)  (-551.490, 337.743, 473.318)  ( 0.01,  0.02,  0.02)
178:     angle   (  0.094,   0.027,   0.489)  (  0.101,   0.035,   0.499)  ( 0.06,  0.02,  0.50)
178:     torsion ( -0.048,  -0.041,   0.033)  ( -0.046,  -0.041,   0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.064,   4.099,   2.230)  ( -1.064,   4.099,   2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 37       (-423.091,  -0.090, 681.819)  (-423.070,   0.000, 681.921)  ( 0.01,  0.82,  0.01)
178:     bond    (-423.243,  -0.078, 677.006)  (-423.228,   0.000, 677.098)  ( 0.00,  0.61,  0.01)
178:     angle   ( -0.295,  -0.011,   0.072)  ( -0.291,   0.000,   0.082)  ( 0.12,  0.01,  0.07)
178:     torsion ( -0.052,  -0.001,  -0.016)  ( -0.050,   0.000,  -0.015)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.499,  -0.000,   4.757)  (  0.499,   0.000,   4.757)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 38       (-552.554, -341.903, -476.173)  (-552.499, -341.837, -476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (-551.537, -337.801, -473.399)  (-551.490, -337.743, -473.318)  ( 0.01,  0.02,  0.02)
178:     angle   (  0.094,  -0.043,  -0.509)  (  0.101,  -0.035,  -0.499)  ( 0.06,  0.03,  0.52)
178:     torsion ( -0.048,   0.040,  -0.034)  ( -0.046,   0.041,  -0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.064,  -4.099,  -2.230)  ( -1.064,  -4.099,  -2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 39       (-552.554, -341.903, 475.989)  (-552.499, -341.837, 476.081)  ( 0.01,  0.02,  0.02)
178:     bond    (-551.537, -337.801, 473.237)  (-551.490, -337.743, 473.318)  ( 0.01,  0.02,  0.02)
178:     angle   (  0.094,  -0.043,   0.489)  (  0.101,  -0.035,   0.499)  ( 0.06,  0.03,  0.50)
178:     torsion ( -0.048,   0.040,   0.033)  ( -0.046,   0.041,   0.034)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.064,  -4.099,   2.230)  ( -1.064,  -4.099,   2.230)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 40       (211.175, -129.938, 763.591)  (211.256, -129.900, 763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (208.396, -131.774, 760.485)  (208.466, -131.744, 760.571)  ( 0.03,  0.02,  0.01)
178:     angle   (  0.202,  -0.114,  -0.453)  (  0.212,  -0.107,  -0.445)  ( 0.20,  0.07,  0.38)
178:     torsion (  0.042,   0.071,  -0.043)  (  0.043,   0.072,  -0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.535,   1.878,   3.603)  (  2.535,   1.878,   3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 41       (-476.173, -552.554, -341.903)  (-476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (-473.399, -551.537, -337.801)  (-473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
178:     angle   ( -0.509,   0.094,  -0.043)  ( -0.499,   0.101,  -0.035)  ( 0.52,  0.06,  0.03)
178:     torsion ( -0.034,  -0.048,   0.040)  ( -0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
180:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
180:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
180:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
180:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
180:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
180:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
180:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
180:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
180:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
180:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
180:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
180:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
180:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
180:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
180:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
180:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
180:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
180:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
180:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
180:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
180:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
180:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
180:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
180:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
180:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
180:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
180:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
180:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
180:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
180:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
180:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
180:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
180:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.230,  -1.064,  -4.099)  ( -2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 42       (-763.780, 211.175, 129.863)  (-763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (-760.656, 208.396, 131.714)  (-760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
178:     angle   (  0.436,   0.202,   0.101)  (  0.445,   0.212,   0.107)  ( 0.37,  0.20,  0.06)
178:     torsion (  0.042,   0.042,  -0.074)  (  0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.603,   2.535,  -1.879)  ( -3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 43       (475.989, -552.554, -341.903)  (476.081, -552.499, -341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (473.237, -551.537, -337.801)  (473.318, -551.490, -337.743)  ( 0.02,  0.01,  0.02)
178:     angle   (  0.489,   0.094,  -0.043)  (  0.499,   0.101,  -0.035)  ( 0.50,  0.06,  0.03)
178:     torsion (  0.033,  -0.048,   0.040)  (  0.034,  -0.046,   0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.230,  -1.064,  -4.099)  (  2.230,  -1.064,  -4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 44       (129.863, 763.591, -211.337)  (129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (131.714, 760.485, -208.536)  (131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
178:     angle   (  0.101,  -0.453,  -0.222)  (  0.107,  -0.445,  -0.212)  ( 0.06,  0.38,  0.22)
178:     torsion ( -0.074,  -0.043,  -0.044)  ( -0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.879,   3.603,  -2.535)  ( -1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 45       (-129.938, 763.591, -211.337)  (-129.900, 763.686, -211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (-131.774, 760.485, -208.536)  (-131.744, 760.571, -208.466)  ( 0.02,  0.01,  0.03)
178:     angle   ( -0.114,  -0.453,  -0.222)  ( -0.107,  -0.445,  -0.212)  ( 0.07,  0.38,  0.22)
178:     torsion (  0.071,  -0.043,  -0.044)  (  0.072,  -0.042,  -0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.878,   3.603,  -2.535)  (  1.878,   3.603,  -2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 46       (129.863, -763.780, -211.337)  (129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (131.714, -760.656, -208.536)  (131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
178:     angle   (  0.101,   0.436,  -0.222)  (  0.107,   0.445,  -0.212)  ( 0.06,  0.37,  0.22)
178:     torsion ( -0.074,   0.042,  -0.044)  ( -0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.879,  -3.603,  -2.535)  ( -1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 47       (-341.903, -476.173, 552.444)  (-341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (-337.801, -473.399, 551.443)  (-337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
178:     angle   ( -0.043,  -0.509,  -0.107)  ( -0.035,  -0.499,  -0.101)  ( 0.03,  0.52,  0.07)
178:     torsion (  0.040,  -0.034,   0.045)  (  0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.099,  -2.230,   1.064)  ( -4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 48       (-423.091,  -0.090, -682.022)  (-423.070,  -0.000, -681.921)  ( 0.01,  0.82,  0.01)
178:     bond    (-423.243,  -0.078, -677.189)  (-423.228,   0.000, -677.098)  ( 0.00,  0.61,  0.01)
178:     angle   ( -0.295,  -0.011,  -0.091)  ( -0.291,   0.000,  -0.082)  ( 0.12,  0.01,  0.09)
178:     torsion ( -0.052,  -0.001,   0.015)  ( -0.050,  -0.000,   0.015)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.499,  -0.000,  -4.757)  (  0.499,   0.000,  -4.757)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
179: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
179: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
179: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
179: ok 2 # gradients 
179: ok 3 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
179:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
179:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
179:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
179:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
179:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
179:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
179:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
179:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
179:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
179:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
179:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
179:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
179:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
179:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
179:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
179:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
179:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
179:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
179:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
179:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
179:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
179:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
179: ok 4 # gradients 
179: ok 5 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
178: 49       (211.175, 129.863, 763.591)  (211.256, 129.900, 763.686)  ( 0.04,  0.03,  0.01)
178:     bond    (208.396, 131.714, 760.485)  (208.466, 131.744, 760.571)  ( 0.03,  0.02,  0.01)
178:     angle   (  0.202,   0.101,  -0.453)  (  0.212,   0.107,  -0.445)  ( 0.20,  0.06,  0.38)
178:     torsion (  0.042,  -0.074,  -0.043)  (  0.043,  -0.072,  -0.042)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.535,  -1.879,   3.603)  (  2.535,  -1.878,   3.603)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 50       (-476.173, 552.444, -341.903)  (-476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (-473.399, 551.443, -337.801)  (-473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
178:     angle   ( -0.509,  -0.107,  -0.043)  ( -0.499,  -0.101,  -0.035)  ( 0.52,  0.07,  0.03)
178:     torsion ( -0.034,   0.045,   0.040)  ( -0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.230,   1.064,  -4.099)  ( -2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 51       (-129.938, -763.780, -211.337)  (-129.900, -763.686, -211.256)  ( 0.03,  0.01,  0.04)
178:     bond    (-131.774, -760.656, -208.536)  (-131.744, -760.571, -208.466)  ( 0.02,  0.01,  0.03)
178:     angle   ( -0.114,   0.436,  -0.222)  ( -0.107,   0.445,  -0.212)  ( 0.07,  0.37,  0.22)
178:     torsion (  0.071,   0.042,  -0.044)  (  0.072,   0.042,  -0.043)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.878,  -3.603,  -2.535)  (  1.878,  -3.603,  -2.535)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 52       (341.770, -476.173, 552.444)  (341.837, -476.081, 552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (337.686, -473.399, 551.443)  (337.743, -473.318, 551.490)  ( 0.02,  0.02,  0.01)
178:     angle   (  0.027,  -0.509,  -0.107)  (  0.035,  -0.499,  -0.101)  ( 0.02,  0.52,  0.07)
178:     torsion ( -0.041,  -0.034,   0.045)  ( -0.041,  -0.034,   0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.099,  -2.230,   1.064)  (  4.099,  -2.230,   1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 53       (763.591, 211.175, 129.863)  (763.686, 211.256, 129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (760.485, 208.396, 131.714)  (760.571, 208.466, 131.744)  ( 0.01,  0.03,  0.02)
178:     angle   ( -0.453,   0.202,   0.101)  ( -0.445,   0.212,   0.107)  ( 0.38,  0.20,  0.06)
178:     torsion ( -0.043,   0.042,  -0.074)  ( -0.042,   0.043,  -0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.603,   2.535,  -1.879)  (  3.603,   2.535,  -1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 54       ( -0.090, 681.819, 423.048)  (  0.000, 681.921, 423.070)  ( 0.82,  0.01,  0.01)
178:     bond    ( -0.078, 677.006, 423.212)  (  0.000, 677.098, 423.228)  ( 0.61,  0.01,  0.00)
178:     angle   ( -0.011,   0.072,   0.287)  (  0.000,   0.082,   0.291)  ( 0.01,  0.07,  0.11)
178:     torsion ( -0.001,  -0.016,   0.048)  (  0.000,  -0.015,   0.050)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.000,   4.757,  -0.499)  ( -0.000,   4.757,  -0.499)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 55       (341.770, 475.989, 552.444)  (341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (337.686, 473.237, 551.443)  (337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
178:     angle   (  0.027,   0.489,  -0.107)  (  0.035,   0.499,  -0.101)  ( 0.02,  0.50,  0.07)
178:     torsion ( -0.041,   0.033,   0.045)  ( -0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.099,   2.230,   1.064)  (  4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 56       (-341.903, 475.989, 552.444)  (-341.837, 476.081, 552.499)  ( 0.02,  0.02,  0.01)
178:     bond    (-337.801, 473.237, 551.443)  (-337.743, 473.318, 551.490)  ( 0.02,  0.02,  0.01)
179:  1       ( -0.124,   0.344,  -0.637)  ( -0.119,   0.347,  -0.633)  ( 0.06,  0.09,  0.26)
179:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
179:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
179:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
179:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
179:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
179:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
179:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
179:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
179:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.084,  -0.011,   0.022)  ( -0.082,  -0.014,   0.025)  ( 0.02,  0.00,  0.01)
179:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
179:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
179:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
179:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
179:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
179:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
179:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
179:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
179:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
179:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (  0.018,   0.028,  -0.035)  (  0.020,   0.006,  -0.045)  ( 0.00,  0.06,  0.03)
179:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
179:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
179:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
179:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
179:  6       (  0.021,   0.003,  -0.007)  (  0.026,  -0.014,  -0.016)  ( 0.01,  0.01,  0.01)
179:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
179:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
178:     angle   ( -0.043,   0.489,  -0.107)  ( -0.035,   0.499,  -0.101)  ( 0.03,  0.50,  0.07)
178:     torsion (  0.040,   0.033,   0.045)  (  0.041,   0.034,   0.046)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.099,   2.230,   1.064)  ( -4.099,   2.230,   1.064)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 57       (475.989, 552.444, -341.903)  (476.081, 552.499, -341.837)  ( 0.02,  0.01,  0.02)
178:     bond    (473.237, 551.443, -337.801)  (473.318, 551.490, -337.743)  ( 0.02,  0.01,  0.02)
178:     angle   (  0.489,  -0.107,  -0.043)  (  0.499,  -0.101,  -0.035)  ( 0.50,  0.07,  0.03)
178:     torsion (  0.033,   0.045,   0.040)  (  0.034,   0.046,   0.041)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.230,   1.064,  -4.099)  (  2.230,   1.064,  -4.099)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 58       (-763.780, -211.337, 129.863)  (-763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (-760.656, -208.536, 131.714)  (-760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
178:     angle   (  0.436,  -0.222,   0.101)  (  0.445,  -0.212,   0.107)  ( 0.37,  0.22,  0.06)
178:     torsion (  0.042,  -0.044,  -0.074)  (  0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.603,  -2.535,  -1.879)  ( -3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 59       (763.591, -211.337, 129.863)  (763.686, -211.256, 129.900)  ( 0.01,  0.04,  0.03)
178:     bond    (760.485, -208.536, 131.714)  (760.571, -208.466, 131.744)  ( 0.01,  0.03,  0.02)
178:     angle   ( -0.453,  -0.222,   0.101)  ( -0.445,  -0.212,   0.107)  ( 0.38,  0.22,  0.06)
178:     torsion ( -0.043,  -0.044,  -0.074)  ( -0.042,  -0.043,  -0.072)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.603,  -2.535,  -1.879)  (  3.603,  -2.535,  -1.878)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 60       ( -0.090, -682.022, 423.048)  (  0.000, -681.921, 423.070)  ( 0.82,  0.01,  0.01)
178:     bond    ( -0.078, -677.189, 423.212)  (  0.000, -677.098, 423.228)  ( 0.61,  0.01,  0.00)
178:     angle   ( -0.011,  -0.091,   0.287)  (  0.000,  -0.082,   0.291)  ( 0.01,  0.09,  0.11)
178:     torsion ( -0.001,   0.015,   0.048)  (  0.000,   0.015,   0.050)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.000,  -4.757,  -0.499)  (  0.000,  -4.757,  -0.499)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 18 # gradients 
178: ok 19 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-26.365,  -6.735,  -0.035)  (-26.271,  -6.630,  -0.032)  ( 0.36,  1.56,  0.01)
178:     bond    (-51.407, -21.524,  -0.453)  (-51.328, -21.431,  -0.453)  ( 0.15,  0.43,  0.00)
178:     angle   ( 28.516,  23.010,   2.629)  ( 28.532,  23.022,   2.628)  ( 0.05,  0.05,  0.02)
178:     torsion (  0.028,   0.027,  -2.311)  (  0.028,   0.027,  -2.306)  ( 0.00,  0.00,  0.18)
178:     vdw     ( -3.503,  -8.248,   0.099)  ( -3.503,  -8.248,   0.099)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       ( 42.577,  18.173,   0.053)  ( 42.671,  18.274,   0.057)  ( 0.22,  0.56,  0.02)
178:     bond    ( 79.259, -24.256,  -0.982)  ( 79.338, -24.166,  -0.981)  ( 0.10,  0.37,  0.03)
178:     angle   (-31.061,  47.195,   3.394)  (-31.046,  47.207,   3.394)  ( 0.05,  0.02,  0.01)
178:     torsion ( -0.034,   0.018,  -1.739)  ( -0.034,   0.018,  -1.736)  ( 0.00,  0.00,  0.20)
178:     vdw     ( -5.588,  -4.785,  -0.620)  ( -5.587,  -4.784,  -0.620)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (1481.239, -10.907, -17.547)  (1481.306, -10.812, -17.538)  ( 0.00,  0.88,  0.05)
178:     bond    (1482.386,  49.293, -17.062)  (1482.436,  49.379, -17.056)  ( 0.00,  0.17,  0.03)
178:     angle   ( -3.766, -60.057,  -0.119)  ( -3.750, -60.047,  -0.117)  ( 0.43,  0.02,  0.02)
178:     torsion (  0.015,  -0.012,  -0.359)  (  0.015,  -0.012,  -0.357)  ( 0.00,  0.00,  0.09)
178:     vdw     (  2.605,  -0.132,  -0.008)  (  2.605,  -0.132,  -0.008)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (218.197, 351.442,  -5.584)  (218.285, 351.514,  -5.579)  ( 0.04,  0.02,  0.09)
178:     bond    (156.798, 315.167,  -4.502)  (156.875, 315.223,  -4.500)  ( 0.05,  0.02,  0.06)
178:     angle   ( 55.844,  32.080,  -0.601)  ( 55.856,  32.094,  -0.601)  ( 0.02,  0.05,  0.00)
178:     torsion ( -0.002,  -0.005,   0.943)  ( -0.002,  -0.005,   0.946)  ( 0.00,  0.00,  0.24)
178:     vdw     (  5.556,   4.201,  -1.424)  (  5.556,   4.201,  -1.424)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-203.363, -391.514,  -1.242)  (-203.352, -391.496,  -1.239)  ( 0.01,  0.00,  0.19)
178:     bond    (-224.009, -386.559,   5.182)  (-224.002, -386.542,   5.184)  ( 0.00,  0.00,  0.04)
178:     angle   ( -4.111,   2.380,   0.062)  ( -4.107,   2.381,   0.062)  ( 0.08,  0.05,  0.00)
178:     torsion (  0.004,   0.005,   0.542)  (  0.004,   0.005,   0.542)  ( 0.00,  0.00,  0.03)
178:     vdw     ( 24.753,  -7.340,  -7.027)  ( 24.754,  -7.340,  -7.027)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-745.376, 1325.888, -16.743)  (-745.286, 1325.961, -16.734)  ( 0.01,  0.01,  0.06)
178:     bond    (-680.841, 1288.888, -17.462)  (-680.761, 1288.945, -17.456)  ( 0.01,  0.00,  0.03)
178:     angle   (-62.286,  33.325,   2.422)  (-62.276,  33.341,   2.424)  ( 0.02,  0.05,  0.06)
178:     torsion ( -0.001,  -0.005,  -1.701)  ( -0.001,  -0.005,  -1.699)  ( 0.00,  0.00,  0.14)
178:     vdw     ( -2.248,   3.679,  -0.003)  ( -2.248,   3.679,  -0.003)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-379.576,  -9.468,  -4.080)  (-379.510,  -9.372,  -4.075)  ( 0.02,  1.02,  0.12)
178:     bond    (-388.385,  67.010,  -2.879)  (-388.333,  67.095,  -2.877)  ( 0.01,  0.13,  0.08)
178:     angle   (  9.372, -71.185,  -1.456)  (  9.385, -71.173,  -1.456)  ( 0.14,  0.02,  0.03)
178:     torsion ( -0.012,  -0.012,   1.120)  ( -0.012,  -0.012,   1.123)  ( 0.00,  0.00,  0.27)
178:     vdw     ( -0.551,  -5.281,  -0.866)  ( -0.550,  -5.281,  -0.866)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (437.367, -12.590,   0.525)  (437.388, -12.583,   0.527)  ( 0.00,  0.06,  0.12)
178:     bond    (440.100,  -5.846,   2.920)  (440.121,  -5.844,   2.922)  ( 0.00,  0.03,  0.06)
178:     angle   (  0.050,   3.730,  -0.126)  (  0.050,   3.734,  -0.126)  ( 0.00,  0.12,  0.00)
178:     torsion ( -0.001,   0.001,   0.156)  ( -0.001,   0.001,   0.157)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -2.782, -10.475,  -2.426)  ( -2.782, -10.474,  -2.426)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (-1298.501, -414.353, -25.601)  (-1298.426, -414.267, -25.591)  ( 0.01,  0.02,  0.04)
178:     bond    (-1389.179, -512.381, -26.576)  (-1389.117, -512.307, -26.570)  ( 0.00,  0.01,  0.02)
178:     angle   ( 90.035,  97.583,   1.312)  ( 90.048,  97.595,   1.314)  ( 0.02,  0.01,  0.15)
178:     torsion ( -0.002,   0.019,  -0.340)  ( -0.002,   0.019,  -0.338)  ( 0.00,  0.00,  0.08)
178:     vdw     (  0.645,   0.427,   0.003)  (  0.645,   0.427,   0.003)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (-172.645,  75.624,   0.228)  (-172.591,  75.695,   0.232)  ( 0.03,  0.09,  0.08)
178:     bond    (-98.169,   9.837,   0.225)  (-98.126,   9.903,   0.225)  ( 0.04,  0.68,  0.01)
178:     angle   (-68.504,  69.057,  -0.619)  (-68.494,  69.061,  -0.617)  ( 0.02,  0.01,  0.11)
178:     torsion (  0.018,  -0.014,   1.257)  (  0.018,  -0.014,   1.258)  ( 0.00,  0.00,  0.09)
178:     vdw     ( -5.989,  -3.255,  -0.635)  ( -5.989,  -3.255,  -0.635)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       ( -1.370, -112.984,  -1.408)  ( -1.281, -112.907,  -1.405)  ( 6.45,  0.07,  0.18)
178:     bond    ( 10.704,  61.334,   0.663)  ( 10.779,  61.399,   0.664)  ( 0.70,  0.10,  0.05)
178:     angle   (-16.150, -176.774,  -2.413)  (-16.137, -176.761,  -2.413)  ( 0.08,  0.01,  0.01)
178:     torsion ( -0.004,  -0.005,   0.241)  ( -0.004,  -0.005,   0.243)  ( 0.00,  0.00,  0.05)
178:     vdw     (  4.081,   2.460,   0.102)  (  4.081,   2.460,   0.102)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (1511.671, 514.801,  32.839)  (1511.714, 514.855,  32.892)  ( 0.00,  0.01,  0.16)
178:     bond    (1515.153, 517.997,  31.429)  (1515.184, 518.038,  31.470)  ( 0.00,  0.01,  0.13)
178:     angle   ( -2.913,  -1.712,   0.561)  ( -2.901,  -1.699,   0.572)  ( 0.43,  0.76,  0.58)
178:     torsion ( -0.009,  -0.018,   0.871)  ( -0.009,  -0.018,   0.871)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -0.560,  -1.465,  -0.022)  ( -0.560,  -1.465,  -0.022)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (-1597.410, -19.629,  16.286)  (-1597.368, -19.574,  16.339)  ( 0.00,  0.28,  0.32)
178:     bond    (-1606.438, -16.395,  16.722)  (-1606.408, -16.353,  16.764)  ( 0.00,  0.25,  0.25)
178:     angle   (  6.182,   1.035,  -0.764)  (  6.194,   1.048,  -0.753)  ( 0.20,  1.27,  0.80)
178:     torsion (  0.004,   0.001,   0.323)  (  0.004,   0.001,   0.323)  ( 0.00,  0.00,  0.01)
178:     vdw     (  2.842,  -4.270,   0.006)  (  2.843,  -4.270,   0.006)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (767.883, -1400.424,  14.698)  (767.935, -1400.378,  14.751)  ( 0.01,  0.00,  0.36)
178:     bond    (773.726, -1413.341,  15.101)  (773.765, -1413.308,  15.143)  ( 0.01,  0.00,  0.28)
178:     angle   ( -2.491,   8.410,  -1.096)  ( -2.478,   8.422,  -1.085)  ( 0.52,  0.15,  0.96)
178:     torsion ( -0.003,   0.007,   0.696)  ( -0.003,   0.007,   0.696)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -3.349,   4.500,  -0.003)  ( -3.348,   4.501,  -0.003)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (  2.573,  35.827,   0.685)  (  2.579,  35.856,   0.685)  ( 0.23,  0.08,  0.03)
178:     bond    ( -0.167,  36.326,   0.800)  ( -0.167,  36.355,   0.800)  ( 0.00,  0.08,  0.01)
178:     angle   ( -1.606,   0.002,  -0.444)  ( -1.600,   0.002,  -0.444)  ( 0.35,  0.00,  0.01)
178:     torsion (  0.001,  -0.006,   0.275)  (  0.001,  -0.006,   0.276)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.345,  -0.496,   0.053)  (  4.345,  -0.496,   0.053)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( -5.358, -55.102,  -3.092)  ( -5.354, -55.074,  -3.088)  ( 0.06,  0.05,  0.13)
178:     bond    ( -0.905, -54.774,  -2.312)  ( -0.905, -54.746,  -2.313)  ( 0.02,  0.05,  0.01)
178:     angle   (  2.713,  -0.017,  -0.653)  (  2.717,  -0.017,  -0.649)  ( 0.12,  0.00,  0.27)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -7.166,  -0.310,  -0.127)  ( -7.166,  -0.310,  -0.127)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       (-23.805,  13.685,  42.227)  (-23.797,  13.691,  42.247)  ( 0.04,  0.04,  0.05)
178:     bond    (-23.472,  15.259,  41.413)  (-23.466,  15.262,  41.432)  ( 0.03,  0.02,  0.05)
178:     angle   (  0.354,  -0.124,   0.245)  (  0.356,  -0.120,   0.246)  ( 0.09,  0.04,  0.03)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.687,  -1.450,   0.570)  ( -0.687,  -1.450,   0.570)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (-26.013,  17.980, -45.828)  (-26.004,  17.987, -45.809)  ( 0.03,  0.04,  0.04)
178:     bond    (-25.679,  20.707, -44.275)  (-25.673,  20.711, -44.257)  ( 0.02,  0.02,  0.04)
178:     angle   (  0.650,  -0.562,  -0.642)  (  0.653,  -0.559,  -0.640)  ( 0.17,  0.19,  0.09)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.984,  -2.165,  -0.912)  ( -0.984,  -2.165,  -0.912)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 18.649,  13.540, -51.805)  ( 18.654,  13.545, -51.781)  ( 0.03,  0.04,  0.05)
178:     bond    ( 17.904,  14.252, -51.223)  ( 17.907,  14.254, -51.200)  ( 0.01,  0.01,  0.05)
178:     angle   ( -0.297,   0.111,  -0.072)  ( -0.295,   0.115,  -0.071)  ( 0.09,  0.04,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.042,  -0.823,  -0.511)  (  1.042,  -0.823,  -0.511)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( 26.856, -48.497,  14.020)  ( 26.862, -48.474,  14.025)  ( 0.02,  0.05,  0.04)
178:     bond    ( 19.705, -50.862,  13.120)  ( 19.708, -50.840,  13.122)  ( 0.02,  0.04,  0.01)
178:     angle   ( -4.217,  -1.717,  -0.326)  ( -4.214,  -1.717,  -0.322)  ( 0.07,  0.04,  0.13)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 11.368,   4.083,   1.226)  ( 11.368,   4.083,   1.226)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       ( 26.291,  34.034,  41.064)  ( 26.297,  34.049,  41.078)  ( 0.02,  0.04,  0.04)
178:     bond    ( 19.193,  38.169,  38.169)  ( 19.196,  38.181,  38.181)  ( 0.01,  0.03,  0.03)
178:     angle   ( -1.707,   1.023,  -0.171)  ( -1.704,   1.026,  -0.169)  ( 0.17,  0.22,  0.04)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.805,  -5.158,   3.066)  (  8.806,  -5.158,   3.066)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-45.738,   8.622,  38.333)  (-45.719,   8.625,  38.345)  ( 0.04,  0.04,  0.03)
178:     bond    (-45.865,  -2.697,  34.786)  (-45.848,  -2.697,  34.796)  ( 0.04,  0.01,  0.03)
178:     angle   ( -0.123,  -3.161,  -0.408)  ( -0.122,  -3.158,  -0.406)  ( 0.02,  0.11,  0.11)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.251,  14.480,   3.955)  (  0.251,  14.480,   3.955)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       (  7.676,  59.393,  23.469)  (  7.690,  59.410,  23.476)  ( 0.17,  0.03,  0.03)
178:     bond    ( 35.496,  42.507,  18.313)  ( 35.506,  42.521,  18.315)  ( 0.03,  0.03,  0.01)
178:     angle   (  5.136,  -3.971,  -0.748)  (  5.138,  -3.970,  -0.744)  ( 0.04,  0.04,  0.28)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-32.955,  20.858,   5.905)  (-32.954,  20.858,   5.905)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-16.429,  12.100, -51.807)  (-16.423,  12.105, -51.782)  ( 0.04,  0.04,  0.05)
178:     bond    (-16.682,  10.967, -51.378)  (-16.680,  10.968, -51.354)  ( 0.01,  0.01,  0.05)
178:     angle   (  0.190,   0.171,  -0.026)  (  0.194,   0.174,  -0.026)  ( 0.07,  0.06,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.063,   0.962,  -0.403)  (  0.063,   0.962,  -0.403)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 20 # gradients 
178: ok 21 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-43.157, -57.858, -15.760)  (-43.113, -57.813, -15.714)  ( 0.10,  0.08,  0.29)
181:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
181:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
181:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
181: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
181:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
181:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
181:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
181:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
181:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
181:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
181:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
181:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
181:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
181:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
181:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
181:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
181:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
181:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
181:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
178:     bond    (-35.273, -59.048,  -4.681)  (-35.239, -59.012,  -4.645)  ( 0.10,  0.06,  0.77)
178:     angle   (  2.958,  -4.652,  -6.413)  (  2.968,  -4.643,  -6.403)  ( 0.35,  0.21,  0.15)
178:     torsion (-10.119,   7.010,  -5.676)  (-10.119,   7.010,  -5.676)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.723,  -1.168,   1.011)  ( -0.723,  -1.168,   1.011)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-100.883,  87.937,  23.820)  (-100.833,  87.984,  23.865)  ( 0.05,  0.05,  0.19)
178:     bond    (-17.248,  54.348,  -8.568)  (-17.211,  54.384,  -8.534)  ( 0.21,  0.07,  0.40)
178:     angle   (-68.485,  29.034,  43.678)  (-68.473,  29.044,  43.688)  ( 0.02,  0.04,  0.02)
178:     torsion (-12.304,   3.441,  -6.010)  (-12.304,   3.441,  -6.009)  ( 0.00,  0.01,  0.01)
178:     vdw     ( -2.845,   1.115,  -5.280)  ( -2.845,   1.115,  -5.280)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       ( 83.272,  35.908, -40.149)  ( 83.320,  35.955, -40.100)  ( 0.06,  0.13,  0.12)
178:     bond    ( 87.746, -16.745,  66.765)  ( 87.783, -16.709,  66.800)  ( 0.04,  0.21,  0.05)
178:     angle   ( -1.809,  46.196, -96.218)  ( -1.799,  46.206, -96.206)  ( 0.56,  0.02,  0.01)
178:     torsion (  0.427,   6.068,  -7.908)  (  0.427,   6.068,  -7.908)  ( 0.01,  0.01,  0.01)
178:     vdw     ( -3.092,   0.390,  -2.787)  ( -3.091,   0.390,  -2.787)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       ( 89.504, -10.397,  77.576)  ( 89.552, -10.348,  77.622)  ( 0.05,  0.47,  0.06)
178:     bond    (123.465,  45.957,   9.509)  (123.502,  45.993,   9.544)  ( 0.03,  0.08,  0.38)
178:     angle   (-29.372, -47.675,  85.067)  (-29.361, -47.662,  85.076)  ( 0.04,  0.03,  0.01)
178:     torsion ( -2.621,  -5.704, -17.085)  ( -2.620,  -5.703, -17.083)  ( 0.01,  0.01,  0.01)
178:     vdw     ( -1.968,  -2.976,   0.085)  ( -1.968,  -2.976,   0.085)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-16.876, 120.283, -38.120)  (-16.799, 120.339, -38.106)  ( 0.46,  0.05,  0.03)
178:     bond    (-49.888, 112.320, -15.047)  (-49.824, 112.364, -15.045)  ( 0.13,  0.04,  0.02)
178:     angle   ( 29.879,  10.202, -44.047)  ( 29.891,  10.213, -44.044)  ( 0.04,  0.11,  0.01)
178:     torsion (  2.169,   4.373,  21.249)  (  2.169,   4.374,  21.256)  ( 0.01,  0.01,  0.03)
178:     vdw     (  0.964,  -6.612,  -0.274)  (  0.964,  -6.612,  -0.274)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-12.755,  -8.547,  19.128)  (-12.683,  -8.491,  19.140)  ( 0.56,  0.65,  0.07)
178:     bond    (-33.935,  21.618,  -4.334)  (-33.870,  21.663,  -4.332)  ( 0.19,  0.21,  0.04)
178:     angle   ( 18.512, -26.882,  13.525)  ( 18.518, -26.871,  13.527)  ( 0.03,  0.04,  0.01)
178:     torsion ( -1.569,  -1.258,   8.280)  ( -1.569,  -1.258,   8.289)  ( 0.00,  0.02,  0.11)
178:     vdw     (  3.877,  -1.998,   1.768)  (  3.877,  -1.997,   1.768)  ( 0.00,  0.01,  0.00)
178:     electro (  0.360,  -0.027,  -0.111)  (  0.360,  -0.027,  -0.111)  ( 0.00,  0.00,  0.00)
178:  7       ( 16.723, -19.158, -22.610)  ( 16.771, -19.109, -22.565)  ( 0.29,  0.25,  0.20)
178:     bond    (-40.310,  17.683,   2.533)  (-40.275,  17.720,   2.569)  ( 0.09,  0.21,  1.42)
178:     angle   ( 56.487, -28.902, -14.426)  ( 56.499, -28.891, -14.419)  ( 0.02,  0.04,  0.05)
178:     torsion (  0.746,  -4.538, -14.758)  (  0.747,  -4.538, -14.757)  ( 0.02,  0.00,  0.01)
178:     vdw     ( -0.200,  -3.401,   4.042)  ( -0.200,  -3.401,   4.043)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-77.334,  40.329,  40.858)  (-77.286,  40.377,  40.905)  ( 0.06,  0.12,  0.12)
178:     bond    (-39.454,  13.633, -79.926)  (-39.418,  13.669, -79.890)  ( 0.09,  0.26,  0.05)
178:     angle   (-37.693,  29.316, 117.397)  (-37.682,  29.327, 117.407)  ( 0.03,  0.04,  0.01)
178:     torsion ( -2.457,  -0.129,   5.851)  ( -2.457,  -0.129,   5.852)  ( 0.02,  0.01,  0.02)
178:     vdw     (  2.270,  -2.491,  -2.463)  (  2.271,  -2.491,  -2.463)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (-32.727,  72.726, -92.423)  (-32.676,  72.773, -92.377)  ( 0.15,  0.06,  0.05)
178:     bond    (-70.963,  69.134, -38.807)  (-70.925,  69.169, -38.773)  ( 0.05,  0.05,  0.09)
178:     angle   ( 35.155,  12.704, -44.465)  ( 35.166,  12.715, -44.454)  ( 0.03,  0.09,  0.02)
178:     torsion (  1.189,  -6.727, -14.033)  (  1.189,  -6.727, -14.032)  ( 0.04,  0.01,  0.01)
178:     vdw     (  1.893,  -2.384,   4.882)  (  1.893,  -2.384,   4.882)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       ( 44.464, -48.929,  61.410)  ( 44.508, -48.879,  61.457)  ( 0.10,  0.10,  0.08)
178:     bond    ( 67.926,  38.675,   8.425)  ( 67.960,  38.713,   8.462)  ( 0.05,  0.10,  0.44)
178:     angle   (-27.457, -76.524,  61.567)  (-27.447, -76.512,  61.578)  ( 0.04,  0.02,  0.02)
178:     torsion ( -0.580,  -7.062,  -4.838)  ( -0.580,  -7.062,  -4.838)  ( 0.01,  0.00,  0.00)
178:     vdw     (  4.575,  -4.018,  -3.745)  (  4.575,  -4.018,  -3.744)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       ( 38.280,  17.925,   3.568)  ( 38.330,  17.968,   3.615)  ( 0.13,  0.24,  1.30)
178:     bond    (-69.082, -10.191, -36.229)  (-69.044, -10.157, -36.192)  ( 0.05,  0.33,  0.10)
178:     angle   (107.978,  26.787,  34.426)  (107.991,  26.797,  34.436)  ( 0.01,  0.04,  0.03)
178:     torsion ( -1.672,   4.500,   7.054)  ( -1.673,   4.500,   7.054)  ( 0.01,  0.00,  0.00)
178:     vdw     (  1.056,  -3.172,  -1.683)  (  1.056,  -3.172,  -1.683)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-98.542,  74.045,   2.083)  (-98.495,  74.097,   2.128)  ( 0.05,  0.07,  2.18)
178:     bond    (-141.621, 186.409,  73.122)  (-141.586, 186.449,  73.158)  ( 0.02,  0.02,  0.05)
178:     angle   ( 34.325, -116.783, -77.784)  ( 34.337, -116.772, -77.775)  ( 0.03,  0.01,  0.01)
178:     torsion (  5.221,   5.365,   2.771)  (  5.221,   5.366,   2.771)  ( 0.00,  0.01,  0.01)
178:     vdw     (  3.533,  -0.946,   3.974)  (  3.533,  -0.946,   3.974)  ( 0.00,  0.02,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       ( 36.346, -83.238,  61.357)  ( 36.394, -83.190,  61.402)  ( 0.13,  0.06,  0.07)
178:     bond    (147.059, -249.016,  46.400)  (147.096, -248.980,  46.437)  ( 0.03,  0.01,  0.08)
178:     angle   (-110.087, 158.572,  20.299)  (-110.076, 158.583,  20.307)  ( 0.01,  0.01,  0.04)
178:     torsion ( -0.419,   7.923,  -3.565)  ( -0.419,   7.923,  -3.565)  ( 0.01,  0.01,  0.01)
178:     vdw     ( -0.207,  -0.717,  -1.777)  ( -0.207,  -0.717,  -1.777)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (-48.694, -19.654, -22.015)  (-48.645, -19.604, -21.969)  ( 0.10,  0.25,  0.21)
178:     bond    (-177.197, 144.883, -85.836)  (-177.159, 144.920, -85.800)  ( 0.02,  0.03,  0.04)
178:     angle   (124.575, -165.352,  61.932)  (124.586, -165.340,  61.941)  ( 0.01,  0.01,  0.01)
178:     torsion (  3.993,  -1.169,  -0.328)  (  3.993,  -1.169,  -0.328)  ( 0.01,  0.03,  0.02)
178:     vdw     ( -0.065,   1.984,   2.217)  ( -0.065,   1.985,   2.217)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (-71.792, -15.511,   1.596)  (-71.745, -15.461,   1.641)  ( 0.07,  0.32,  2.85)
178:     bond    ( 20.082, -185.807,  55.479)  ( 20.118, -185.771,  55.516)  ( 0.18,  0.02,  0.07)
178:     angle   (-91.970, 175.343, -54.362)  (-91.959, 175.356, -54.354)  ( 0.01,  0.01,  0.01)
178:     torsion ( -3.370,   1.693,  -3.891)  ( -3.369,   1.694,  -3.891)  ( 0.01,  0.02,  0.02)
178:     vdw     (  3.466,  -6.740,   4.370)  (  3.466,  -6.740,   4.370)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( 51.385, -21.587,  21.356)  ( 51.434, -21.539,  21.402)  ( 0.10,  0.22,  0.21)
178:     bond    (-19.694, 121.030, -58.118)  (-19.656, 121.065, -58.081)  ( 0.19,  0.03,  0.06)
178:     angle   ( 69.837, -141.903,  61.310)  ( 69.849, -141.891,  61.318)  ( 0.02,  0.01,  0.01)
178:     torsion (  2.559,  -0.466,  18.458)  (  2.560,  -0.466,  18.459)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -1.318,  -0.247,  -0.294)  ( -1.318,  -0.247,  -0.294)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       (-10.253, -102.133, -51.010)  (-10.207, -102.084, -50.966)  ( 0.45,  0.05,  0.09)
178:     bond    (-28.447, -159.003,  29.684)  (-28.413, -158.965,  29.719)  ( 0.12,  0.02,  0.12)
178:     angle   ( 12.943,  52.128, -74.991)  ( 12.954,  52.138, -74.982)  ( 0.09,  0.02,  0.01)
178:     torsion (  3.356,   4.210,  -5.951)  (  3.357,   4.210,  -5.951)  ( 0.01,  0.01,  0.01)
178:     vdw     (  1.895,   0.533,   0.247)  (  1.895,   0.533,   0.247)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (-54.928, 102.095,  29.273)  (-54.879, 102.144,  29.321)  ( 0.09,  0.05,  0.16)
178:     bond    ( 11.301,  32.987,  -2.137)  ( 11.337,  33.023,  -2.101)  ( 0.32,  0.11,  1.69)
178:     angle   (-69.740,  63.731,  23.901)  (-69.728,  63.743,  23.912)  ( 0.02,  0.02,  0.05)
178:     torsion (  5.988,   1.482,   9.002)  (  5.988,   1.482,   9.002)  ( 0.00,  0.01,  0.01)
178:     vdw     ( -2.477,   3.896,  -1.492)  ( -2.477,   3.896,  -1.492)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 69.073,  20.711,  31.491)  ( 69.123,  20.760,  31.539)  ( 0.07,  0.24,  0.15)
178:     bond    (-21.798,  14.016,  -5.128)  (-21.761,  14.052,  -5.092)  ( 0.17,  0.26,  0.70)
178:     angle   ( 80.219,   8.337,  47.063)  ( 80.232,   8.349,  47.075)  ( 0.02,  0.15,  0.02)
178:     torsion (  3.727,  -2.310,  -8.511)  (  3.727,  -2.310,  -8.511)  ( 0.00,  0.02,  0.00)
178:     vdw     (  6.925,   0.668,  -1.933)  (  6.925,   0.668,  -1.933)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       ( -7.171,  23.454, -62.548)  ( -7.123,  23.503, -62.499)  ( 0.67,  0.21,  0.08)
178:     bond    ( 23.122, -25.258,  29.921)  ( 23.158, -25.222,  29.958)  ( 0.16,  0.14,  0.12)
178:     angle   (-11.516,  45.007, -87.338)  (-11.504,  45.019, -87.325)  ( 0.10,  0.03,  0.01)
178:     torsion ( -9.097,  -1.641,   0.497)  ( -9.097,  -1.640,   0.497)  ( 0.00,  0.02,  0.00)
178:     vdw     ( -9.681,   5.346,  -5.628)  ( -9.680,   5.346,  -5.628)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (144.865, -30.438, -24.155)  (144.917, -30.393, -24.106)  ( 0.04,  0.15,  0.20)
178:     bond    (239.288,   1.092, -29.295)  (239.327,   1.126, -29.259)  ( 0.02,  3.11,  0.12)
178:     angle   (-88.078, -27.976,   1.591)  (-88.067, -27.965,   1.604)  ( 0.01,  0.04,  0.78)
178:     torsion ( -7.170,  -3.843,   5.011)  ( -7.169,  -3.842,   5.012)  ( 0.01,  0.02,  0.01)
178:     vdw     (  0.825,   0.289,  -1.463)  (  0.825,   0.289,  -1.463)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-20.334,   2.956,  65.639)  (-20.286,   3.004,  65.690)  ( 0.24,  1.64,  0.08)
178:     bond    ( 19.005, -37.785, -74.502)  ( 19.040, -37.749, -74.464)  ( 0.19,  0.10,  0.05)
178:     angle   (-42.069,  41.502, 132.387)  (-42.057,  41.514, 132.400)  ( 0.03,  0.03,  0.01)
178:     torsion (  2.721,  -5.226,   2.966)  (  2.721,  -5.225,   2.966)  ( 0.02,  0.01,  0.00)
178:     vdw     (  0.010,   4.465,   4.787)  (  0.010,   4.465,   4.787)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       (-11.747,  14.520, -78.438)  (-11.700,  14.568, -78.390)  ( 0.40,  0.33,  0.06)
178:     bond    (-71.103, -56.281,  36.238)  (-71.066, -56.245,  36.274)  ( 0.05,  0.06,  0.10)
178:     angle   ( 64.964,  52.726, -106.755)  ( 64.974,  52.736, -106.743)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
179:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
179:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
179:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
179:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
179:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
179:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
179:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 6 # gradients 
179: ok 7 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
179:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
179:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
179:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
179:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
179:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
179:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
179:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
179:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
179:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
179:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
179:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
179:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
179:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
179:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
179:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
179:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
179:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
178:     torsion ( -1.038,  13.634,  -5.367)  ( -1.037,  13.635,  -5.367)  ( 0.03,  0.01,  0.01)
178:     vdw     ( -4.571,   4.440,  -2.554)  ( -4.571,   4.441,  -2.554)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-32.475,  31.345,  32.192)  (-32.426,  31.394,  32.237)  ( 0.15,  0.16,  0.14)
178:     bond    (102.715, -66.398, -21.758)  (102.751, -66.360, -21.722)  ( 0.03,  0.06,  0.16)
178:     angle   (-123.808,  88.959,  53.785)  (-123.795,  88.970,  53.794)  ( 0.01,  0.01,  0.02)
178:     torsion (-10.267,   8.070,   8.876)  (-10.266,   8.070,   8.877)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -1.115,   0.714,  -8.712)  ( -1.115,   0.714,  -8.711)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (-103.569, -128.136,  25.148)  (-103.521, -128.087,  25.195)  ( 0.05,  0.04,  0.19)
178:     bond    (-211.119, -73.410, 130.098)  (-211.083, -73.372, 130.134)  ( 0.02,  0.05,  0.03)
178:     angle   (101.310, -53.221, -82.739)  (101.321, -53.210, -82.729)  ( 0.01,  0.02,  0.01)
178:     torsion (  5.623,  -5.739, -21.891)  (  5.624,  -5.739, -21.890)  ( 0.01,  0.01,  0.00)
178:     vdw     (  0.617,   4.234,  -0.319)  (  0.617,   4.234,  -0.319)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (148.003, -52.584, -46.357)  (148.054, -52.537, -46.309)  ( 0.03,  0.09,  0.10)
178:     bond    (221.998, -39.244, -98.043)  (222.035, -39.208, -98.006)  ( 0.02,  0.09,  0.04)
178:     angle   (-70.313, -11.690,  49.482)  (-70.300, -11.680,  49.490)  ( 0.02,  0.09,  0.02)
178:     torsion ( -2.951,  -1.563,   3.076)  ( -2.951,  -1.562,   3.078)  ( 0.01,  0.06,  0.06)
178:     vdw     ( -0.731,  -0.087,  -0.871)  ( -0.731,  -0.086,  -0.871)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (-28.670,   8.134,  59.350)  (-28.622,   8.183,  59.400)  ( 0.17,  0.60,  0.09)
178:     bond    ( 16.428, -45.067, -62.295)  ( 16.463, -45.031, -62.257)  ( 0.22,  0.08,  0.06)
178:     angle   (-41.522,  59.612, 114.960)  (-41.510,  59.624, 114.973)  ( 0.03,  0.02,  0.01)
178:     torsion ( -2.101,  -4.714,   1.575)  ( -2.100,  -4.713,   1.575)  ( 0.02,  0.01,  0.01)
178:     vdw     ( -1.474,  -1.697,   5.109)  ( -1.474,  -1.697,   5.109)  ( 0.02,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (-65.776, -116.444, -168.849)  (-65.743, -116.432, -168.814)  ( 0.05,  0.01,  0.02)
178:     bond    (-91.400, -64.178, -145.605)  (-91.369, -64.168, -145.576)  ( 0.03,  0.02,  0.02)
178:     angle   (  5.291,   5.909, -19.982)  (  5.292,   5.911, -19.975)  ( 0.03,  0.03,  0.03)
178:     torsion ( 24.755, -54.327,  -0.890)  ( 24.755, -54.327,  -0.890)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.356,  -3.531,  -2.419)  ( -4.356,  -3.531,  -2.419)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.065,  -0.317,   0.047)  ( -0.065,  -0.317,   0.047)  ( 0.00,  0.00,  0.00)
178: 29       ( 13.541,  -1.375,  14.413)  ( 13.545,  -1.368,  14.436)  ( 0.03,  0.57,  0.16)
178:     bond    ( -2.527,   6.305,  13.258)  ( -2.526,   6.310,  13.280)  ( 0.03,  0.08,  0.17)
178:     angle   ( -1.790,  -7.991,   3.455)  ( -1.787,  -7.989,   3.456)  ( 0.15,  0.03,  0.02)
178:     torsion ( 11.156,   1.862,   1.237)  ( 11.156,   1.862,   1.237)  ( 0.00,  0.01,  0.00)
178:     vdw     (  6.701,  -1.551,  -3.538)  (  6.702,  -1.551,  -3.538)  ( 0.01,  0.02,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( 13.658,   3.967,   4.154)  ( 13.663,   3.973,   4.179)  ( 0.04,  0.14,  0.60)
178:     bond    ( -4.385,   6.385,  21.147)  ( -4.384,   6.387,  21.172)  ( 0.02,  0.03,  0.12)
178:     angle   ( -5.782,   6.470,  -3.150)  ( -5.779,   6.473,  -3.149)  ( 0.05,  0.04,  0.01)
178:     torsion ( -7.214,   3.986,  -2.696)  ( -7.214,   3.986,  -2.696)  ( 0.00,  0.01,  0.00)
178:     vdw     ( 31.039, -12.874, -11.148)  ( 31.040, -12.874, -11.148)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
179:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
179:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
179:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
179:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
179:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
179:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
179:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
179:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
179: ok 8 # gradients 
179: ok 9 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
179:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
179:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
179:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
179:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
179:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
179:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
179:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
179:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
179:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
179:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
179:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
179:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
179:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
179:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
179:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 10 # gradients 
179: ok 11 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
178: 31       (  1.990,   9.393,   5.876)  (  1.994,   9.399,   5.901)  ( 0.22,  0.06,  0.42)
178:     bond    ( -2.566,   4.555,  13.872)  ( -2.565,   4.558,  13.897)  ( 0.03,  0.06,  0.18)
178:     angle   ( -2.429,   9.198,  -3.466)  ( -2.426,   9.201,  -3.466)  ( 0.12,  0.03,  0.01)
178:     torsion (  6.879,   9.288,  -1.777)  (  6.879,   9.289,  -1.777)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.105, -13.649,  -2.753)  (  0.106, -13.648,  -2.753)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       ( 57.837,   1.786, -27.115)  ( 57.842,   1.793, -27.093)  ( 0.01,  0.42,  0.08)
178:     bond    (  3.506,  -7.742, -15.918)  (  3.507,  -7.737, -15.897)  ( 0.03,  0.07,  0.14)
178:     angle   (  9.605,   7.418,  -1.493)  (  9.608,   7.421,  -1.492)  ( 0.03,  0.03,  0.04)
178:     torsion ( 18.659,  -1.057,   4.631)  ( 18.659,  -1.057,   4.631)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 26.067,   3.167, -14.335)  ( 26.068,   3.167, -14.335)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       ( 14.364, -13.743, -37.821)  ( 14.377, -13.739, -37.804)  ( 0.10,  0.03,  0.05)
178:     bond    ( -7.727,   1.849,  -8.864)  ( -7.715,   1.850,  -8.848)  ( 0.15,  0.03,  0.17)
178:     angle   ( 33.140, -19.453, -32.965)  ( 33.142, -19.450, -32.963)  ( 0.01,  0.01,  0.01)
178:     torsion ( -4.366,   1.112,   4.039)  ( -4.366,   1.112,   4.039)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -6.683,   2.749,  -0.032)  ( -6.683,   2.750,  -0.032)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       ( 23.884, -10.167,  29.657)  ( 23.892, -10.160,  29.677)  ( 0.04,  0.07,  0.07)
178:     bond    ( -7.250,   6.500,  13.231)  ( -7.245,   6.504,  13.249)  ( 0.07,  0.07,  0.14)
178:     angle   ( 47.238, -12.047,  31.744)  ( 47.240, -12.044,  31.746)  ( 0.01,  0.02,  0.00)
178:     torsion (  9.341,  -1.519,   5.853)  (  9.341,  -1.519,   5.854)  ( 0.00,  0.00,  0.00)
178:     vdw     (-25.444,  -3.102, -21.171)  (-25.444,  -3.102, -21.171)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       ( 10.332, -31.970,   1.348)  ( 10.338, -31.963,   1.370)  ( 0.06,  0.02,  1.69)
178:     bond    (  3.124,  -3.066,  -8.742)  (  3.127,  -3.063,  -8.719)  ( 0.09,  0.09,  0.25)
178:     angle   ( 12.608, -22.166,  12.308)  ( 12.611, -22.163,  12.308)  ( 0.02,  0.01,  0.00)
178:     torsion (  0.153,  -7.870,   2.819)  (  0.153,  -7.869,   2.819)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.553,   1.132,  -5.038)  ( -5.553,   1.132,  -5.038)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 36       ( -6.466,  20.884,  20.761)  ( -6.462,  20.911,  20.765)  ( 0.07,  0.13,  0.02)
178:     bond    ( -3.810,  19.131,  -1.834)  ( -3.809,  19.158,  -1.834)  ( 0.03,  0.14,  0.01)
178:     angle   (  4.504,   3.776,  30.076)  (  4.507,   3.776,  30.079)  ( 0.06,  0.00,  0.01)
178:     torsion (  2.297,   0.110,  -3.623)  (  2.297,   0.110,  -3.623)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -9.457,  -2.132,  -3.858)  ( -9.456,  -2.132,  -3.858)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 37       (-12.946,  50.711,   2.547)  (-12.941,  50.715,   2.571)  ( 0.05,  0.01,  0.96)
178:     bond    ( -4.292,   1.550,  11.849)  ( -4.289,   1.550,  11.873)  ( 0.07,  0.02,  0.20)
178:     angle   (-11.613,  41.830,  -9.657)  (-11.611,  41.833,  -9.657)  ( 0.02,  0.01,  0.00)
178:     torsion ( -0.350,  14.090,  -1.966)  ( -0.350,  14.090,  -1.966)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.310,  -6.758,   2.322)  (  3.310,  -6.758,   2.322)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 38       ( 12.162,  -2.679, -25.125)  ( 12.166,  -2.652, -25.121)  ( 0.04,  0.99,  0.01)
178:     bond    (  0.872,  -4.448,  -0.345)  (  0.873,  -4.421,  -0.345)  ( 0.09,  0.60,  0.00)
178:     angle   ( 29.617,   8.776, -37.482)  ( 29.620,   8.776, -37.478)  ( 0.01,  0.00,  0.01)
179:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
179:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
179:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
179:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
179:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
179:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
179:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
179:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
179:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
179:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
179:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
179:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
179:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
179:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
179:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
179:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
179:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
179:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
180:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
180:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
180:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
180:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
180:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
180:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
180:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
180:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
180:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
180:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
180:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
180:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
180:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
180:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
180:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
180:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
180:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
180:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
180:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
180:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
180:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
180: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
180:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
180:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
180:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
180:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
180:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
180:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
180: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
180:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
180:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
180:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
180:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
180:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
180:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
180: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
178:     torsion ( -3.954,  -1.555,   9.923)  ( -3.954,  -1.555,   9.923)  ( 0.00,  0.00,  0.00)
178:     vdw     (-14.374,  -5.451,   2.779)  (-14.373,  -5.451,   2.779)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 39       (-11.317,  11.623,   1.301)  (-11.314,  11.651,   1.304)  ( 0.03,  0.24,  0.26)
178:     bond    ( -0.745,  13.908,  -2.464)  ( -0.745,  13.936,  -2.463)  ( 0.01,  0.20,  0.04)
178:     angle   (-23.223,  -1.528,  -1.621)  (-23.220,  -1.528,  -1.621)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.064,   0.711,   4.004)  (  0.064,   0.712,   4.006)  ( 0.00,  0.00,  0.06)
178:     vdw     ( 12.897,  -1.590,   1.285)  ( 12.898,  -1.590,   1.285)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.311,   0.122,   0.097)  ( -0.311,   0.122,   0.097)  ( 0.00,  0.00,  0.00)
178: 40       (  9.143,   6.478,  24.537)  (  9.153,   6.483,  24.556)  ( 0.11,  0.08,  0.08)
178:     bond    ( 10.107,  -5.604,  15.334)  ( 10.114,  -5.601,  15.351)  ( 0.08,  0.04,  0.12)
178:     angle   ( -9.548,  13.884,  11.355)  ( -9.546,  13.887,  11.357)  ( 0.02,  0.02,  0.01)
178:     torsion (  6.178,   3.402,  -2.829)  (  6.179,   3.402,  -2.829)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.406,  -5.205,   0.678)  (  2.406,  -5.205,   0.678)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 41       ( -4.650,   7.844, -34.403)  ( -4.641,   7.850, -34.384)  ( 0.20,  0.07,  0.06)
178:     bond    ( 10.859,  -6.746, -17.542)  ( 10.866,  -6.743, -17.524)  ( 0.06,  0.04,  0.10)
178:     angle   ( -5.836,  27.046, -14.027)  ( -5.834,  27.049, -14.026)  ( 0.04,  0.01,  0.01)
178:     torsion ( -7.800,  -2.305,  -3.950)  ( -7.800,  -2.304,  -3.950)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.873, -10.151,   1.116)  ( -1.873, -10.151,   1.116)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 42       (-18.227,  16.574,  22.437)  (-18.223,  16.579,  22.464)  ( 0.02,  0.03,  0.12)
178:     bond    ( -4.536,  -1.204,  23.491)  ( -4.535,  -1.204,  23.517)  ( 0.02,  0.00,  0.11)
178:     angle   (-18.756,  29.534,  -2.104)  (-18.754,  29.538,  -2.104)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.359,  12.650,   0.578)  ( -0.359,  12.650,   0.578)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.424, -24.406,   0.473)  (  5.425, -24.406,   0.473)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 43       (  9.439, -23.152, -26.152)  (  9.445, -23.130, -26.147)  ( 0.07,  0.10,  0.02)
178:     bond    ( 10.127, -23.154,  -7.124)  ( 10.131, -23.133,  -7.122)  ( 0.04,  0.09,  0.03)
178:     angle   (  3.098,  12.480, -36.129)  (  3.100,  12.481, -36.126)  ( 0.07,  0.00,  0.01)
178:     torsion ( -4.414,  -5.361,  11.133)  ( -4.414,  -5.361,  11.133)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.628,  -7.117,   5.968)  (  0.628,  -7.117,   5.968)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 44       (-18.308,  21.708,  37.195)  (-18.302,  21.715,  37.216)  ( 0.03,  0.03,  0.06)
178:     bond    ( 12.023,  14.421,  31.723)  ( 12.026,  14.425,  31.744)  ( 0.02,  0.03,  0.06)
178:     angle   (-25.967,  22.741,  -0.499)  (-25.964,  22.743,  -0.498)  ( 0.01,  0.01,  0.04)
178:     torsion ( -6.470,  -5.757,   5.067)  ( -6.470,  -5.757,   5.067)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.106,  -9.696,   0.903)  (  2.106,  -9.695,   0.903)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 45       ( 17.466,  -4.350, -19.478)  ( 17.485,  -4.344, -19.468)  ( 0.11,  0.14,  0.05)
178:     bond    ( 15.328,  -6.631,  -9.661)  ( 15.346,  -6.628,  -9.654)  ( 0.11,  0.05,  0.07)
178:     angle   (-12.774,  -6.804, -15.635)  (-12.772,  -6.801, -15.633)  ( 0.01,  0.04,  0.02)
178:     torsion (  4.665,   8.801,   1.373)  (  4.665,   8.801,   1.373)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 10.247,   0.284,   4.446)  ( 10.247,   0.284,   4.446)  ( 0.00,  0.01,  0.00)
179:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
179:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
179:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
179:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
179:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 12 # gradients 
179: ok 13 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
181:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
181:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
181:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
181:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
181:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
181:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
181:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
181:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
181:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
181:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
181:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
181:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
181:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
181:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 46       (  5.443, -10.453,  10.349)  (  5.446, -10.446,  10.374)  ( 0.06,  0.07,  0.24)
178:     bond    ( -1.383,   3.610,  10.485)  ( -1.382,   3.613,  10.510)  ( 0.03,  0.08,  0.23)
178:     angle   ( -3.762,   9.525,  -3.770)  ( -3.759,   9.528,  -3.769)  ( 0.07,  0.03,  0.01)
178:     torsion (  2.060, -14.244,   5.167)  (  2.060, -14.244,   5.167)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.527,  -9.343,  -1.534)  (  8.528,  -9.342,  -1.534)  ( 0.01,  0.01,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 47       ( 14.909,  24.069,  -0.998)  ( 14.921,  24.080,  -0.985)  ( 0.08,  0.04,  1.22)
178:     bond    (-19.186,  18.209,  19.946)  (-19.177,  18.217,  19.955)  ( 0.05,  0.05,  0.05)
178:     angle   (-10.140, -12.273,   1.458)  (-10.138, -12.271,   1.460)  ( 0.02,  0.02,  0.11)
178:     torsion (  1.713,  -3.616,   4.947)  (  1.713,  -3.616,   4.947)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 42.522,  21.749, -27.348)  ( 42.523,  21.749, -27.347)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 48       (  0.271,  -6.369, -45.452)  (  0.284,  -6.356, -45.443)  ( 0.33,  0.21,  0.02)
178:     bond    ( 15.320, -16.319, -12.372)  ( 15.330, -16.308, -12.365)  ( 0.06,  0.07,  0.05)
178:     angle   ( -6.821,  10.229, -21.950)  ( -6.819,  10.231, -21.947)  ( 0.03,  0.02,  0.01)
178:     torsion ( -4.990,   5.362, -13.259)  ( -4.990,   5.362, -13.259)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.237,  -5.641,   2.128)  ( -3.237,  -5.641,   2.128)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 49       (  1.829,   5.218,  10.089)  (  1.832,   5.223,  10.115)  ( 0.19,  0.10,  0.26)
178:     bond    (  0.604,  -2.066,   9.001)  (  0.604,  -2.065,   9.027)  ( 0.00,  0.06,  0.29)
178:     angle   (-16.609,   6.716,   2.648)  (-16.606,   6.719,   2.648)  ( 0.02,  0.05,  0.01)
178:     torsion (  8.906,  -7.026,  -2.203)  (  8.906,  -7.026,  -2.203)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.928,   7.594,   0.643)  (  8.928,   7.595,   0.643)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 50       (-11.640,   3.698,  15.971)  (-11.634,   3.710,  15.987)  ( 0.06,  0.32,  0.10)
178:     bond    ( -5.694,   8.448,  10.662)  ( -5.690,   8.457,  10.677)  ( 0.07,  0.11,  0.14)
178:     angle   (  7.408,  -8.795,  10.912)  (  7.411,  -8.792,  10.914)  ( 0.03,  0.02,  0.02)
178:     torsion ( -7.136,   5.355,  -8.045)  ( -7.136,   5.355,  -8.045)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.219,  -1.310,   2.441)  ( -6.218,  -1.310,   2.441)  ( 0.00,  0.03,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 51       ( 66.926,   4.468, -23.568)  ( 66.934,   4.475, -23.545)  ( 0.01,  0.16,  0.10)
178:     bond    (-15.111,  19.836, -44.913)  (-15.108,  19.840, -44.892)  ( 0.01,  0.02,  0.05)
178:     angle   (-11.684, -27.275,  -8.122)  (-11.681, -27.272,  -8.122)  ( 0.02,  0.01,  0.01)
178:     torsion (  8.855,  -9.794,  -7.309)  (  8.855,  -9.794,  -7.309)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 84.866,  21.701,  36.777)  ( 84.869,  21.701,  36.777)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 52       (-18.901,  20.130,  41.937)  (-18.895,  20.135,  41.961)  ( 0.03,  0.02,  0.06)
178:     bond    (  8.042,  -5.998,  22.303)  (  8.045,  -5.996,  22.326)  ( 0.04,  0.03,  0.10)
178:     angle   (-15.750,  30.338,  13.823)  (-15.747,  30.341,  13.824)  ( 0.02,  0.01,  0.00)
178:     torsion ( -8.777,   2.120,   3.732)  ( -8.777,   2.120,   3.732)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.416,  -6.330,   2.079)  ( -2.416,  -6.330,   2.079)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 53       ( -2.896,  -4.389, -11.917)  ( -2.889,  -4.374, -11.904)  ( 0.24,  0.34,  0.11)
178:     bond    (  1.758,  -3.138,  -2.882)  (  1.762,  -3.126,  -2.871)  ( 0.23,  0.41,  0.38)
181:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
181:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
181:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
181:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
181:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
181: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
181:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
181:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
181:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
181:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
181: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
181:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
181:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
181:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
181: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
181:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
181:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
181:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
181: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
181:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
181:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
181:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
181:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
181: ok 2 # gradients 
181: ok 3 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  0.018,  -0.341,  -0.002)  (  0.027,  -0.334,  -0.000)  ( 0.02,  0.23,  0.00)
181:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
181:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
181:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
181:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.623,  -1.889,  -0.753)  ( -2.623,  -1.889,  -0.753)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
181:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
181:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
181:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
181:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  0.063,   0.140,   0.024)  (  0.065,   0.142,   0.025)  ( 0.01,  0.04,  0.00)
181:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
181:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
181:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.101,   0.024,  -0.290)  ( -1.101,   0.024,  -0.290)  ( 0.00,  0.00,  0.00)
181:  4       ( -0.062,   0.129,  -0.016)  ( -0.061,   0.132,  -0.016)  ( 0.01,  0.04,  0.00)
181:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
181:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
181:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.793,   0.911,  -0.180)  ( -0.793,   0.911,  -0.180)  ( 0.00,  0.00,  0.00)
181:  5       (  0.040,  -0.110,   0.006)  (  0.041,  -0.107,   0.006)  ( 0.01,  0.03,  0.00)
181:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
181:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
181:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
181:     electro (  1.889,   1.405,   0.544)  (  1.889,   1.405,   0.544)  ( 0.00,  0.00,  0.00)
181:  6       (  0.390,  -0.270,   0.111)  (  0.397,  -0.259,   0.113)  ( 0.24,  0.29,  0.02)
181:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
181:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
181:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
181:     electro (  3.577,   0.972,   0.975)  (  3.577,   0.972,   0.975)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.447,  -0.202,  -0.130)  ( -0.443,  -0.195,  -0.129)  ( 0.18,  0.16,  0.01)
181:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
181:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.949,  -1.423,  -0.296)  ( -0.949,  -1.423,  -0.296)  ( 0.00,  0.00,  0.00)
181: ok 4 # gradients 
181: ok 5 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( -0.272,   0.975,  -1.711)  ( -0.266,   0.978,  -1.706)  ( 0.14,  0.26,  0.24)
181:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
181:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
181:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
181:     torsion ( -0.109,   0.451,  -0.803)  ( -0.109,   0.451,  -0.803)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
181:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.018,   0.358,  -0.630)  ( -1.018,   0.358,  -0.630)  ( 0.00,  0.00,  0.00)
181:  2       (  0.141,  -0.327,   0.169)  (  0.149,  -0.299,   0.191)  ( 0.11,  0.92,  0.37)
181:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
181:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
181:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
181:     torsion (  0.021,  -0.143,   0.129)  (  0.021,  -0.143,   0.129)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.137,  -0.079)  ( -0.000,  -0.113,  -0.065)  ( 0.00,  0.34,  0.11)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.084,  -0.016,   0.020)  ( -0.082,  -0.019,   0.022)  ( 0.02,  0.00,  0.01)
181:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
181:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,  -0.057,  -0.033)  (  0.000,  -0.056,  -0.033)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
181:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
181:     electro (  3.400,  -6.130,  10.644)  (  3.400,  -6.130,  10.644)  ( 0.00,  0.00,  0.00)
181:  4       ( -0.054,   0.575,   0.361)  ( -0.045,   0.530,   0.340)  ( 0.05,  2.57,  0.74)
181:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
181:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
181:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
181:     torsion (  0.002,   0.488,   0.281)  (  0.002,   0.488,   0.281)  ( 0.00,  0.02,  0.00)
181:     oop     ( -0.000,   0.284,   0.162)  ( -0.000,   0.237,   0.135)  ( 0.00,  1.33,  0.44)
181:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (  0.018,  -0.203,  -0.165)  (  0.019,  -0.184,  -0.152)  ( 0.00,  0.39,  0.22)
181:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
181:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
181:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.003,  -0.219,  -0.125)  ( -0.003,  -0.219,  -0.125)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.099,  -0.056)  ( -0.000,  -0.081,  -0.046)  ( 0.00,  0.18,  0.06)
181:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
181:     electro (  0.996,   2.213,  -3.840)  (  0.996,   2.213,  -3.840)  ( 0.00,  0.00,  0.00)
181:  6       (  0.023,  -0.205,  -0.126)  (  0.027,  -0.191,  -0.117)  ( 0.01,  0.28,  0.10)
181:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
181:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.154,  -0.090)  (  0.001,  -0.153,  -0.090)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.093,  -0.053)  (  0.001,  -0.079,  -0.045)  ( 0.00,  0.13,  0.04)
181:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
181:     electro ( -3.378,   3.559,  -6.174)  ( -3.378,   3.559,  -6.174)  ( 0.00,  0.00,  0.00)
181:  7       (  0.008,  -0.187,   0.604)  (  0.009,  -0.184,   0.605)  ( 0.00,  0.06,  0.03)
181:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
181:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
181:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.043,  -0.004,   0.425)  (  0.043,  -0.004,   0.425)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (  0.007,  -0.431,   0.471)  (  0.008,  -0.429,   0.474)  ( 0.00,  0.05,  0.12)
181:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
181:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.044,  -0.368,   0.213)  (  0.044,  -0.368,   0.213)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (  0.179,  -0.203,   0.341)  (  0.180,  -0.202,   0.343)  ( 0.02,  0.02,  0.08)
181:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
181:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
181:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.005,   0.003)  ( -0.000,   0.005,   0.003)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 6 # gradients 
181: ok 7 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  0.431,   0.382,   0.004)  (  0.436,   0.388,   0.009)  ( 0.22,  0.23,  0.00)
181:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
181:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
181:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
181:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.279,   0.731,  -1.001)  ( -2.279,   0.731,  -1.001)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
181:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
181:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
181:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
181:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
181:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
181:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
181:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
181:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
181:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
181:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
181:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
181:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
181:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
181:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
181:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
181:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
181:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
181:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.169,  -0.110,  -0.044)  ( -0.176,  -0.088,   0.004)  ( 0.13,  0.25,  0.21)
181:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
181:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
181:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
181:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
181:     electro (  2.906,  -0.466,   1.064)  (  2.906,  -0.466,   1.064)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.035,  -0.388,   0.541)  ( -0.043,  -0.371,   0.574)  ( 0.03,  0.66,  1.76)
181:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
181:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
181:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.627,  -0.265,  -0.063)  ( -0.627,  -0.265,  -0.063)  ( 0.00,  0.00,  0.00)
181: ok 8 # gradients 
181: ok 9 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
181:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
181:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
181:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
181:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
181:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
181:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
181:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
181:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
181:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
181:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
181:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
181:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
181:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
181:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
181:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
181:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
181:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
181:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
181:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
181:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
181:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
181:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
181:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
181:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
181:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
181:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
181:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
181:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
181:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
181:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
181:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
181:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
178:     angle   (-18.853,   1.811, -13.541)  (-18.850,   1.812, -13.539)  ( 0.01,  0.09,  0.02)
178:     torsion (  8.054,   2.591,   2.121)  (  8.054,   2.591,   2.121)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.145,  -5.652,   2.385)  (  6.145,  -5.652,   2.385)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 54       (-15.234,  -2.793, -16.466)  (-15.230,  -2.789, -16.439)  ( 0.02,  0.13,  0.17)
178:     bond    (  0.489,  -0.125,  -5.592)  (  0.489,  -0.125,  -5.564)  ( 0.01,  0.00,  0.49)
178:     angle   ( -0.277,  -2.344,   0.028)  ( -0.274,  -2.342,   0.028)  ( 0.07,  0.12,  0.00)
178:     torsion (-15.165,  -2.831,  -1.270)  (-15.165,  -2.831,  -1.270)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -0.280,   2.507,  -9.633)  ( -0.280,   2.508,  -9.633)  ( 0.00,  0.02,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 55       (-35.014, -23.448, -13.773)  (-34.988, -23.444, -13.767)  ( 0.07,  0.02,  0.04)
178:     bond    (-42.421,  -3.708, -12.496)  (-42.395,  -3.708, -12.494)  ( 0.06,  0.00,  0.02)
178:     angle   (  2.620, -44.077,   4.186)  (  2.620, -44.074,   4.190)  ( 0.01,  0.01,  0.09)
178:     torsion (  1.119,   1.922,  -4.368)  (  1.119,   1.922,  -4.368)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.668,  22.415,  -1.095)  (  3.668,  22.416,  -1.095)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 56       ( -5.812, -27.433,  37.928)  ( -5.808, -27.429,  37.955)  ( 0.07,  0.02,  0.07)
178:     bond    (  0.956,   6.372,  29.517)  (  0.956,   6.373,  29.544)  ( 0.01,  0.02,  0.09)
178:     angle   (  6.708, -34.340,   7.190)  (  6.712, -34.336,   7.190)  ( 0.06,  0.01,  0.00)
178:     torsion ( -5.135,  -3.628,   0.949)  ( -5.135,  -3.628,   0.949)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -8.342,   4.162,   0.272)  ( -8.341,   4.162,   0.272)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 57       ( 24.496,  -2.483,  -6.484)  ( 24.503,  -2.464,  -6.474)  ( 0.03,  0.75,  0.15)
178:     bond    (  2.792,   5.902,  -3.640)  (  2.795,   5.919,  -3.634)  ( 0.14,  0.29,  0.18)
178:     angle   ( 24.017, -16.515,  -8.425)  ( 24.020, -16.514,  -8.422)  ( 0.01,  0.01,  0.04)
178:     torsion (  3.410,   1.056,   4.344)  (  3.410,   1.056,   4.344)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.722,   7.074,   1.237)  ( -5.722,   7.074,   1.237)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 58       ( -1.265, -41.556, -20.451)  ( -1.253, -41.537, -20.446)  ( 0.92,  0.05,  0.02)
178:     bond    ( 19.836, -27.005,  -6.315)  ( 19.845, -26.988,  -6.314)  ( 0.05,  0.06,  0.01)
178:     angle   (-27.049, -17.025, -12.251)  (-27.047, -17.024, -12.247)  ( 0.01,  0.01,  0.03)
178:     torsion (  0.947,   1.352,  -2.804)  (  0.947,   1.352,  -2.804)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.002,   1.122,   0.919)  (  5.002,   1.123,   0.919)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 59       (-12.302,  15.241, -22.467)  (-12.293,  15.260, -22.460)  ( 0.07,  0.13,  0.03)
178:     bond    (  5.921,  10.746,  -5.413)  (  5.926,  10.764,  -5.409)  ( 0.09,  0.17,  0.08)
178:     angle   (-24.933,   2.911, -21.522)  (-24.930,   2.913, -21.519)  ( 0.01,  0.05,  0.01)
178:     torsion ( -1.179,   1.820,   2.330)  ( -1.179,   1.820,   2.331)  ( 0.00,  0.00,  0.00)
178:     vdw     (  7.889,  -0.236,   2.137)  (  7.889,  -0.236,   2.137)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 60       (-22.289, -13.877,  21.831)  (-22.285, -13.872,  21.858)  ( 0.02,  0.03,  0.12)
178:     bond    ( -0.454,   2.644,  18.216)  ( -0.454,   2.645,  18.243)  ( 0.00,  0.02,  0.15)
178:     angle   (-31.660, -11.577,   0.890)  (-31.657, -11.573,   0.890)  ( 0.01,  0.03,  0.01)
178:     torsion (  0.274,  -3.709,   0.545)  (  0.274,  -3.709,   0.545)  ( 0.00,  0.00,  0.00)
178:     vdw     (  9.552,  -1.235,   2.180)  (  9.552,  -1.235,   2.180)  ( 0.00,  0.01,  0.00)
181:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
181:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
181:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
181:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
181:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
181:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 10 # gradients 
181: ok 11 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
181:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
181:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
181:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
181:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
181:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
181:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
181:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
181:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
181:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
181:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
181:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
181:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
181:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
181:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
181:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
181:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
180:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
180:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
180:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
180: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
180:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
180:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
180:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
180:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
180:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
180:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
180:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
180:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
180:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
180:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
180:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
180:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
180:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
180:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
180:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
180:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
180:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
180:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
180:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
180:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
180:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
180:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
180:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
180: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
180:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
180:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
180:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
180:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
180: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
180:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
180:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
180:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
180:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
180: ok 4 # gradients 
180: ok 5 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : fiybiy.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
180:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
180:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
180:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
180:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
180:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
180:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
180:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
180:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
180:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
180:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
180:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
180:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
180:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
180:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
180:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
180:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
180:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
180:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
180:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
180:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
180:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
180:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
180:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
180:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
180:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
180:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
180:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
180:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
180:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
180:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
180:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
180:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
180:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 61       (-39.791, -21.672,   6.376)  (-39.767, -21.666,   6.382)  ( 0.06,  0.02,  0.11)
178:     bond    (-38.512,  -9.274, -15.814)  (-38.489,  -9.273, -15.810)  ( 0.06,  0.01,  0.02)
178:     angle   ( -4.902, -31.814,  30.587)  ( -4.902, -31.810,  30.590)  ( 0.02,  0.01,  0.01)
178:     torsion ( -2.164,   5.162,   2.239)  ( -2.164,   5.162,   2.239)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.787,  14.254, -10.637)  (  5.788,  14.254, -10.637)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 62       (-51.597,  18.758,  -5.963)  (-51.591,  18.785,  -5.959)  ( 0.01,  0.15,  0.06)
178:     bond    (  3.501,  40.620,  -1.367)  (  3.501,  40.647,  -1.367)  ( 0.00,  0.07,  0.01)
178:     angle   ( 23.290,  -0.699,  38.845)  ( 23.294,  -0.699,  38.848)  ( 0.02,  0.00,  0.01)
178:     torsion (  6.343,  -0.580,  -1.005)  (  6.344,  -0.580,  -1.005)  ( 0.00,  0.00,  0.00)
178:     vdw     (-84.732, -20.583, -42.435)  (-84.729, -20.583, -42.435)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 63       ( 18.779, -14.958,  -2.598)  ( 18.794, -14.951,  -2.585)  ( 0.08,  0.05,  0.48)
178:     bond    ( 12.071,  -6.940, -10.740)  ( 12.084,  -6.936, -10.729)  ( 0.11,  0.06,  0.10)
178:     angle   (  9.842,  -9.251,  17.064)  (  9.844,  -9.248,  17.066)  ( 0.02,  0.03,  0.01)
178:     torsion ( -3.735,  -4.539,  -1.272)  ( -3.735,  -4.539,  -1.272)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.601,   5.772,  -7.650)  (  0.601,   5.772,  -7.649)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 64       ( -7.737, -18.679,  -1.345)  ( -7.710, -18.674,  -1.340)  ( 0.34,  0.03,  0.41)
178:     bond    (-31.885,  -5.119,   7.694)  (-31.859,  -5.118,   7.696)  ( 0.08,  0.01,  0.02)
178:     angle   ( -7.715, -28.179, -50.681)  ( -7.715, -28.175, -50.678)  ( 0.00,  0.01,  0.01)
178:     torsion (  1.280,  -4.540,   2.282)  (  1.280,  -4.540,   2.282)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 30.583,  19.159,  39.360)  ( 30.583,  19.159,  39.361)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 65       ( 40.384,  -7.087,  -1.162)  ( 40.395,  -7.079,  -1.145)  ( 0.03,  0.12,  1.44)
178:     bond    ( 18.276, -13.631,  25.487)  ( 18.284, -13.627,  25.503)  ( 0.04,  0.03,  0.06)
178:     angle   ( 33.298, -22.150, -35.710)  ( 33.301, -22.147, -35.709)  ( 0.01,  0.01,  0.00)
178:     torsion (  3.662,   3.773,  -0.609)  (  3.662,   3.773,  -0.609)  ( 0.00,  0.00,  0.00)
178:     vdw     (-14.851,  24.922,   9.670)  (-14.851,  24.922,   9.670)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 66       (-18.935,  17.431,  -6.491)  (-18.930,  17.458,  -6.487)  ( 0.03,  0.16,  0.06)
178:     bond    (  5.481,  39.355,   1.074)  (  5.482,  39.383,   1.074)  ( 0.01,  0.07,  0.02)
178:     angle   ( 25.175,  -2.445, -38.854)  ( 25.178,  -2.445, -38.851)  ( 0.01,  0.00,  0.01)
178:     torsion ( -4.466,   0.662,  -1.498)  ( -4.466,   0.662,  -1.498)  ( 0.00,  0.00,  0.00)
178:     vdw     (-45.125, -20.141,  32.788)  (-45.124, -20.141,  32.788)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 67       ( -2.632,  24.315,  23.802)  ( -2.628,  24.342,  23.805)  ( 0.13,  0.11,  0.02)
178:     bond    ( -2.205,  21.491,  -0.922)  ( -2.204,  21.518,  -0.922)  ( 0.01,  0.13,  0.00)
178:     angle   (  0.322,   1.460,  33.287)  (  0.325,   1.460,  33.291)  ( 0.09,  0.00,  0.01)
178:     torsion (  1.351,  -0.167,  -7.120)  (  1.351,  -0.167,  -7.120)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -2.100,   1.530,  -1.443)  ( -2.100,   1.530,  -1.443)  ( 0.01,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 68       (  8.621, -30.526,  -4.348)  (  8.627, -30.520,  -4.325)  ( 0.06,  0.02,  0.54)
178:     bond    (  3.678,  -3.681, -11.381)  (  3.681,  -3.678, -11.358)  ( 0.06,  0.06,  0.20)
180:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
180:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
180:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
180:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
180:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
180:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
180:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
180:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
180:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
180:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
180:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
180:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
180:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
180:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
180:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
180:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
180:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
180:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
180:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
180:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
180:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
180:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
180:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
180:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
180:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
180: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
180:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
180:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
180:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
180:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
180:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
180: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
180:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
180:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
180:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
180:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
180:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
180:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
180: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
178:     angle   ( 10.007, -25.098,  11.370)  ( 10.010, -25.094,  11.370)  ( 0.03,  0.01,  0.00)
178:     torsion (  1.105, -10.123,   3.636)  (  1.105, -10.123,   3.636)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.169,   8.376,  -7.973)  ( -6.168,   8.376,  -7.973)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 69       ( 19.868,  12.686,  10.166)  ( 19.877,  12.695,  10.185)  ( 0.04,  0.07,  0.19)
178:     bond    (-17.162,  19.982,  30.757)  (-17.157,  19.989,  30.773)  ( 0.03,  0.03,  0.05)
178:     angle   ( 23.074, -23.287,  27.989)  ( 23.077, -23.285,  27.991)  ( 0.01,  0.01,  0.01)
178:     torsion ( 11.543,  -4.396,   9.291)  ( 11.543,  -4.396,   9.291)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.412,  20.386, -57.871)  (  2.413,  20.387, -57.870)  ( 0.06,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 70       (  3.856,  -5.617, -23.123)  (  3.868,  -5.613, -23.104)  ( 0.31,  0.08,  0.08)
178:     bond    ( -7.666,   2.356, -10.475)  ( -7.657,   2.357, -10.457)  ( 0.12,  0.04,  0.17)
178:     angle   ( 15.864, -23.495, -16.914)  ( 15.866, -23.492, -16.913)  ( 0.01,  0.01,  0.01)
178:     torsion ( -7.048,   5.024,   6.293)  ( -7.048,   5.024,   6.293)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.706,  10.498,  -2.027)  (  2.707,  10.498,  -2.027)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 71       ( -2.147, -23.094, -11.990)  ( -2.124, -23.086, -11.983)  ( 1.06,  0.03,  0.05)
178:     bond    (-18.976,  -7.679,   6.984)  (-18.955,  -7.675,   6.987)  ( 0.11,  0.04,  0.04)
178:     angle   ( -6.130, -29.366, -48.884)  ( -6.129, -29.363, -48.881)  ( 0.02,  0.01,  0.01)
178:     torsion (  0.625,  -0.949,   0.653)  (  0.625,  -0.949,   0.653)  ( 0.00,  0.01,  0.00)
178:     vdw     ( 22.334,  14.900,  29.256)  ( 22.334,  14.900,  29.257)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 72       ( 20.627,  -9.034,   0.423)  ( 20.642,  -9.030,   0.439)  ( 0.07,  0.05,  0.69)
178:     bond    ( 18.783,  -5.397,  20.943)  ( 18.795,  -5.396,  20.958)  ( 0.06,  0.02,  0.07)
178:     angle   ( 36.607,  -6.618, -34.536)  ( 36.609,  -6.615, -34.535)  ( 0.01,  0.06,  0.00)
178:     torsion (  1.051,   1.742,  -0.494)  (  1.051,   1.742,  -0.494)  ( 0.00,  0.01,  0.00)
178:     vdw     (-35.814,   1.239,  14.510)  (-35.813,   1.239,  14.510)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 73       (-13.401,  18.857,  -7.984)  (-13.397,  18.885,  -7.980)  ( 0.04,  0.15,  0.05)
178:     bond    ( -4.324,  40.254,  -3.034)  ( -4.324,  40.282,  -3.034)  ( 0.00,  0.07,  0.00)
178:     angle   ( 25.583,  -0.124, -38.116)  ( 25.587,  -0.124, -38.112)  ( 0.01,  0.00,  0.01)
178:     torsion ( -1.041,  -0.132,  -0.271)  ( -1.040,  -0.132,  -0.271)  ( 0.02,  0.00,  0.00)
178:     vdw     (-33.620, -21.141,  33.436)  (-33.619, -21.141,  33.437)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 74       ( 37.644,  95.477, 158.215)  ( 37.658,  95.483, 158.242)  ( 0.04,  0.01,  0.02)
178:     bond    ( 96.412,  66.499, 143.448)  ( 96.424,  66.506, 143.473)  ( 0.01,  0.01,  0.02)
178:     angle   (-10.556,  -4.320,   9.095)  (-10.555,  -4.320,   9.096)  ( 0.02,  0.01,  0.01)
178:     torsion (-20.678,  40.377,  -4.819)  (-20.678,  40.377,  -4.819)  ( 0.00,  0.00,  0.00)
178:     vdw     (-27.549,  -7.301,  10.524)  (-27.548,  -7.301,  10.524)  ( 0.00,  0.00,  0.00)
178:     electro (  0.016,   0.222,  -0.032)  (  0.016,   0.222,  -0.032)  ( 0.00,  0.00,  0.00)
178: ok 22 # gradients 
178: ok 23 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (1291.687, -969.396, 620.852)  (1291.781, -969.306, 620.868)  ( 0.01,  0.01,  0.00)
178:     bond    (1151.916, -865.000, 587.078)  (1151.998, -864.921, 587.090)  ( 0.01,  0.01,  0.00)
178:     angle   (141.394, -102.369,  34.491)  (141.406, -102.358,  34.492)  ( 0.01,  0.01,  0.00)
178:     torsion (  1.153,  -0.854,  -0.677)  (  1.153,  -0.853,  -0.674)  ( 0.02,  0.04,  0.20)
178:     vdw     ( -2.776,  -1.173,  -0.040)  ( -2.776,  -1.173,  -0.040)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (298.204, 971.668, -229.992)  (298.273, 971.756, -229.978)  ( 0.02,  0.01,  0.01)
178:     bond    (395.657, 810.891, -170.088)  (395.712, 810.968, -170.079)  ( 0.01,  0.01,  0.01)
178:     angle   (-92.800, 152.605, -73.608)  (-92.786, 152.616, -73.606)  ( 0.02,  0.01,  0.00)
178:     torsion ( -3.841,   4.521,  15.987)  ( -3.840,   4.521,  15.990)  ( 0.01,  0.01,  0.02)
178:     vdw     ( -0.926,   3.157,  -2.084)  ( -0.926,   3.158,  -2.084)  ( 0.02,  0.00,  0.00)
178:     electro (  0.113,   0.494,  -0.199)  (  0.113,   0.494,  -0.199)  ( 0.00,  0.00,  0.00)
178:  3       (-504.679, 126.706, -65.120)  (-504.604, 126.804, -65.117)  ( 0.01,  0.08,  0.00)
178:     bond    (-438.510, -79.388, -48.304)  (-438.448, -79.301, -48.304)  ( 0.01,  0.11,  0.00)
178:     angle   (-64.271, 207.170, -14.900)  (-64.258, 207.181, -14.900)  ( 0.02,  0.01,  0.00)
178:     torsion ( -0.850,   2.083,  -2.639)  ( -0.850,   2.083,  -2.637)  ( 0.00,  0.00,  0.10)
178:     vdw     ( -0.986,  -2.347,   0.473)  ( -0.986,  -2.346,   0.473)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.063,  -0.812,   0.250)  ( -0.063,  -0.812,   0.250)  ( 0.00,  0.00,  0.00)
178:  4       ( 62.544, 529.216, -221.024)  ( 62.642, 529.276, -221.001)  ( 0.16,  0.01,  0.01)
178:     bond    ( 45.030, 519.764, -212.292)  ( 45.117, 519.814, -212.273)  ( 0.19,  0.01,  0.01)
178:     angle   ( 18.074,   9.875,  -5.510)  ( 18.085,   9.885,  -5.509)  ( 0.06,  0.10,  0.03)
178:     torsion (  1.294,  -0.313,  -3.148)  (  1.294,  -0.312,  -3.146)  ( 0.01,  0.02,  0.07)
178:     vdw     ( -1.854,  -0.110,  -0.074)  ( -1.854,  -0.110,  -0.074)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-22.770, 472.854, -228.617)  (-22.763, 472.872, -228.611)  ( 0.03,  0.00,  0.00)
178:     bond    ( 13.426, 481.568, -210.659)  ( 13.429, 481.586, -210.653)  ( 0.02,  0.00,  0.00)
178:     angle   (-28.169,  -1.322,  -4.817)  (-28.165,  -1.322,  -4.817)  ( 0.02,  0.00,  0.00)
178:     torsion (  2.580,  -5.856, -13.223)  (  2.580,  -5.856, -13.223)  ( 0.00,  0.00,  0.00)
178:     vdw     (-10.608,  -1.537,   0.082)  (-10.607,  -1.537,   0.082)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-928.350, -469.312,  34.230)  (-928.250, -469.218,  34.249)  ( 0.01,  0.02,  0.06)
178:     bond    (-902.944, -431.198,  18.869)  (-902.856, -431.115,  18.883)  ( 0.01,  0.02,  0.07)
178:     angle   (-25.680, -34.846,   9.724)  (-25.668, -34.835,   9.726)  ( 0.05,  0.03,  0.02)
178:     torsion ( -0.760,   1.680,   3.423)  ( -0.760,   1.680,   3.427)  ( 0.00,  0.02,  0.11)
178:     vdw     (  1.033,  -4.949,   2.213)  (  1.033,  -4.948,   2.213)  ( 0.03,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-549.758, 286.552, -158.102)  (-549.658, 286.644, -158.084)  ( 0.02,  0.03,  0.01)
178:     bond    (-597.550, 340.749, -188.434)  (-597.463, 340.828, -188.421)  ( 0.01,  0.02,  0.01)
178:     angle   ( 49.931, -59.660,  27.577)  ( 49.943, -59.648,  27.578)  ( 0.02,  0.02,  0.01)
178:     torsion ( -0.865,   0.514,   3.821)  ( -0.865,   0.514,   3.825)  ( 0.00,  0.02,  0.09)
178:     vdw     ( -1.273,   4.949,  -1.066)  ( -1.273,   4.949,  -1.066)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-34.667,  32.173,  -9.961)  (-34.567,  32.238,  -9.950)  ( 0.29,  0.20,  0.12)
178:     bond    (-46.132, -26.291,   2.900)  (-46.046, -26.238,   2.907)  ( 0.19,  0.20,  0.24)
178:     angle   (  9.004,  61.588, -19.522)  (  9.017,  61.600, -19.521)  ( 0.14,  0.02,  0.01)
178:     torsion ( -0.650,   1.553,   4.817)  ( -0.650,   1.553,   4.820)  ( 0.00,  0.02,  0.06)
178:     vdw     (  2.823,  -4.536,   1.777)  (  2.823,  -4.536,   1.777)  ( 0.00,  0.00,  0.00)
178:     electro (  0.289,  -0.142,   0.068)  (  0.289,  -0.142,   0.068)  ( 0.00,  0.00,  0.00)
178:  9       (334.527, 813.316, -260.363)  (334.621, 813.379, -260.342)  ( 0.03,  0.01,  0.01)
178:     bond    (341.270, 863.401, -379.423)  (341.355, 863.451, -379.407)  ( 0.02,  0.01,  0.00)
178:     angle   ( -9.599, -45.337, 140.803)  ( -9.591, -45.324, 140.807)  ( 0.09,  0.03,  0.00)
178:     torsion (  3.306,  -5.368, -20.899)  (  3.306,  -5.367, -20.897)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.449,   0.620,  -0.845)  ( -0.449,   0.620,  -0.845)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       ( 50.138, -59.673,  18.059)  ( 50.240, -59.609,  18.073)  ( 0.20,  0.11,  0.08)
178:     bond    ( 48.676, -141.413,  55.636)  ( 48.765, -141.363,  55.645)  ( 0.18,  0.04,  0.02)
178:     angle   (  3.823,  83.323, -28.467)  (  3.835,  83.336, -28.465)  ( 0.32,  0.02,  0.01)
178:     torsion (  0.572,  -1.857,  -4.267)  (  0.572,  -1.856,  -4.265)  ( 0.00,  0.02,  0.07)
178:     vdw     ( -2.723,   0.223,  -4.741)  ( -2.723,   0.223,  -4.740)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.209,   0.051,  -0.103)  ( -0.209,   0.051,  -0.103)  ( 0.00,  0.00,  0.00)
178: 11       (-392.354,  12.929, -110.427)  (-392.268,  13.023, -110.411)  ( 0.02,  0.73,  0.02)
178:     bond    (-182.246, -41.558, -12.366)  (-182.180, -41.484, -12.356)  ( 0.04,  0.18,  0.09)
178:     angle   (-211.321,  57.327, -98.054)  (-211.301,  57.348, -98.050)  ( 0.01,  0.04,  0.00)
178:     torsion (  1.783,  -2.219,   2.344)  (  1.783,  -2.219,   2.347)  ( 0.00,  0.01,  0.11)
178:     vdw     ( -0.570,  -0.621,  -2.351)  ( -0.570,  -0.621,  -2.351)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-21.184, -22.404,  -4.521)  (-21.177, -22.378,  -4.516)  ( 0.03,  0.11,  0.10)
178:     bond    ( -0.630, -11.847,   4.471)  ( -0.630, -11.822,   4.474)  ( 0.01,  0.21,  0.08)
178:     angle   (-18.792,   0.237,  -2.020)  (-18.786,   0.237,  -2.020)  ( 0.03,  0.00,  0.01)
178:     torsion ( -0.802,   2.323,   6.024)  ( -0.802,   2.323,   6.025)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.842, -12.514, -13.245)  ( -0.841, -12.513, -13.245)  ( 0.07,  0.00,  0.00)
178:     electro ( -0.117,  -0.603,   0.249)  ( -0.117,  -0.603,   0.249)  ( 0.00,  0.00,  0.00)
178: 13       (209.974,  32.014,  22.390)  (210.050,  32.098,  22.401)  ( 0.04,  0.26,  0.05)
178:     bond    ( 81.425, 122.507, -29.385)  ( 81.485, 122.580, -29.377)  ( 0.07,  0.06,  0.03)
178:     angle   (130.006, -87.869,  44.052)  (130.023, -87.857,  44.053)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.675,   1.611,   4.879)  ( -0.675,   1.612,   4.882)  ( 0.00,  0.02,  0.05)
178:     vdw     ( -0.783,  -4.237,   2.844)  ( -0.783,  -4.237,   2.844)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (-10.127,  14.003,  -6.537)  (-10.121,  14.029,  -6.533)  ( 0.06,  0.19,  0.06)
178:     bond    (  0.208,  14.769,  -4.898)  (  0.208,  14.795,  -4.895)  ( 0.00,  0.18,  0.06)
178:     angle   (-19.794,  -0.500,  -2.352)  (-19.788,  -0.500,  -2.352)  ( 0.03,  0.00,  0.00)
178:     torsion (  0.019,  -0.049,  -0.149)  (  0.019,  -0.049,  -0.148)  ( 0.00,  0.00,  0.01)
178:     vdw     (  9.632,  -0.733,   1.059)  (  9.632,  -0.733,   1.059)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.192,   0.517,  -0.197)  ( -0.192,   0.517,  -0.197)  ( 0.00,  0.00,  0.00)
178: 15       (-36.479,  39.621, -17.440)  (-36.462,  39.631, -17.437)  ( 0.05,  0.02,  0.01)
178:     bond    (-39.986,  24.828, -13.708)  (-39.972,  24.834, -13.706)  ( 0.03,  0.02,  0.01)
178:     angle   ( 30.703,  43.547, -10.639)  ( 30.705,  43.551, -10.639)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.156,  -0.381,  -1.147)  (  0.156,  -0.381,  -1.146)  ( 0.00,  0.00,  0.04)
178:     vdw     (-27.352, -28.373,   8.054)  (-27.352, -28.372,   8.054)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( 52.310, -52.160, 139.358)  ( 52.367, -52.107, 139.378)  ( 0.11,  0.10,  0.01)
178:     bond    ( 68.278,  40.654,  58.158)  ( 68.324,  40.691,  58.170)  ( 0.07,  0.09,  0.02)
178:     angle   (-14.590, -95.896,  93.389)  (-14.578, -95.881,  93.396)  ( 0.08,  0.02,  0.01)
178:     torsion ( -1.966,   4.760, -13.239)  ( -1.966,   4.761, -13.238)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.587,  -1.677,   1.050)  (  0.587,  -1.677,   1.050)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       (164.485, -1750.099, 359.852)  (164.514, -1750.044, 359.905)  ( 0.02,  0.00,  0.01)
178:     bond    ( 87.415, -1695.554, 508.596)  ( 87.436, -1695.507, 508.638)  ( 0.02,  0.00,  0.01)
178:     angle   ( 80.485, -54.139, -148.780)  ( 80.492, -54.130, -148.770)  ( 0.01,  0.02,  0.01)
178:     torsion (  1.700,  -7.304,   2.419)  (  1.699,  -7.304,   2.419)  ( 0.04,  0.00,  0.00)
178:     vdw     ( -5.114,   6.898,  -2.383)  ( -5.113,   6.898,  -2.383)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (-28.502, -72.471,  13.320)  (-28.482, -72.459,  13.325)  ( 0.07,  0.02,  0.04)
178:     bond    ( 14.638,  -9.522,   7.122)  ( 14.656,  -9.515,   7.126)  ( 0.12,  0.08,  0.06)
178:     angle   (-45.669, -63.224,   9.506)  (-45.667, -63.221,   9.506)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.598,   0.771,   2.258)  ( -0.598,   0.771,   2.258)  ( 0.00,  0.01,  0.02)
178:     vdw     (  4.797,   1.730,  -6.454)  (  4.797,   1.731,  -6.454)  ( 0.01,  0.04,  0.00)
178:     electro ( -1.671,  -2.225,   0.889)  ( -1.671,  -2.225,   0.889)  ( 0.00,  0.00,  0.00)
178: 19       (114.823, -41.665, -42.781)  (114.872, -41.615, -42.731)  ( 0.04,  0.12,  0.12)
178:     bond    ( 46.006, -62.726, -75.264)  ( 46.042, -62.686, -75.226)  ( 0.08,  0.06,  0.05)
178:     angle   ( 71.528,  17.445,  24.719)  ( 71.541,  17.454,  24.730)  ( 0.02,  0.05,  0.04)
178:     torsion ( -0.887,  -0.092,   4.539)  ( -0.886,  -0.091,   4.539)  ( 0.02,  0.00,  0.01)
178:     vdw     ( -1.826,   3.708,   3.226)  ( -1.825,   3.709,   3.226)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (  0.359,  94.777,   7.548)  (  0.409,  94.829,   7.594)  ( 1.80,  0.06,  0.61)
178:     bond    (-39.306,  77.507,  -9.832)  (-39.267,  77.545,  -9.795)  ( 0.10,  0.05,  0.38)
178:     angle   ( 29.541,  14.158,  21.655)  ( 29.551,  14.172,  21.664)  ( 0.03,  0.10,  0.04)
178:     torsion (  0.559,  -2.282,   2.657)  (  0.560,  -2.282,   2.658)  ( 0.01,  0.02,  0.02)
178:     vdw     (  9.565,   5.394,  -6.932)  (  9.566,   5.394,  -6.932)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (-15.626,   9.796,  -8.493)  (-15.606,   9.807,  -8.489)  ( 0.13,  0.11,  0.05)
178:     bond    (-18.997,  12.730,  -1.669)  (-18.978,  12.738,  -1.669)  ( 0.10,  0.07,  0.00)
178:     angle   ( -9.429, -17.517, -26.477)  ( -9.428, -17.515, -26.473)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.444,   0.852,   1.457)  (  0.444,   0.852,   1.457)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 12.356,  13.731,  18.195)  ( 12.357,  13.731,  18.196)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       ( 16.790, -14.975,   7.995)  ( 16.794, -14.970,   8.021)  ( 0.02,  0.04,  0.32)
178:     bond    (  0.839,  -3.049,   9.710)  (  0.839,  -3.047,   9.735)  ( 0.01,  0.08,  0.26)
178:     angle   ( 17.920, -10.218,  -4.742)  ( 17.923, -10.215,  -4.741)  ( 0.02,  0.03,  0.01)
178:     torsion (  1.554,  -3.125,  -1.112)  (  1.554,  -3.125,  -1.112)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -3.522,   1.417,   4.139)  ( -3.522,   1.417,   4.139)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( -3.383,  26.547,  -7.292)  ( -3.331,  26.599,  -7.247)  ( 1.52,  0.19,  0.62)
178:     bond    ( -5.729, -62.233,   5.658)  ( -5.688, -62.197,   5.694)  ( 0.72,  0.06,  0.64)
178:     angle   (  3.696,  79.918, -15.987)  (  3.706,  79.932, -15.979)  ( 0.27,  0.02,  0.05)
178:     torsion (  0.547,   3.703,   0.318)  (  0.547,   3.703,   0.319)  ( 0.01,  0.01,  0.02)
178:     vdw     ( -1.897,   5.160,   2.720)  ( -1.897,   5.160,   2.720)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       ( -8.564, -14.110, -19.019)  ( -8.561, -14.092, -19.005)  ( 0.04,  0.12,  0.08)
178:     bond    ( -0.478, -14.334, -12.772)  ( -0.478, -14.319, -12.760)  ( 0.00,  0.11,  0.10)
178:     angle   (-14.163,   1.214,  -0.836)  (-14.161,   1.216,  -0.834)  ( 0.02,  0.13,  0.17)
178:     torsion (  1.364,  -0.748,   0.788)  (  1.364,  -0.748,   0.788)  ( 0.01,  0.01,  0.01)
178:     vdw     (  4.712,  -0.241,  -6.199)  (  4.712,  -0.241,  -6.199)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( 15.923,   6.709, -14.172)  ( 15.972,   6.759, -14.123)  ( 0.30,  0.75,  0.35)
178:     bond    (-43.493,  18.715,  43.123)  (-43.457,  18.755,  43.161)  ( 0.08,  0.21,  0.09)
178:     angle   ( 52.144,  -7.332, -54.175)  ( 52.156,  -7.322, -54.164)  ( 0.02,  0.13,  0.02)
178:     torsion (  3.258,  -0.518,  -1.719)  (  3.259,  -0.518,  -1.718)  ( 0.01,  0.01,  0.03)
178:     vdw     (  4.014,  -4.156,  -1.402)  (  4.014,  -4.156,  -1.402)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  8.967,  13.422,  21.262)  (  8.971,  13.430,  21.286)  ( 0.05,  0.06,  0.11)
178:     bond    (  2.558,  -5.615,  13.404)  (  2.558,  -5.611,  13.427)  ( 0.03,  0.07,  0.17)
178:     angle   (-11.664,   4.967,   4.298)  (-11.661,   4.970,   4.299)  ( 0.02,  0.06,  0.02)
178:     torsion ( -1.780,   1.821,   1.100)  ( -1.780,   1.821,   1.100)  ( 0.00,  0.01,  0.00)
178:     vdw     ( 19.854,  12.250,   2.460)  ( 19.854,  12.250,   2.460)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (-323.145, -271.799, 112.451)  (-323.099, -271.749, 112.477)  ( 0.01,  0.02,  0.02)
178:     bond    (-277.510, -232.743, 103.218)  (-277.472, -232.705, 103.231)  ( 0.01,  0.02,  0.01)
178:     angle   (-42.969, -37.089,   8.185)  (-42.962, -37.077,   8.196)  ( 0.02,  0.03,  0.14)
178:     torsion ( -3.196,  -2.651,   1.412)  ( -3.196,  -2.651,   1.412)  ( 0.00,  0.01,  0.03)
178:     vdw     (  0.465,   0.546,  -0.326)  (  0.465,   0.546,  -0.326)  ( 0.00,  0.00,  0.00)
178:     electro (  0.066,   0.137,  -0.038)  (  0.066,   0.137,  -0.038)  ( 0.00,  0.00,  0.00)
178: 28       ( -9.937, -12.237, -27.175)  ( -9.933, -12.229, -27.152)  ( 0.04,  0.06,  0.09)
178:     bond    ( -2.224,   5.760, -12.961)  ( -2.224,   5.765, -12.939)  ( 0.03,  0.08,  0.17)
178:     angle   ( -1.338, -21.273,  -9.248)  ( -1.335, -21.270,  -9.247)  ( 0.21,  0.01,  0.01)
178:     torsion (  0.876,  -5.005,  -2.380)  (  0.876,  -5.005,  -2.380)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -7.251,   8.281,  -2.586)  ( -7.251,   8.281,  -2.586)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       (  1.693,  12.470,  31.606)  (  1.696,  12.488,  31.620)  ( 0.18,  0.14,  0.04)
178:     bond    (  1.386,  19.430,  16.782)  (  1.386,  19.446,  16.793)  ( 0.00,  0.08,  0.07)
178:     angle   (  0.745, -13.698,  15.796)  (  0.748, -13.697,  15.798)  ( 0.22,  0.01,  0.01)
178:     torsion ( -0.853,   1.947,  -2.184)  ( -0.853,   1.947,  -2.184)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.415,   4.792,   1.212)  (  0.416,   4.792,   1.212)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( 21.804, -19.915,  15.948)  ( 21.825, -19.906,  15.952)  ( 0.10,  0.05,  0.02)
178:     bond    ( 21.630, -12.881,   1.409)  ( 21.650, -12.874,   1.409)  ( 0.09,  0.06,  0.00)
178:     angle   ( -4.510,  -5.515,  18.908)  ( -4.509,  -5.513,  18.912)  ( 0.02,  0.04,  0.02)
178:     torsion (  0.258,   0.167,  -2.434)  (  0.258,   0.167,  -2.434)  ( 0.00,  0.00,  0.01)
178:     vdw     (  4.426,  -1.686,  -1.936)  (  4.427,  -1.686,  -1.936)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
180:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
180:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
180:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
180:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
180:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
180: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
180:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
180:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
180:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
180:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
180:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
180: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
180:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
180:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
180:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
180:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
180:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
180: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
180:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
180:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
180:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
180:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
180:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
180:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
180:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
180:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
180:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
180: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
180:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
180:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
180:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
180:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
178: 31       (-24.628,   9.539, -16.258)  (-24.624,   9.545, -16.233)  ( 0.02,  0.06,  0.16)
178:     bond    ( -1.471,   4.253, -13.478)  ( -1.471,   4.256, -13.453)  ( 0.02,  0.06,  0.18)
178:     angle   (-21.315,   8.697,   5.082)  (-21.311,   8.700,   5.082)  ( 0.02,  0.03,  0.01)
178:     torsion ( -3.798,   2.727,   1.278)  ( -3.798,   2.727,   1.278)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.957,  -6.137,  -9.140)  (  1.957,  -6.137,  -9.140)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       (267.216, 221.662, -108.445)  (267.232, 221.677, -108.439)  ( 0.01,  0.01,  0.01)
178:     bond    (250.100, 215.399, -125.960)  (250.113, 215.408, -125.958)  ( 0.01,  0.00,  0.00)
178:     angle   (  2.594,   1.539,   7.794)  (  2.597,   1.544,   7.797)  ( 0.10,  0.32,  0.04)
178:     torsion (  2.306,  -0.267,   4.123)  (  2.306,  -0.267,   4.123)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 12.243,   5.078,   5.570)  ( 12.244,   5.078,   5.571)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.028,  -0.087,   0.029)  ( -0.028,  -0.087,   0.029)  ( 0.00,  0.00,  0.00)
178: 33       ( 94.657, -75.303,  31.434)  ( 94.664, -75.239,  31.434)  ( 0.01,  0.09,  0.00)
178:     bond    ( -6.861, -41.473,   0.804)  ( -6.859, -41.410,   0.804)  ( 0.02,  0.15,  0.01)
178:     angle   ( 79.707, -13.015,   9.723)  ( 79.711, -13.015,   9.723)  ( 0.01,  0.00,  0.00)
178:     torsion ( -2.073,   0.690,  17.856)  ( -2.073,   0.690,  17.856)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 26.743, -24.254,   3.560)  ( 26.743, -24.253,   3.560)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.859,   2.749,  -0.509)  ( -2.859,   2.749,  -0.509)  ( 0.00,  0.00,  0.00)
178: 34       (-162.925, -385.483,   0.508)  (-162.878, -385.447,   0.513)  ( 0.03,  0.01,  0.25)
178:     bond    (-118.840, -234.811,   0.749)  (-118.797, -234.783,   0.751)  ( 0.04,  0.01,  0.17)
178:     angle   (-31.194, -139.586,   3.796)  (-31.192, -139.579,   3.796)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.858,  -0.272,  -6.868)  (  0.858,  -0.272,  -6.867)  ( 0.00,  0.00,  0.03)
178:     vdw     (-15.468, -14.017,   4.082)  (-15.468, -14.017,   4.082)  ( 0.00,  0.00,  0.00)
178:     electro (  1.719,   3.204,  -1.249)  (  1.719,   3.204,  -1.249)  ( 0.00,  0.00,  0.00)
178: 35       (142.773, 236.088,  -1.496)  (142.802, 236.107,  -1.493)  ( 0.02,  0.01,  0.17)
178:     bond    (206.434, 163.892,  13.017)  (206.460, 163.909,  13.018)  ( 0.01,  0.01,  0.01)
178:     angle   (-39.945,  50.897,  -7.365)  (-39.944,  50.898,  -7.365)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.431,  -0.230,  -3.930)  (  0.431,  -0.230,  -3.929)  ( 0.00,  0.00,  0.03)
178:     vdw     (-27.097,  24.813,  -4.027)  (-27.097,  24.813,  -4.027)  ( 0.00,  0.00,  0.00)
178:     electro (  2.951,  -3.283,   0.810)  (  2.951,  -3.283,   0.810)  ( 0.00,  0.00,  0.00)
178: 36       (-348.144,  45.726, -15.226)  (-348.081,  45.755, -15.186)  ( 0.02,  0.06,  0.26)
178:     bond    (-239.050,  39.747, -32.741)  (-238.998,  39.769, -32.711)  ( 0.02,  0.06,  0.09)
178:     angle   (-98.891,  -1.257,  19.357)  (-98.879,  -1.249,  19.367)  ( 0.01,  0.59,  0.05)
178:     torsion (-12.409,   2.698,  -2.484)  (-12.409,   2.697,  -2.484)  ( 0.00,  0.03,  0.02)
178:     vdw     (  2.205,   4.537,   0.642)  (  2.205,   4.537,   0.642)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 37       (260.970, 137.842, 191.207)  (261.009, 137.882, 191.260)  ( 0.02,  0.03,  0.03)
178:     bond    (191.217, 106.275, 118.659)  (191.249, 106.307, 118.700)  ( 0.02,  0.03,  0.03)
178:     angle   ( 64.540,  22.288,  66.066)  ( 64.548,  22.296,  66.078)  ( 0.01,  0.04,  0.02)
178:     torsion (  9.181,   7.136,   5.651)  (  9.180,   7.135,   5.651)  ( 0.01,  0.01,  0.00)
178:     vdw     ( -3.968,   2.143,   0.831)  ( -3.968,   2.143,   0.831)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 38       ( 16.136,  59.317, -86.231)  ( 16.143,  59.328, -86.216)  ( 0.04,  0.02,  0.02)
178:     bond    (-31.265,  54.954, -64.675)  (-31.262,  54.964, -64.661)  ( 0.01,  0.02,  0.02)
180:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
180:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
180: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
180:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
180:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
180: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
180:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
180:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
180:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
180:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
180: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
180:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
180:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
180:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
180:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
180:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
180:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
180: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
180:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
180:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
180:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
180:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
180:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
180:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
180:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
178:     angle   ( 44.812,   3.736, -18.493)  ( 44.817,   3.737, -18.492)  ( 0.01,  0.02,  0.01)
178:     torsion (  6.391,  -0.139,  -3.207)  (  6.390,  -0.139,  -3.208)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -3.801,   0.766,   0.144)  ( -3.801,   0.766,   0.144)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 39       (-24.158, -54.978,  89.296)  (-24.143, -54.974,  89.310)  ( 0.06,  0.01,  0.02)
178:     bond    (-61.767, -23.258,  61.775)  (-61.754, -23.257,  61.787)  ( 0.02,  0.01,  0.02)
178:     angle   ( 34.251, -33.220,  21.730)  ( 34.254, -33.218,  21.732)  ( 0.01,  0.01,  0.01)
178:     torsion (  5.676,  -2.819,   4.611)  (  5.675,  -2.819,   4.611)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.318,   4.320,   1.179)  ( -2.318,   4.320,   1.179)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 40       ( 26.973,  60.878, -82.459)  ( 26.982,  60.894, -82.450)  ( 0.03,  0.03,  0.01)
178:     bond    ( 49.149,  67.374, -37.914)  ( 49.157,  67.388, -37.910)  ( 0.02,  0.02,  0.01)
178:     angle   (-22.261,  -6.635, -40.663)  (-22.260,  -6.635, -40.658)  ( 0.01,  0.01,  0.01)
178:     torsion ( -2.626,  -1.535,  -6.134)  ( -2.626,  -1.535,  -6.134)  ( 0.01,  0.01,  0.00)
178:     vdw     (  2.712,   1.675,   2.252)  (  2.712,   1.675,   2.252)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 41       (-17.184, -55.174,  88.068)  (-17.181, -55.171,  88.094)  ( 0.02,  0.01,  0.03)
178:     bond    ( 16.566, -13.316,  86.606)  ( 16.566, -13.315,  86.633)  ( 0.00,  0.00,  0.03)
178:     angle   (-30.264, -36.708,   0.145)  (-30.261, -36.704,   0.145)  ( 0.01,  0.01,  0.00)
178:     torsion ( -6.068,  -5.375,   0.334)  ( -6.068,  -5.375,   0.334)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.582,   0.224,   0.982)  (  2.582,   0.224,   0.982)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 42       ( 11.928,  73.660, -65.040)  ( 11.931,  73.665, -65.015)  ( 0.03,  0.01,  0.04)
178:     bond    ( 19.792,   1.676, -61.552)  ( 19.794,   1.675, -61.526)  ( 0.01,  0.02,  0.04)
178:     angle   ( -6.567,  67.409,  -0.277)  ( -6.566,  67.413,  -0.277)  ( 0.01,  0.01,  0.00)
178:     torsion ( -1.571,   7.699,  -0.296)  ( -1.572,   7.699,  -0.296)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.274,  -3.123,  -2.916)  (  0.275,  -3.123,  -2.916)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 24 # gradients 
178: ok 25 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (473.590, -2725.065, -91.006)  (473.669, -2725.008, -90.997)  ( 0.02,  0.00,  0.01)
178:     bond    (570.063, -2587.592, -73.527)  (570.134, -2587.549, -73.519)  ( 0.01,  0.00,  0.01)
178:     angle   (-97.632, -137.351, -17.200)  (-97.625, -137.337, -17.201)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.039,   0.013,  -0.294)  (  0.039,   0.013,  -0.293)  ( 0.00,  0.00,  0.05)
178:     vdw     (  1.094,  -0.150,   0.082)  (  1.094,  -0.150,   0.082)  ( 0.00,  0.00,  0.00)
178:     electro (  0.027,   0.016,  -0.067)  (  0.027,   0.016,  -0.067)  ( 0.00,  0.00,  0.00)
178:  2       (456.237, -40.002,  47.232)  (456.330, -39.924,  47.237)  ( 0.02,  0.19,  0.01)
178:     bond    (484.272, -90.146,  51.927)  (484.352, -90.080,  51.929)  ( 0.02,  0.07,  0.00)
178:     angle   (-27.516,  51.039,  -0.309)  (-27.503,  51.050,  -0.309)  ( 0.05,  0.02,  0.01)
178:     torsion (  0.507,   0.271,  -4.293)  (  0.507,   0.271,  -4.290)  ( 0.00,  0.00,  0.07)
178:     vdw     ( -1.088,  -1.174,   0.018)  ( -1.088,  -1.174,   0.018)  ( 0.01,  0.00,  0.00)
178:     electro (  0.062,   0.008,  -0.111)  (  0.062,   0.008,  -0.111)  ( 0.00,  0.00,  0.00)
178:  3       (-439.682, 272.667, -20.145)  (-439.604, 272.755, -20.140)  ( 0.02,  0.03,  0.03)
178:     bond    (-434.344, 334.129, -31.017)  (-434.277, 334.205, -31.016)  ( 0.02,  0.02,  0.00)
180:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
180:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
180:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
180:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
180:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
180:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
180:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
180:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
180:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: ok 6 # gradients 
180: ok 7 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : fizgok.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
178:     angle   (  0.578, -64.603,  -4.985)  (  0.589, -64.592,  -4.984)  ( 0.64,  0.02,  0.03)
178:     torsion ( -1.894,  -0.881,  16.709)  ( -1.894,  -0.881,  16.711)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -4.022,   4.022,  -0.852)  ( -4.022,   4.022,  -0.852)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-2540.305, -769.727, -316.047)  (-2540.258, -769.642, -316.037)  ( 0.00,  0.01,  0.00)
178:     bond    (-2564.733, -676.690, -321.730)  (-2564.698, -676.613, -321.723)  ( 0.00,  0.01,  0.00)
178:     angle   ( 27.297, -91.996,  12.159)  ( 27.308, -91.988,  12.161)  ( 0.04,  0.01,  0.01)
178:     torsion ( -0.005,  -0.273,  -6.256)  ( -0.005,  -0.273,  -6.254)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -2.864,  -0.768,  -0.221)  ( -2.864,  -0.768,  -0.220)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (152.615,  23.670, -20.267)  (152.663,  23.722, -20.222)  ( 0.03,  0.22,  0.22)
178:     bond    (210.345, -55.349, -26.984)  (210.383, -55.310, -26.947)  ( 0.02,  0.07,  0.14)
178:     angle   (-50.047,  74.481,  16.185)  (-50.037,  74.494,  16.193)  ( 0.02,  0.02,  0.05)
178:     torsion (  0.131,   0.423,  -7.331)  (  0.131,   0.424,  -7.330)  ( 0.00,  0.01,  0.01)
178:     vdw     ( -7.814,   4.115,  -2.137)  ( -7.814,   4.115,  -2.137)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (1785.590, 3194.715, 371.046)  (1785.622, 3194.747, 371.062)  ( 0.00,  0.00,  0.00)
178:     bond    (1706.986, 3075.895, 357.608)  (1707.015, 3075.923, 357.623)  ( 0.00,  0.00,  0.00)
178:     angle   ( 78.219, 118.734,  12.897)  ( 78.222, 118.737,  12.898)  ( 0.00,  0.00,  0.01)
178:     torsion ( -0.042,  -0.079,   0.498)  ( -0.042,  -0.079,   0.498)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.426,   0.166,   0.043)  (  0.426,   0.166,   0.043)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       ( 79.851,  46.237,  75.880)  ( 79.900,  46.286,  75.900)  ( 0.06,  0.11,  0.03)
178:     bond    ( 96.990,  49.734, 133.186)  ( 97.033,  49.778, 133.199)  ( 0.04,  0.09,  0.01)
178:     angle   (-23.803,   0.498, -50.811)  (-23.797,   0.504, -50.804)  ( 0.03,  0.28,  0.01)
178:     torsion (  3.659,  -4.370,  -7.003)  (  3.659,  -4.370,  -7.002)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.005,   0.375,   0.507)  (  3.005,   0.375,   0.507)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (  1.028,  17.661, -26.397)  (  1.031,  17.684, -26.388)  ( 0.33,  0.13,  0.03)
178:     bond    (  0.649,  28.028, -13.838)  (  0.649,  28.050, -13.832)  ( 0.01,  0.08,  0.04)
178:     angle   ( 18.498, -10.591, -20.611)  ( 18.501, -10.590, -20.608)  ( 0.02,  0.01,  0.01)
178:     torsion (  0.531,   0.253,   0.537)  (  0.531,   0.253,   0.537)  ( 0.00,  0.00,  0.00)
178:     vdw     (-18.650,  -0.029,   7.514)  (-18.650,  -0.029,   7.514)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       ( -3.258, -11.551,  14.666)  ( -3.254, -11.547,  14.693)  ( 0.11,  0.04,  0.18)
178:     bond    (  1.501,   1.340,   9.477)  (  1.502,   1.341,   9.504)  ( 0.04,  0.04,  0.28)
178:     angle   ( 10.124, -22.656,   1.596)  ( 10.127, -22.652,   1.596)  ( 0.03,  0.02,  0.01)
178:     torsion ( -0.444,  -0.586,   0.153)  ( -0.444,  -0.586,   0.153)  ( 0.00,  0.00,  0.00)
178:     vdw     (-14.439,  10.351,   3.440)  (-14.439,  10.351,   3.440)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (  8.999,  23.828,  -9.746)  (  9.046,  23.880,  -9.699)  ( 0.52,  0.22,  0.48)
178:     bond    (-48.888, 105.451, -60.397)  (-48.852, 105.493, -60.360)  ( 0.07,  0.04,  0.06)
178:     angle   ( 51.506, -71.132,  52.476)  ( 51.518, -71.122,  52.486)  ( 0.02,  0.01,  0.02)
178:     torsion (  2.888,  -2.402,  -0.834)  (  2.888,  -2.402,  -0.834)  ( 0.01,  0.01,  0.03)
178:     vdw     (  3.492,  -8.089,  -0.991)  (  3.493,  -8.089,  -0.991)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (168.618, -73.192,  -8.367)  (168.664, -73.142,  -8.323)  ( 0.03,  0.07,  0.52)
178:     bond    (174.455, -73.803,  12.300)  (174.491, -73.766,  12.336)  ( 0.02,  0.05,  0.29)
178:     angle   ( -5.169,   2.391, -28.800)  ( -5.158,   2.404, -28.792)  ( 0.20,  0.57,  0.03)
178:     torsion ( -1.039,  -0.893,   8.375)  ( -1.039,  -0.893,   8.376)  ( 0.01,  0.02,  0.00)
178:     vdw     (  0.371,  -0.887,  -0.242)  (  0.371,  -0.887,  -0.242)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       ( 29.009,  -1.837, -22.246)  ( 29.025,  -1.824, -22.240)  ( 0.06,  0.69,  0.03)
178:     bond    ( 19.172, -16.718,  -8.157)  ( 19.186, -16.707,  -8.155)  ( 0.07,  0.06,  0.03)
178:     angle   ( 12.531,  27.144, -26.134)  ( 12.533,  27.146, -26.130)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.871,  -4.448,   7.065)  ( -0.871,  -4.448,   7.065)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.823,  -7.815,   4.980)  ( -1.822,  -7.815,   4.980)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (-18.591,  20.067,  11.603)  (-18.588,  20.071,  11.630)  ( 0.02,  0.02,  0.24)
178:     bond    (  0.549,   0.488,   6.488)  (  0.549,   0.488,   6.515)  ( 0.01,  0.01,  0.42)
178:     angle   (-20.628,  20.227,   0.222)  (-20.625,  20.230,   0.222)  ( 0.02,  0.02,  0.00)
178:     torsion ( -3.898,   9.473,  -0.381)  ( -3.898,   9.473,  -0.381)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.386, -10.121,   5.274)  (  5.386, -10.120,   5.274)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       ( -4.732,  12.031, -27.864)  ( -4.729,  12.039, -27.840)  ( 0.06,  0.06,  0.08)
178:     bond    (  1.186,  -7.219, -16.041)  (  1.186,  -7.214, -16.018)  ( 0.00,  0.06,  0.14)
178:     angle   (  3.461,  11.430,  -4.894)  (  3.464,  11.433,  -4.893)  ( 0.08,  0.03,  0.01)
178:     torsion ( -3.441,   8.521,  -4.093)  ( -3.441,   8.521,  -4.093)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.938,  -0.701,  -2.837)  ( -5.938,  -0.701,  -2.837)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (-13.698, -11.039,  21.550)  (-13.694, -11.022,  21.564)  ( 0.03,  0.15,  0.06)
178:     bond    ( -4.106, -16.342,  14.622)  ( -4.105, -16.327,  14.634)  ( 0.02,  0.09,  0.08)
178:     angle   ( -9.290,  14.645,  13.733)  ( -9.287,  14.646,  13.736)  ( 0.03,  0.01,  0.02)
178:     torsion (  4.719,  -6.094,  -5.475)  (  4.719,  -6.094,  -5.475)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.020,  -3.247,  -1.330)  ( -5.020,  -3.247,  -1.330)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (  1.863,  81.697,   5.197)  (  1.890,  81.704,   5.198)  ( 1.45,  0.01,  0.01)
178:     bond    (-16.753,   4.379,  -1.879)  (-16.726,   4.381,  -1.879)  ( 0.16,  0.04,  0.01)
178:     angle   ( 19.859,  78.705,   6.738)  ( 19.860,  78.711,   6.738)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.066,  -0.028,   0.522)  ( -0.066,  -0.028,   0.523)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -0.387,  -0.730,  -0.098)  ( -0.387,  -0.730,  -0.098)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.790,  -0.630,  -0.086)  ( -0.790,  -0.630,  -0.086)  ( 0.00,  0.00,  0.00)
178: 17       ( 16.835,   7.907,   3.018)  ( 16.841,   7.936,   3.018)  ( 0.03,  0.36,  0.02)
178:     bond    ( -0.453,   5.351,   0.238)  ( -0.453,   5.379,   0.238)  ( 0.01,  0.54,  0.00)
178:     angle   ( 16.859,   1.351,   1.571)  ( 16.865,   1.351,   1.571)  ( 0.03,  0.00,  0.01)
178:     torsion ( -0.089,  -0.042,   0.787)  ( -0.089,  -0.042,   0.788)  ( 0.00,  0.00,  0.06)
178:     vdw     ( -0.202,   0.587,   0.186)  ( -0.202,   0.587,   0.186)  ( 0.00,  0.00,  0.00)
178:     electro (  0.721,   0.661,   0.236)  (  0.721,   0.661,   0.236)  ( 0.00,  0.00,  0.00)
178: 18       (-99.292, 244.321, -59.455)  (-99.240, 244.368, -59.409)  ( 0.05,  0.02,  0.08)
178:     bond    (-148.417, 167.758, -176.834)  (-148.375, 167.796, -176.797)  ( 0.03,  0.02,  0.02)
178:     angle   ( 42.680,  72.995, 119.661)  ( 42.689,  73.003, 119.671)  ( 0.02,  0.01,  0.01)
178:     torsion (  1.407,   0.167,   0.022)  (  1.407,   0.167,   0.022)  ( 0.02,  0.01,  0.00)
178:     vdw     (  5.038,   3.401,  -2.304)  (  5.038,   3.402,  -2.304)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 96.583, -100.565, -112.965)  ( 96.632, -100.532, -112.872)  ( 0.05,  0.03,  0.08)
178:     bond    ( 89.102, -72.229, -82.360)  ( 89.141, -72.204, -82.278)  ( 0.04,  0.03,  0.10)
178:     angle   (  6.652, -35.001, -29.477)  (  6.660, -34.996, -29.466)  ( 0.12,  0.02,  0.04)
178:     torsion ( -3.870,  -4.736,  -0.148)  ( -3.869,  -4.735,  -0.147)  ( 0.03,  0.03,  0.00)
178:     vdw     (  4.700,  11.402,  -0.981)  (  4.700,  11.402,  -0.981)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (-96.914, -186.470, -88.497)  (-96.882, -186.398, -88.448)  ( 0.03,  0.04,  0.06)
178:     bond    (-78.790, -177.103, -33.032)  (-78.764, -177.044, -32.992)  ( 0.03,  0.03,  0.12)
178:     angle   (-37.779,  -5.578, -57.772)  (-37.775,  -5.566, -57.764)  ( 0.01,  0.22,  0.01)
178:     torsion (  3.007,  -1.147,  -2.059)  (  3.009,  -1.147,  -2.058)  ( 0.05,  0.02,  0.03)
178:     vdw     ( 16.394,  -2.558,   3.543)  ( 16.395,  -2.558,   3.543)  ( 0.00,  0.01,  0.00)
178:     electro (  0.254,  -0.083,   0.823)  (  0.254,  -0.083,   0.823)  ( 0.00,  0.00,  0.00)
178: 21       ( 18.115, -22.004,  18.288)  ( 18.119, -22.001,  18.316)  ( 0.02,  0.02,  0.15)
178:     bond    (  2.140,   2.802,  20.123)  (  2.140,   2.803,  20.150)  ( 0.01,  0.02,  0.13)
178:     angle   ( 15.176, -39.573,   3.891)  ( 15.179, -39.570,   3.891)  ( 0.02,  0.01,  0.00)
178:     torsion (  0.307,  -0.893,   0.092)  (  0.307,  -0.893,   0.092)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.491,  15.659,  -5.817)  (  0.492,  15.659,  -5.817)  ( 0.04,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-42.548,  36.110, 101.283)  (-42.494,  36.142, 101.373)  ( 0.13,  0.09,  0.09)
178:     bond    (-23.994,  20.120, 152.420)  (-23.949,  20.145, 152.498)  ( 0.19,  0.13,  0.05)
178:     angle   (-15.950,  11.852, -46.633)  (-15.942,  11.857, -46.621)  ( 0.05,  0.04,  0.03)
178:     torsion (  1.770,   2.186,  -0.008)  (  1.771,   2.188,  -0.008)  ( 0.06,  0.09,  0.00)
178:     vdw     ( -4.798,   2.484,  -4.355)  ( -4.798,   2.484,  -4.355)  ( 0.00,  0.00,  0.00)
178:     electro (  0.424,  -0.532,  -0.141)  (  0.424,  -0.532,  -0.141)  ( 0.00,  0.00,  0.00)
178: 23       (-43.446,  32.619, -30.428)  (-43.381,  32.658, -30.357)  ( 0.15,  0.12,  0.24)
178:     bond    (-51.035,  39.009, -46.081)  (-50.979,  39.040, -46.022)  ( 0.11,  0.08,  0.13)
178:     angle   (  8.095,  -5.547,  21.069)  (  8.103,  -5.543,  21.081)  ( 0.10,  0.08,  0.06)
178:     torsion ( -0.540,  -0.735,   0.027)  ( -0.538,  -0.733,   0.027)  ( 0.06,  0.15,  0.00)
178:     vdw     ( -0.067,  -0.023,  -5.994)  ( -0.067,  -0.023,  -5.994)  ( 0.00,  0.00,  0.00)
178:     electro (  0.101,  -0.083,   0.550)  (  0.101,  -0.083,   0.550)  ( 0.00,  0.00,  0.00)
178: 24       ( 43.655, -32.377,  -0.397)  ( 43.704, -32.347,  -0.301)  ( 0.11,  0.09,  3.82)
178:     bond    ( 53.195, -40.302,   1.077)  ( 53.234, -40.280,   1.160)  ( 0.07,  0.06,  7.75)
178:     angle   (-12.815,   9.925,   0.448)  (-12.807,   9.930,   0.461)  ( 0.06,  0.05,  0.56)
178:     torsion (  0.338,   0.422,   0.009)  (  0.339,   0.424,   0.009)  ( 0.04,  0.09,  0.00)
178:     vdw     (  3.486,  -2.810,  -1.722)  (  3.486,  -2.810,  -1.722)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.549,   0.389,  -0.208)  ( -0.549,   0.389,  -0.208)  ( 0.00,  0.00,  0.00)
178: 25       (-32.886,  25.469,  21.497)  (-32.834,  25.503,  21.587)  ( 0.16,  0.13,  0.42)
178:     bond    (-40.084,  29.921,  66.737)  (-40.040,  29.947,  66.813)  ( 0.11,  0.09,  0.12)
178:     angle   (  3.923,  -1.226, -49.132)  (  3.931,  -1.221, -49.119)  ( 0.20,  0.39,  0.03)
178:     torsion ( -0.183,  -0.218,   0.004)  ( -0.181,  -0.216,   0.004)  ( 0.02,  0.04,  0.00)
178:     vdw     (  3.666,  -3.125,   4.567)  (  3.666,  -3.124,   4.567)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.209,   0.118,  -0.679)  ( -0.209,   0.118,  -0.679)  ( 0.00,  0.00,  0.00)
178: 26       ( 19.751, -10.864, -138.067)  ( 19.814, -10.825, -138.002)  ( 0.32,  0.36,  0.05)
178:     bond    (-33.426,  30.737, -202.437)  (-33.371,  30.770, -202.385)  ( 0.16,  0.11,  0.03)
178:     angle   ( 51.930, -40.568,  58.813)  ( 51.936, -40.564,  58.827)  ( 0.01,  0.01,  0.02)
178:     torsion ( -0.221,  -0.407,  -0.147)  ( -0.220,  -0.405,  -0.147)  ( 0.02,  0.06,  0.00)
178:     vdw     (  1.469,  -0.626,   5.704)  (  1.469,  -0.626,   5.704)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  9.878,  -7.268,  34.221)  (  9.891,  -7.260,  34.237)  ( 0.13,  0.10,  0.04)
178:     bond    ( 18.852, -13.640,  19.276)  ( 18.863, -13.634,  19.287)  ( 0.06,  0.04,  0.06)
178:     angle   (-12.238,   9.361,  18.582)  (-12.237,   9.362,  18.585)  ( 0.01,  0.01,  0.02)
178:     torsion (  2.363,   3.195,  -0.052)  (  2.363,   3.196,  -0.052)  ( 0.01,  0.02,  0.00)
178:     vdw     (  1.457,  -6.242,  -3.795)  (  1.457,  -6.241,  -3.795)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.556,   0.058,   0.211)  ( -0.556,   0.058,   0.211)  ( 0.00,  0.00,  0.00)
178: 28       (-17.475,  14.834,  -2.649)  (-17.462,  14.842,  -2.635)  ( 0.07,  0.06,  0.54)
178:     bond    (-13.747,  11.035, -13.443)  (-13.735,  11.043, -13.432)  ( 0.08,  0.07,  0.08)
178:     angle   ( -5.564,   4.176,   9.118)  ( -5.562,   4.176,   9.121)  ( 0.02,  0.02,  0.04)
178:     torsion (  0.531,   0.676,   0.013)  (  0.531,   0.676,   0.013)  ( 0.02,  0.03,  0.00)
178:     vdw     (  1.658,  -1.338,   0.526)  (  1.658,  -1.338,   0.526)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.354,   0.285,   1.137)  ( -0.354,   0.285,   1.137)  ( 0.00,  0.00,  0.00)
178: 29       (-40.695,  27.606,  93.442)  (-40.693,  27.608,  93.464)  ( 0.01,  0.01,  0.02)
178:     bond    ( -7.021,   2.002,  89.351)  ( -7.022,   2.002,  89.373)  ( 0.00,  0.01,  0.02)
178:     angle   (-45.674,  35.582,  -4.385)  (-45.672,  35.584,  -4.385)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.551,   2.029,   0.076)  (  1.551,   2.029,   0.076)  ( 0.01,  0.01,  0.00)
178:     vdw     ( 10.450, -12.007,   8.400)  ( 10.450, -12.007,   8.400)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( -0.829,  -1.200,  15.993)  ( -0.825,  -1.197,  16.022)  ( 0.36,  0.23,  0.18)
178:     bond    ( -2.181,   1.471,  19.357)  ( -2.181,   1.472,  19.386)  ( 0.02,  0.02,  0.15)
178:     angle   (  1.519,  -1.155,   0.259)  (  1.522,  -1.153,   0.259)  ( 0.23,  0.17,  0.00)
178:     torsion ( -0.839,  -1.115,  -0.010)  ( -0.839,  -1.115,  -0.010)  ( 0.02,  0.04,  0.00)
178:     vdw     (  0.546,  -0.339,  -2.337)  (  0.546,  -0.339,  -2.337)  ( 0.00,  0.00,  0.00)
178:     electro (  0.126,  -0.061,  -1.275)  (  0.126,  -0.061,  -1.275)  ( 0.00,  0.00,  0.00)
178: 31       (-11.407,   8.124,   5.758)  (-11.390,   8.134,   5.767)  ( 0.15,  0.12,  0.16)
178:     bond    (-13.844,  10.469,   7.022)  (-13.828,  10.478,   7.026)  ( 0.11,  0.09,  0.06)
178:     angle   (  0.011,  -0.028,   0.060)  (  0.012,  -0.028,   0.065)  ( 0.00,  0.00,  0.03)
178:     torsion ( -0.265,  -0.344,  -0.009)  ( -0.264,  -0.343,  -0.009)  ( 0.01,  0.02,  0.00)
178:     vdw     (  1.683,  -1.247,  -1.020)  (  1.683,  -1.247,  -1.020)  ( 0.00,  0.00,  0.01)
178:     electro (  1.008,  -0.726,  -0.295)  (  1.008,  -0.726,  -0.295)  ( 0.00,  0.00,  0.00)
178: 32       (-52.345, -67.440, -40.041)  (-52.327, -67.403, -40.025)  ( 0.03,  0.06,  0.04)
178:     bond    (-50.873, -72.955, -43.899)  (-50.855, -72.919, -43.886)  ( 0.03,  0.05,  0.03)
178:     angle   ( -1.963,   5.893,  -7.524)  ( -1.963,   5.895,  -7.521)  ( 0.00,  0.03,  0.04)
178:     torsion ( -4.234,   1.481,   2.446)  ( -4.234,   1.481,   2.446)  ( 0.01,  0.00,  0.00)
178:     vdw     (  4.991,  -2.441,   9.032)  (  4.992,  -2.441,   9.032)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.266,   0.581,  -0.096)  ( -0.266,   0.581,  -0.096)  ( 0.00,  0.00,  0.00)
178: 33       ( 60.735, -72.826, 144.796)  ( 60.747, -72.793, 144.826)  ( 0.02,  0.05,  0.02)
179:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
179:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
179:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
179:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
179:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
179:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
179:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
179:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
179:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
179:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
179:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
179:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
179:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
179:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
179:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
179:  4       (  0.395,   0.197,   0.303)  (  0.400,   0.409,   0.172)  ( 0.21,  4.17,  3.96)
179:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
179:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
179:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
179:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
179:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
179:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
179:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
179:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
179:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
179:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
179:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
179:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
179:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
179:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
179:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
179:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
178:     bond    (101.827, -37.869, 196.831)  (101.834, -37.846, 196.857)  ( 0.01,  0.06,  0.01)
178:     angle   (-36.650, -45.180, -53.604)  (-36.647, -45.170, -53.601)  ( 0.01,  0.02,  0.00)
178:     torsion ( -7.700,   2.459,   5.024)  ( -7.698,   2.459,   5.024)  ( 0.02,  0.01,  0.01)
178:     vdw     (  3.258,   7.764,  -3.454)  (  3.258,   7.764,  -3.454)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       ( 10.585,   0.388,  17.616)  ( 10.635,   0.436,  17.664)  ( 0.47,  1.87,  0.28)
178:     bond    ( -0.500, -12.373,   9.898)  ( -0.463, -12.338,   9.934)  ( 1.85,  0.29,  0.36)
178:     angle   (  9.648,  15.499,  18.299)  (  9.659,  15.512,  18.311)  ( 0.12,  0.08,  0.07)
178:     torsion (  4.643,  -2.560,  -5.629)  (  4.644,  -2.560,  -5.628)  ( 0.02,  0.00,  0.01)
178:     vdw     ( -3.206,  -0.178,  -4.952)  ( -3.206,  -0.178,  -4.952)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       (-15.954,  -1.580, -30.115)  (-15.945,  -1.577, -30.093)  ( 0.06,  0.20,  0.07)
178:     bond    (-16.793,  -0.896, -30.319)  (-16.787,  -0.897, -30.298)  ( 0.04,  0.01,  0.07)
178:     angle   (  1.413,  -0.380,  -0.775)  (  1.417,  -0.376,  -0.774)  ( 0.22,  0.12,  0.08)
178:     torsion ( -0.703,   0.187,   0.384)  ( -0.703,   0.187,   0.384)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.129,  -0.491,   0.595)  (  0.129,  -0.491,   0.595)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 36       (  3.892,  26.603,  30.203)  (  3.901,  26.617,  30.215)  ( 0.24,  0.05,  0.04)
178:     bond    (-14.715,  20.399,  18.854)  (-14.709,  20.410,  18.864)  ( 0.04,  0.06,  0.05)
178:     angle   ( 19.840,   2.318,  12.960)  ( 19.843,   2.320,  12.962)  ( 0.02,  0.08,  0.02)
178:     torsion (  1.928,   0.401,   1.070)  (  1.929,   0.401,   1.070)  ( 0.01,  0.00,  0.01)
178:     vdw     ( -3.162,   3.486,  -2.682)  ( -3.162,   3.486,  -2.682)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 37       ( 35.452,  17.308,  10.249)  ( 35.477,  17.313,  10.254)  ( 0.07,  0.03,  0.05)
178:     bond    ( 32.455,   9.782,  -5.786)  ( 32.479,   9.784,  -5.785)  ( 0.08,  0.02,  0.01)
178:     angle   (  2.700,   4.121,  22.134)  (  2.701,   4.125,  22.137)  ( 0.01,  0.08,  0.02)
178:     torsion (  0.010,   0.083,   0.194)  (  0.010,   0.083,   0.194)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.287,   3.322,  -6.292)  (  0.287,   3.322,  -6.292)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 26 # gradients 
178: ok 27 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (230.770,  15.548,  47.534)  (230.842,  15.637,  47.545)  ( 0.03,  0.58,  0.02)
178:     bond    (121.169,  86.026,  47.443)  (121.228,  86.103,  47.449)  ( 0.05,  0.09,  0.01)
178:     angle   (114.073, -75.278,  10.957)  (114.085, -75.265,  10.959)  ( 0.01,  0.02,  0.02)
178:     torsion (  2.315,   2.076, -10.103)  (  2.315,   2.076, -10.100)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -6.787,   2.723,  -0.763)  ( -6.787,   2.723,  -0.763)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       ( 31.074, -55.193,  28.644)  ( 31.177, -55.120,  28.657)  ( 0.33,  0.13,  0.05)
178:     bond    (105.357, -149.034,  -5.246)  (105.440, -148.979,  -5.239)  ( 0.08,  0.04,  0.14)
178:     angle   (-80.367, 107.149,  -3.347)  (-80.347, 107.165,  -3.343)  ( 0.02,  0.02,  0.11)
178:     torsion (  9.368,  -1.776,  23.908)  (  9.368,  -1.776,  23.910)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.283, -11.531,  13.329)  ( -3.283, -11.531,  13.329)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-236.753, -106.456, -95.205)  (-236.677, -106.370, -95.193)  ( 0.03,  0.08,  0.01)
178:     bond    (-177.229, -86.227, -64.766)  (-177.165, -86.154, -64.759)  ( 0.04,  0.08,  0.01)
178:     angle   (-70.025, -29.241, -13.562)  (-70.013, -29.228, -13.560)  ( 0.02,  0.04,  0.02)
178:     torsion (  4.874,   3.954, -19.458)  (  4.874,   3.954, -19.456)  ( 0.00,  0.00,  0.01)
178:     vdw     (  5.628,   5.057,   2.581)  (  5.628,   5.057,   2.581)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-126.999, -160.981, -84.433)  (-126.935, -160.889, -84.419)  ( 0.05,  0.06,  0.02)
178:     bond    (-234.447,  24.970, -55.738)  (-234.396,  25.050, -55.729)  ( 0.02,  0.32,  0.02)
178:     angle   ( 99.611, -183.568, -21.468)  ( 99.624, -183.556, -21.465)  ( 0.01,  0.01,  0.01)
178:     torsion (  1.884,   1.751,  -6.942)  (  1.884,   1.751,  -6.941)  ( 0.01,  0.01,  0.03)
178:     vdw     (  5.953,  -4.134,  -0.285)  (  5.953,  -4.134,  -0.285)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (-22.500, 327.225,  82.973)  (-22.421, 327.266,  82.984)  ( 0.35,  0.01,  0.01)
178:     bond    ( 38.244, 121.228,  41.806)  ( 38.319, 121.256,  41.813)  ( 0.20,  0.02,  0.02)
178:     angle   (-54.031, 208.040,  36.291)  (-54.027, 208.053,  36.292)  ( 0.01,  0.01,  0.00)
178:     torsion ( -1.949,  -1.946,   7.573)  ( -1.949,  -1.946,   7.574)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -4.764,  -0.097,  -2.696)  ( -4.764,  -0.097,  -2.696)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       ( 32.880, -339.346, -69.860)  ( 32.955, -339.260, -69.851)  ( 0.23,  0.03,  0.01)
178:     bond    ( 86.762, -175.637, -21.392)  ( 86.824, -175.563, -21.387)  ( 0.07,  0.04,  0.02)
178:     angle   (-51.939, -157.049, -49.092)  (-51.926, -157.038, -49.090)  ( 0.03,  0.01,  0.00)
178:     torsion ( -0.579,  -0.614,   2.947)  ( -0.579,  -0.614,   2.949)  ( 0.01,  0.01,  0.08)
178:     vdw     ( -0.865,  -6.374,  -2.432)  ( -0.865,  -6.374,  -2.432)  ( 0.02,  0.00,  0.00)
178:     electro ( -0.499,   0.329,   0.109)  ( -0.499,   0.329,   0.109)  ( 0.00,  0.00,  0.00)
178:  7       (133.858,  88.163,  -4.538)  (133.901,  88.209,  -4.499)  ( 0.03,  0.05,  0.86)
178:     bond    (120.107, -51.316, -45.582)  (120.140, -51.282, -45.553)  ( 0.03,  0.07,  0.06)
178:     angle   ( 14.796, 145.842,  41.461)  ( 14.806, 145.853,  41.471)  ( 0.07,  0.01,  0.02)
178:     torsion ( -0.612,  -0.558,   2.434)  ( -0.612,  -0.558,   2.435)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -0.433,  -5.805,  -2.852)  ( -0.433,  -5.804,  -2.852)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       ( -8.961,  88.814,  12.903)  ( -8.949,  88.851,  12.924)  ( 0.13,  0.04,  0.16)
178:     bond    (-20.203, 101.675,  18.600)  (-20.201, 101.710,  18.616)  ( 0.01,  0.04,  0.09)
178:     angle   ( 38.037, -13.083,   7.156)  ( 38.047, -13.081,   7.160)  ( 0.03,  0.01,  0.06)
178:     torsion (-21.767,  -2.156,  -9.606)  (-21.768,  -2.156,  -9.606)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.028,   2.378,  -3.247)  ( -5.027,   2.378,  -3.247)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       ( -1.781,  27.438,   6.210)  ( -1.735,  27.485,   6.259)  ( 2.59,  0.17,  0.79)
178:     bond    ( -2.842, -29.193,  13.720)  ( -2.805, -29.158,  13.757)  ( 1.28,  0.12,  0.27)
178:     angle   ( -6.775,  56.706,  -9.037)  ( -6.765,  56.718,  -9.025)  ( 0.15,  0.02,  0.13)
178:     torsion (  8.642,  -0.633,   2.133)  (  8.642,  -0.634,   2.133)  ( 0.01,  0.02,  0.01)
178:     vdw     ( -0.806,   0.558,  -0.606)  ( -0.806,   0.558,  -0.606)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (121.026,  97.357,  77.519)  (121.076,  97.405,  77.566)  ( 0.04,  0.05,  0.06)
178:     bond    ( 55.916,  58.881,  22.131)  ( 55.952,  58.916,  22.168)  ( 0.06,  0.06,  0.17)
178:     angle   ( 65.497,  37.697,  49.927)  ( 65.510,  37.710,  49.937)  ( 0.02,  0.04,  0.02)
178:     torsion ( -1.399,  -1.243,   5.820)  ( -1.399,  -1.243,   5.820)  ( 0.00,  0.00,  0.01)
178:     vdw     (  1.013,   2.022,  -0.358)  (  1.013,   2.022,  -0.358)  ( 0.01,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (-178.441,  56.536, -12.123)  (-178.391,  56.584, -12.076)  ( 0.03,  0.09,  0.39)
178:     bond    (-113.413,  39.694, -12.800)  (-113.376,  39.729, -12.764)  ( 0.03,  0.09,  0.28)
178:     angle   (-63.583,  15.799,   0.304)  (-63.571,  15.813,   0.315)  ( 0.02,  0.08,  0.31)
178:     torsion ( -0.164,  -0.169,   0.725)  ( -0.164,  -0.169,   0.726)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.281,   1.211,  -0.352)  ( -1.281,   1.211,  -0.352)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-309.585, 168.570, -61.479)  (-309.474, 168.656, -61.471)  ( 0.04,  0.05,  0.01)
178:     bond    (-261.125, 204.404, -58.888)  (-261.025, 204.475, -58.884)  ( 0.04,  0.03,  0.01)
178:     angle   (-44.453, -44.369,  -0.417)  (-44.442, -44.354,  -0.417)  ( 0.03,  0.03,  0.01)
178:     torsion (  0.061,  -0.086,  -0.605)  (  0.061,  -0.086,  -0.601)  ( 0.00,  0.00,  0.25)
178:     vdw     ( -4.068,   8.620,  -1.569)  ( -4.068,   8.620,  -1.569)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       ( 43.845, -102.204,  20.477)  ( 43.934, -102.124,  20.483)  ( 0.20,  0.08,  0.03)
178:     bond    (117.722, -98.093,  27.700)  (117.798, -98.025,  27.703)  ( 0.06,  0.07,  0.01)
178:     angle   (-74.835,  -7.801,  -6.628)  (-74.822,  -7.789,  -6.628)  ( 0.02,  0.15,  0.00)
178:     torsion (  0.024,  -0.039,  -0.234)  (  0.024,  -0.039,  -0.230)  ( 0.00,  0.00,  0.08)
178:     vdw     (  2.133,   2.565,  -0.133)  (  2.133,   2.565,  -0.133)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.199,   1.164,  -0.229)  ( -1.199,   1.164,  -0.229)  ( 0.00,  0.00,  0.00)
178: 14       (-36.109, -48.858,   3.417)  (-36.039, -48.759,   3.424)  ( 0.20,  0.20,  0.21)
178:     bond    (-115.278, -76.367,  -0.800)  (-115.221, -76.279,  -0.797)  ( 0.05,  0.11,  0.30)
178:     angle   ( 71.512,  27.575,   3.506)  ( 71.525,  27.586,   3.506)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.015,  -0.022,  -0.148)  (  0.015,  -0.022,  -0.145)  ( 0.00,  0.00,  0.05)
178:     vdw     (  8.156,  -0.533,   0.952)  (  8.157,  -0.533,   0.952)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.515,   0.489,  -0.092)  ( -0.515,   0.489,  -0.092)  ( 0.00,  0.00,  0.00)
178: 15       ( 33.113,  48.660,  -4.041)  ( 33.209,  48.734,  -4.035)  ( 0.29,  0.15,  0.17)
178:     bond    ( 31.105, 131.273, -16.544)  ( 31.189, 131.334, -16.541)  ( 0.27,  0.05,  0.02)
178:     angle   ( -1.857, -74.929,  11.143)  ( -1.845, -74.917,  11.143)  ( 0.64,  0.02,  0.00)
178:     torsion (  0.027,  -0.039,  -0.263)  (  0.027,  -0.039,  -0.260)  ( 0.00,  0.00,  0.08)
178:     vdw     (  3.027,  -7.745,   1.526)  (  3.027,  -7.745,   1.526)  ( 0.00,  0.00,  0.00)
178:     electro (  0.811,   0.101,   0.097)  (  0.811,   0.101,   0.097)  ( 0.00,  0.00,  0.00)
178: 16       (121.317,  -1.933,  14.143)  (121.404,  -1.852,  14.149)  ( 0.07,  4.20,  0.04)
178:     bond    (133.239, -68.848,  24.454)  (133.314, -68.779,  24.457)  ( 0.06,  0.10,  0.01)
178:     angle   (-10.468,  68.924, -10.394)  (-10.456,  68.937, -10.394)  ( 0.12,  0.02,  0.00)
178:     torsion (  0.005,  -0.025,  -0.143)  (  0.005,  -0.024,  -0.140)  ( 0.00,  0.00,  0.05)
178:     vdw     ( -2.434,  -2.403,   0.153)  ( -2.434,  -2.403,   0.153)  ( 0.00,  0.00,  0.00)
178:     electro (  0.975,   0.417,   0.073)  (  0.975,   0.417,   0.073)  ( 0.00,  0.00,  0.00)
178: 17       (-325.590, 298.031, -75.555)  (-325.500, 298.136, -75.547)  ( 0.03,  0.04,  0.01)
178:     bond    (-371.855, 211.563, -66.837)  (-371.779, 211.658, -66.833)  ( 0.02,  0.04,  0.01)
178:     angle   ( 55.346,  85.009,  -7.558)  ( 55.360,  85.020,  -7.558)  ( 0.03,  0.01,  0.00)
178:     torsion (  0.036,  -0.026,  -0.174)  (  0.037,  -0.026,  -0.170)  ( 0.00,  0.00,  0.06)
178:     vdw     ( -9.118,   1.484,  -0.986)  ( -9.118,   1.484,  -0.986)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (164.570, -216.301,  59.167)  (164.657, -216.222,  59.174)  ( 0.05,  0.04,  0.01)
178:     bond    (138.178, -139.130,  38.931)  (138.251, -139.065,  38.934)  ( 0.05,  0.05,  0.01)
178:     angle   ( 25.727, -77.475,  12.790)  ( 25.740, -77.460,  12.791)  ( 0.05,  0.02,  0.00)
178:     torsion ( -0.695,   0.990,   6.900)  ( -0.695,   0.990,   6.903)  ( 0.00,  0.01,  0.04)
178:     vdw     (  2.153,  -5.046,   0.612)  (  2.153,  -5.046,   0.612)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.792,   4.359,  -0.065)  ( -0.792,   4.359,  -0.065)  ( 0.00,  0.00,  0.00)
178: 19       (-965.766, 2663.086, -575.860)  (-965.690, 2663.170, -575.850)  ( 0.01,  0.00,  0.00)
178:     bond    (-1418.917, 2382.703, -443.048)  (-1418.856, 2382.777, -443.040)  ( 0.00,  0.00,  0.00)
178:     angle   (447.095, 281.029, -129.732)  (447.109, 281.038, -129.733)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.024,   0.039,   0.308)  (  0.024,   0.039,   0.309)  ( 0.00,  0.00,  0.05)
178:     vdw     (  6.033,  -0.685,  -3.387)  (  6.033,  -0.685,  -3.387)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (114.232, -437.606,  83.440)  (114.289, -437.539,  83.444)  ( 0.05,  0.02,  0.00)
178:     bond    (358.499, -354.381,  86.813)  (358.545, -354.320,  86.816)  ( 0.01,  0.02,  0.00)
178:     angle   (-245.243, -83.323,  -1.702)  (-245.232, -83.318,  -1.702)  ( 0.00,  0.01,  0.01)
178:     torsion (  0.110,  -0.237,  -1.547)  (  0.110,  -0.237,  -1.546)  ( 0.00,  0.00,  0.07)
178:     vdw     (  0.866,   0.335,  -0.124)  (  0.866,   0.335,  -0.124)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (1412.002, -2219.798, 590.177)  (1412.038, -2219.762, 590.203)  ( 0.00,  0.00,  0.00)
178:     bond    (1625.070, -1930.637, 478.096)  (1625.097, -1930.605, 478.116)  ( 0.00,  0.00,  0.00)
178:     angle   (-197.172, -290.361, 113.648)  (-197.163, -290.357, 113.653)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.078,  -0.157,  -1.123)  (  0.078,  -0.157,  -1.123)  ( 0.00,  0.00,  0.02)
178:     vdw     (-21.130,   1.015,  -0.657)  (-21.129,   1.015,  -0.657)  ( 0.00,  0.00,  0.00)
178:     electro (  5.156,   0.342,   0.213)  (  5.156,   0.342,   0.213)  ( 0.00,  0.00,  0.00)
178: 22       (-366.659, -78.515, -15.951)  (-366.643, -78.496, -15.948)  ( 0.00,  0.02,  0.02)
178:     bond    (-171.955, -219.996, -39.220)  (-171.945, -219.980, -39.219)  ( 0.01,  0.01,  0.00)
178:     angle   (-23.182,  13.743,  24.534)  (-23.181,  13.744,  24.536)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (-160.520, 122.573,  -1.512)  (-160.516, 122.575,  -1.512)  ( 0.00,  0.00,  0.03)
178:     electro (-11.002,   5.165,   0.246)  (-11.002,   5.165,   0.246)  ( 0.00,  0.00,  0.00)
178: 23       (-22.584,  54.833,   6.425)  (-22.566,  54.848,   6.428)  ( 0.08,  0.03,  0.05)
178:     bond    ( 15.086,  13.833,   6.673)  ( 15.101,  13.845,   6.676)  ( 0.09,  0.09,  0.04)
178:     angle   (-45.622,  49.256,   1.036)  (-45.620,  49.258,   1.036)  ( 0.01,  0.01,  0.01)
178:     torsion (  0.047,   0.044,  -0.198)  (  0.047,   0.044,  -0.198)  ( 0.00,  0.00,  0.01)
178:     vdw     (  7.493,  -8.141,  -1.046)  (  7.493,  -8.141,  -1.046)  ( 0.00,  0.00,  0.00)
178:     electro (  0.412,  -0.158,  -0.040)  (  0.412,  -0.158,  -0.040)  ( 0.00,  0.00,  0.00)
178: 24       (-16.608, -19.937, -12.909)  (-16.604, -19.911, -12.905)  ( 0.02,  0.13,  0.03)
178:     bond    ( -3.330, -18.505,   2.198)  ( -3.329, -18.479,   2.198)  ( 0.02,  0.14,  0.01)
178:     angle   (-13.113,  -0.092, -20.627)  (-13.110,  -0.092, -20.624)  ( 0.02,  0.00,  0.02)
178:     torsion (  0.001,  -0.003,  -0.022)  (  0.001,  -0.003,  -0.022)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.167,  -1.338,   5.543)  ( -0.167,  -1.338,   5.543)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( 11.683,   5.989,  18.013)  ( 11.692,   5.996,  18.033)  ( 0.07,  0.12,  0.11)
178:     bond    ( 19.057,  11.460,  31.582)  ( 19.064,  11.462,  31.601)  ( 0.03,  0.02,  0.06)
178:     angle   (-13.425,  45.799,  -8.517)  (-13.423,  45.803,  -8.516)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.014,  -0.022,   0.017)  ( -0.014,  -0.022,   0.017)  ( 0.00,  0.00,  0.00)
178:     vdw     (  6.066, -51.248,  -5.069)  (  6.066, -51.246,  -5.069)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (  0.724, -29.231,  -9.886)  (  0.729, -29.220,  -9.867)  ( 0.37,  0.04,  0.20)
178:     bond    (  4.372,  -9.327, -14.621)  (  4.374,  -9.320, -14.603)  ( 0.04,  0.08,  0.13)
178:     angle   ( -0.345, -31.995,  20.315)  ( -0.342, -31.992,  20.316)  ( 0.13,  0.01,  0.00)
178:     torsion ( -6.009,   0.002,  -1.801)  ( -6.009,   0.002,  -1.801)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.706,  12.090, -13.779)  (  2.706,  12.090, -13.778)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (-25.773,  20.839,  -2.648)  (-25.754,  20.850,  -2.643)  ( 0.07,  0.06,  0.18)
178:     bond    (-26.324,  19.256,  -7.192)  (-26.307,  19.266,  -7.191)  ( 0.07,  0.05,  0.02)
178:     angle   ( -1.773,  -2.324,   0.259)  ( -1.772,  -2.322,   0.263)  ( 0.07,  0.11,  0.09)
178:     torsion (  2.286,   4.628,   4.034)  (  2.286,   4.628,   4.034)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.038,  -0.721,   0.252)  (  0.038,  -0.721,   0.252)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       ( 31.717,  10.764,   4.950)  ( 31.735,  10.776,   4.955)  ( 0.06,  0.11,  0.10)
178:     bond    ( 24.691,  19.128,   8.139)  ( 24.707,  19.138,   8.140)  ( 0.07,  0.05,  0.02)
178:     angle   (  4.802,  -5.862,  -0.807)  (  4.803,  -5.860,  -0.803)  ( 0.04,  0.04,  0.26)
178:     torsion (  3.079,  -3.340,  -1.493)  (  3.079,  -3.340,  -1.494)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.855,   0.838,  -0.889)  ( -0.855,   0.838,  -0.889)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       ( 17.273,  -9.621,   3.628)  ( 17.287,  -9.611,   3.639)  ( 0.08,  0.11,  0.30)
178:     bond    ( 27.772, -19.828,  22.921)  ( 27.785, -19.821,  22.930)  ( 0.05,  0.03,  0.04)
178:     angle   ( -7.655, -43.113, -27.996)  ( -7.653, -43.111, -27.993)  ( 0.03,  0.01,  0.01)
178:     torsion ( -0.003,   0.001,   0.005)  ( -0.003,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.841,  53.319,   8.698)  ( -2.841,  53.320,   8.698)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (  8.872,   4.980, -31.183)  (  8.880,   4.987, -31.164)  ( 0.10,  0.15,  0.06)
178:     bond    ( 14.300,  12.483, -24.570)  ( 14.306,  12.488, -24.553)  ( 0.04,  0.04,  0.07)
178:     angle   ( -5.491,  -6.853,  -6.683)  ( -5.488,  -6.850,  -6.681)  ( 0.05,  0.05,  0.02)
178:     torsion ( -0.006,   0.007,   0.000)  ( -0.006,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.068,  -0.657,   0.070)  (  0.068,  -0.657,   0.070)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (-38.803,  21.558,  -3.759)  (-38.796,  21.575,  -3.747)  ( 0.02,  0.08,  0.31)
178:     bond    ( -9.767,  20.602,  16.092)  ( -9.764,  20.617,  16.101)  ( 0.03,  0.07,  0.06)
178:     angle   (-39.187,   1.263, -25.384)  (-39.183,   1.265, -25.382)  ( 0.01,  0.14,  0.01)
178:     torsion (  0.002,  -0.008,   0.011)  (  0.002,  -0.008,   0.011)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.149,  -0.299,   5.522)  ( 10.150,  -0.299,   5.522)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       ( -1.413, -33.007,  -7.791)  ( -1.399, -32.990,  -7.786)  ( 0.98,  0.05,  0.06)
178:     bond    (-17.356, -19.718,  -3.615)  (-17.344, -19.703,  -3.614)  ( 0.07,  0.08,  0.01)
178:     angle   ( 25.951, -21.946,  -4.917)  ( 25.953, -21.945,  -4.913)  ( 0.01,  0.01,  0.08)
178:     torsion (  0.013,   0.004,  -0.083)  (  0.013,   0.004,  -0.083)  ( 0.00,  0.00,  0.00)
178:     vdw     (-10.021,   8.654,   0.824)  (-10.021,   8.654,   0.824)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       ( 14.342,  25.091,  24.049)  ( 14.347,  25.101,  24.069)  ( 0.04,  0.04,  0.08)
178:     bond    ( -8.159,  14.049,  22.197)  ( -8.157,  14.056,  22.215)  ( 0.03,  0.05,  0.08)
178:     angle   ( 25.372,  11.763,   1.871)  ( 25.375,  11.766,   1.872)  ( 0.01,  0.03,  0.07)
178:     torsion ( -0.032,  -0.072,   0.034)  ( -0.032,  -0.072,   0.034)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.839,  -0.649,  -0.052)  ( -2.839,  -0.649,  -0.052)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       ( 14.982,  24.879, -21.566)  ( 14.985,  24.891, -21.547)  ( 0.02,  0.05,  0.09)
178:     bond    ( -1.186,  18.722, -25.133)  ( -1.186,  18.732, -25.115)  ( 0.01,  0.05,  0.07)
178:     angle   ( 16.567,   6.266,   3.891)  ( 16.570,   6.268,   3.893)  ( 0.02,  0.04,  0.04)
178:     torsion (  0.018,   0.066,   0.048)  (  0.018,   0.066,   0.048)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.417,  -0.174,  -0.372)  ( -0.417,  -0.174,  -0.372)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       (  4.828,   0.430,   0.212)  (  4.842,   0.451,   0.213)  ( 0.29,  0.89,  0.02)
178:     bond    (  1.611,   2.181,  -0.163)  (  1.621,   2.200,  -0.162)  ( 0.63,  0.86,  0.00)
178:     angle   (  3.124,  -2.253,   0.734)  (  3.127,  -2.251,   0.734)  ( 0.12,  0.08,  0.00)
178:     torsion (  0.021,  -0.030,  -0.197)  (  0.021,  -0.030,  -0.196)  ( 0.00,  0.00,  0.02)
178:     vdw     ( -0.881,   1.566,  -0.324)  ( -0.881,   1.566,  -0.324)  ( 0.00,  0.00,  0.00)
178:     electro (  0.953,  -1.035,   0.162)  (  0.953,  -1.035,   0.162)  ( 0.00,  0.00,  0.00)
178: 36       (-38.521,   8.137,  -5.650)  (-38.493,   8.143,  -5.648)  ( 0.07,  0.08,  0.03)
178:     bond    (-41.790,   5.311,  -5.340)  (-41.762,   5.312,  -5.339)  ( 0.07,  0.01,  0.01)
178:     angle   (  0.354,   2.444,  -0.335)  (  0.354,   2.449,  -0.335)  ( 0.00,  0.22,  0.00)
178:     torsion (  0.022,  -0.032,  -0.207)  (  0.022,  -0.032,  -0.206)  ( 0.00,  0.00,  0.01)
178:     vdw     (  2.141,   0.498,   0.160)  (  2.141,   0.498,   0.160)  ( 0.00,  0.01,  0.00)
178:     electro (  0.751,  -0.084,   0.071)  (  0.751,  -0.084,   0.071)  ( 0.00,  0.00,  0.00)
178: 37       (-21.113,  33.562,  -7.402)  (-21.104,  33.587,  -7.401)  ( 0.05,  0.07,  0.03)
178:     bond    (-17.334,  38.426,  -7.733)  (-17.329,  38.450,  -7.732)  ( 0.03,  0.06,  0.01)
178:     angle   ( -3.889,  -1.784,  -0.159)  ( -3.885,  -1.783,  -0.159)  ( 0.12,  0.05,  0.00)
178:     torsion ( -0.003,   0.004,   0.027)  ( -0.003,   0.004,   0.028)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.176,  -2.175,   0.348)  (  0.176,  -2.175,   0.348)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.062,  -0.910,   0.114)  ( -0.062,  -0.910,   0.114)  ( 0.00,  0.00,  0.00)
178: 38       ( -5.431,  -0.451,   0.024)  ( -5.417,  -0.431,   0.025)  ( 0.26,  0.91,  0.00)
178:     bond    ( -1.879,  -2.467,   0.180)  ( -1.868,  -2.448,   0.180)  ( 0.57,  0.74,  0.00)
178:     angle   ( -0.324,   0.244,   0.014)  ( -0.321,   0.246,   0.014)  ( 0.11,  0.05,  0.00)
178:     torsion ( -0.045,   0.066,   0.437)  ( -0.045,   0.066,   0.437)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -1.909,   0.542,  -0.273)  ( -1.909,   0.542,  -0.273)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.274,   1.163,  -0.334)  ( -1.274,   1.163,  -0.334)  ( 0.00,  0.00,  0.00)
178: 39       (204.595, -232.813,  17.423)  (204.607, -232.783,  17.424)  ( 0.01,  0.01,  0.00)
178:     bond    (-25.243, -90.642,   9.182)  (-25.240, -90.615,   9.182)  ( 0.01,  0.03,  0.01)
178:     angle   ( 46.593, -12.125,   8.430)  ( 46.598, -12.125,   8.430)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.323,  -0.400,  -3.056)  (  0.323,  -0.400,  -3.055)  ( 0.00,  0.00,  0.02)
178:     vdw     (176.635, -118.304,   3.193)  (176.640, -118.302,   3.193)  ( 0.00,  0.00,  0.02)
178:     electro (  6.286, -11.341,  -0.326)  (  6.286, -11.341,  -0.326)  ( 0.00,  0.00,  0.00)
178: ok 28 # gradients 
178: ok 29 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
180:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
180:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
180:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
180:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
180:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
180:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
180:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
180:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
180:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
180:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
180:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
180:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
180:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
180:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
180:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
180:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
180:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
180:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
180:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
180:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
180:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
180:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
180:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
180:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
180:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
180:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
180:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
180:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
180:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
180:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
180:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
180:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
180:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
180:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
180:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
180:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
178: ----------------------------------------------------------------------------------------
178:  1       (-483.685, -788.434, -25.900)  (-483.635, -788.379, -25.858)  ( 0.01,  0.01,  0.16)
178:     bond    (-123.483, -133.688,  12.161)  (-123.445, -133.645,  12.191)  ( 0.03,  0.03,  0.25)
178:     angle   (-359.908, -649.896, -38.074)  (-359.897, -649.884, -38.062)  ( 0.00,  0.00,  0.03)
178:     torsion (  2.101,  -1.457,   2.833)  (  2.101,  -1.457,   2.833)  ( 0.02,  0.02,  0.02)
178:     vdw     ( -2.395,  -3.392,  -2.820)  ( -2.395,  -3.392,  -2.820)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-150.289,  75.914, 142.318)  (-150.239,  75.954, 142.365)  ( 0.03,  0.05,  0.03)
178:     bond    (  9.834,  50.544, -146.894)  (  9.875,  50.571, -146.855)  ( 0.41,  0.05,  0.03)
178:     angle   (-153.746,  27.483, 293.328)  (-153.736,  27.495, 293.336)  ( 0.01,  0.04,  0.00)
178:     torsion ( -6.223,  -2.600,  -3.652)  ( -6.222,  -2.599,  -3.651)  ( 0.01,  0.03,  0.02)
178:     vdw     ( -0.155,   0.487,  -0.464)  ( -0.155,   0.487,  -0.464)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (118.446, 171.114, -465.743)  (118.500, 171.156, -465.699)  ( 0.04,  0.02,  0.01)
178:     bond    (-19.118,  50.713, -154.500)  (-19.073,  50.747, -154.471)  ( 0.24,  0.07,  0.02)
178:     angle   (137.091,  91.897, -324.372)  (137.099,  91.904, -324.357)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.601,  28.940,  16.482)  ( -0.601,  28.940,  16.483)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.074,  -0.436,  -3.354)  (  1.074,  -0.436,  -3.354)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-86.609, 439.014, 711.149)  (-86.565, 439.062, 711.205)  ( 0.05,  0.01,  0.01)
178:     bond    (-32.932,  73.361, 171.694)  (-32.901,  73.397, 171.737)  ( 0.09,  0.05,  0.03)
178:     angle   (-54.988, 361.477, 537.547)  (-54.976, 361.488, 537.560)  ( 0.02,  0.00,  0.00)
178:     torsion (  0.844,   1.591,  -0.716)  (  0.845,   1.592,  -0.716)  ( 0.04,  0.03,  0.01)
178:     vdw     (  0.467,   2.585,   2.624)  (  0.467,   2.585,   2.624)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       ( -7.567, -638.470,  59.542)  ( -7.494, -638.410,  59.578)  ( 0.97,  0.01,  0.06)
178:     bond    (236.905, -169.810,   6.565)  (236.972, -169.758,   6.592)  ( 0.03,  0.03,  0.41)
178:     angle   (-212.896, -410.032, 140.931)  (-212.889, -410.024, 140.940)  ( 0.00,  0.00,  0.01)
178:     torsion (-26.430, -66.832, -87.390)  (-26.430, -66.832, -87.390)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.147,   8.205,  -0.565)  ( -5.147,   8.205,  -0.565)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (228.653, 260.133,  44.807)  (228.739, 260.195,  44.834)  ( 0.04,  0.02,  0.06)
178:     bond    (-54.553, -97.251, 136.985)  (-54.476, -97.200, 137.006)  ( 0.14,  0.05,  0.02)
178:     angle   (241.657, 321.716, -125.937)  (241.665, 321.726, -125.930)  ( 0.00,  0.00,  0.00)
178:     torsion ( 33.723,  32.553,  36.486)  ( 33.724,  32.554,  36.486)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.350,   3.286,  -3.257)  (  8.350,   3.286,  -3.257)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.524,  -0.171,   0.530)  ( -0.524,  -0.171,   0.530)  ( 0.00,  0.00,  0.00)
178:  7       (-587.438, -143.305,  11.645)  (-587.363, -143.225,  11.664)  ( 0.01,  0.06,  0.17)
178:     bond    (-298.842, -73.718,  17.820)  (-298.773, -73.651,  17.834)  ( 0.02,  0.09,  0.08)
178:     angle   (-258.526, -67.862, -17.538)  (-258.520, -67.851, -17.531)  ( 0.00,  0.02,  0.04)
178:     torsion (-39.427,  -2.663,  13.927)  (-39.427,  -2.663,  13.926)  ( 0.00,  0.00,  0.01)
178:     vdw     (  9.955,   0.661,  -2.710)  (  9.955,   0.661,  -2.710)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.598,   0.279,   0.145)  ( -0.598,   0.279,   0.145)  ( 0.00,  0.00,  0.00)
178:  8       ( 45.410,  31.974, 493.709)  ( 45.471,  32.044, 493.748)  ( 0.13,  0.22,  0.01)
178:     bond    (-37.015, 339.079, 109.544)  (-36.964, 339.142, 109.578)  ( 0.14,  0.02,  0.03)
178:     angle   ( 63.762, -301.464, 382.571)  ( 63.773, -301.456, 382.577)  ( 0.02,  0.00,  0.00)
178:     torsion ( 14.673,   1.679,  -0.383)  ( 14.672,   1.679,  -0.383)  ( 0.00,  0.00,  0.02)
178:     vdw     (  3.991,  -7.321,   1.976)  (  3.991,  -7.320,   1.976)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  9       (360.867, 242.908, -676.023)  (360.927, 242.947, -675.950)  ( 0.02,  0.02,  0.01)
178:     bond    (152.916,   8.014, -198.640)  (152.966,   8.044, -198.571)  ( 0.03,  0.37,  0.03)
178:     angle   (227.853, 245.387, -443.490)  (227.864, 245.396, -443.485)  ( 0.00,  0.00,  0.00)
178:     torsion (-13.958, -16.520, -43.857)  (-13.958, -16.521, -43.857)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -5.702,   5.042,  10.533)  ( -5.702,   5.042,  10.533)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.242,   0.986,  -0.569)  ( -0.242,   0.986,  -0.569)  ( 0.00,  0.00,  0.00)
178: 10       (-111.605, -180.030, 561.474)  (-111.548, -179.947, 561.506)  ( 0.05,  0.05,  0.01)
178:     bond    ( 67.468,  54.576, -12.563)  ( 67.512,  54.651, -12.535)  ( 0.07,  0.14,  0.22)
178:     angle   (-184.159, -249.578, 505.421)  (-184.147, -249.570, 505.426)  ( 0.01,  0.00,  0.00)
178:     torsion ( 13.823,  16.842,  62.209)  ( 13.823,  16.842,  62.209)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.154,  -2.355,   6.685)  ( -9.154,  -2.355,   6.685)  ( 0.00,  0.00,  0.00)
178:     electro (  0.418,   0.486,  -0.279)  (  0.418,   0.486,  -0.279)  ( 0.00,  0.00,  0.00)
178: 11       ( 38.790, -27.584, -102.068)  ( 38.833, -27.533, -102.027)  ( 0.11,  0.18,  0.04)
178:     bond    (-120.065, -106.033,  79.009)  (-120.030, -105.994,  79.042)  ( 0.03,  0.04,  0.04)
178:     angle   (150.692,  64.751, -222.033)  (150.700,  64.762, -222.025)  ( 0.01,  0.02,  0.00)
178:     torsion (  7.707,  14.295,  42.537)  (  7.708,  14.295,  42.537)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.455,  -0.597,  -1.581)  (  0.455,  -0.597,  -1.581)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (315.995, -171.132, -664.068)  (316.042, -171.087, -664.013)  ( 0.01,  0.03,  0.01)
178:     bond    ( 87.522, -58.387, -171.625)  ( 87.557, -58.353, -171.583)  ( 0.04,  0.06,  0.02)
178:     angle   (229.808, -113.542, -492.188)  (229.819, -113.531, -492.175)  ( 0.00,  0.01,  0.00)
178:     torsion ( -0.960,   0.838,  -0.805)  ( -0.960,   0.839,  -0.805)  ( 0.04,  0.04,  0.01)
178:     vdw     ( -0.375,  -0.042,   0.550)  ( -0.375,  -0.042,   0.550)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (222.439, -937.863, 264.573)  (222.468, -937.828, 264.632)  ( 0.01,  0.00,  0.02)
178:     bond    (-46.368, -89.865,  59.959)  (-46.335, -89.841,  60.025)  ( 0.07,  0.03,  0.11)
178:     angle   (258.667, -818.948, 227.732)  (258.669, -818.936, 227.731)  ( 0.00,  0.00,  0.00)
178:     torsion (  9.754, -28.354, -26.126)  (  9.749, -28.354, -26.131)  ( 0.06,  0.00,  0.02)
178:     vdw     (  0.300,   0.067,   3.587)  (  0.300,   0.067,   3.587)  ( 0.00,  0.00,  0.00)
178:     electro (  0.085,  -0.764,  -0.579)  (  0.085,  -0.764,  -0.579)  ( 0.00,  0.00,  0.00)
178: 14       (-757.574, 461.942, 328.683)  (-757.618, 461.994, 328.644)  ( 0.01,  0.01,  0.01)
178:     bond    (  0.586, -45.719,   2.500)  (  0.597, -45.671,   2.514)  ( 0.66,  0.11,  0.57)
178:     angle   (-779.027, 502.723, 295.552)  (-779.044, 502.728, 295.532)  ( 0.00,  0.00,  0.01)
178:     torsion ( 18.184,   6.220,  25.946)  ( 18.147,   6.220,  25.912)  ( 0.20,  0.00,  0.13)
178:     vdw     (  2.459,  -1.220,   3.406)  (  2.459,  -1.220,   3.406)  ( 0.00,  0.00,  0.00)
178:     electro (  0.223,  -0.062,   1.279)  (  0.223,  -0.062,   1.279)  ( 0.00,  0.00,  0.00)
178: 15       ( 96.111, 521.505, -194.221)  ( 96.129, 521.512, -194.178)  ( 0.02,  0.00,  0.02)
178:     bond    (  1.977,   0.804,   3.060)  (  1.996,   0.807,   3.104)  ( 0.92,  0.24,  1.44)
178:     angle   (106.071, 506.715, -199.983)  (106.072, 506.720, -199.984)  ( 0.00,  0.00,  0.00)
178:     torsion (-10.804,  13.214,   3.508)  (-10.804,  13.214,   3.508)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.309,   2.550,  -1.323)  (  0.309,   2.550,  -1.323)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.443,  -1.778,   0.516)  ( -1.443,  -1.778,   0.516)  ( 0.00,  0.00,  0.00)
178: 16       (109.581, 246.406, -35.465)  (109.607, 246.412, -35.461)  ( 0.02,  0.00,  0.01)
178:     bond    ( 69.487, -11.705,  -1.559)  ( 69.514, -11.704,  -1.559)  ( 0.04,  0.01,  0.02)
178:     angle   ( 43.423, 262.571, -35.069)  ( 43.423, 262.575, -35.066)  ( 0.00,  0.00,  0.01)
178:     torsion (  0.063,   0.120,   1.925)  (  0.063,   0.120,   1.925)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.393,  -4.580,  -0.761)  ( -3.393,  -4.579,  -0.761)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       (174.960, 176.025, -89.335)  (174.964, 176.039, -89.318)  ( 0.00,  0.01,  0.02)
178:     bond    (  0.067,  39.118,  41.485)  (  0.067,  39.131,  41.500)  ( 0.00,  0.03,  0.04)
178:     angle   (176.327, 138.802, -131.168)  (176.330, 138.803, -131.165)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.772,   0.580,  -0.545)  ( -0.772,   0.580,  -0.545)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.661,  -2.475,   0.894)  ( -0.661,  -2.474,   0.894)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (251.139, 191.328, 100.736)  (251.143, 191.342, 100.754)  ( 0.00,  0.01,  0.02)
178:     bond    (  2.181,  42.689, -46.478)  (  2.182,  42.701, -46.463)  ( 0.01,  0.03,  0.03)
178:     angle   (253.610, 151.426, 151.075)  (253.614, 151.427, 151.078)  ( 0.00,  0.00,  0.00)
178:     torsion (  1.057,  -0.932,  -0.807)  (  1.057,  -0.932,  -0.807)  ( 0.01,  0.01,  0.00)
178:     vdw     ( -5.709,  -1.855,  -3.054)  ( -5.709,  -1.855,  -3.054)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 33.317,  57.884,  90.759)  ( 33.324,  57.892,  90.779)  ( 0.02,  0.01,  0.02)
178:     bond    ( 24.015, -31.052,  60.780)  ( 24.018, -31.047,  60.800)  ( 0.01,  0.02,  0.03)
178:     angle   ( 17.910,  79.100,  33.317)  ( 17.912,  79.103,  33.317)  ( 0.01,  0.00,  0.00)
178:     torsion (  2.826,  -0.063,  -1.148)  (  2.826,  -0.063,  -1.148)  ( 0.01,  0.00,  0.01)
178:     vdw     (-11.433,   9.899,  -2.189)  (-11.432,   9.899,  -2.189)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (112.100,  65.862,  54.803)  (112.104,  65.873,  54.824)  ( 0.00,  0.02,  0.04)
178:     bond    (  1.245,  49.479,  76.160)  (  1.245,  49.487,  76.180)  ( 0.03,  0.02,  0.03)
178:     angle   (100.726,  19.307, -14.190)  (100.729,  19.309, -14.189)  ( 0.00,  0.01,  0.01)
178:     torsion (  1.154,   1.529,  -1.012)  (  1.154,   1.529,  -1.012)  ( 0.00,  0.01,  0.00)
178:     vdw     (  8.974,  -4.452,  -6.155)  (  8.975,  -4.452,  -6.155)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (-71.223, -54.362, -54.764)  (-71.217, -54.338, -54.760)  ( 0.01,  0.04,  0.01)
178:     bond    (-26.461, -65.057,  11.205)  (-26.457, -65.034,  11.206)  ( 0.02,  0.04,  0.01)
178:     angle   (-46.537,   7.124, -68.522)  (-46.535,   7.124, -68.519)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.326,   0.906,   4.487)  ( -0.326,   0.906,   4.487)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.100,   2.666,  -1.934)  (  2.101,   2.666,  -1.934)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-68.853, -136.453, -261.776)  (-68.828, -136.448, -261.770)  ( 0.04,  0.00,  0.00)
178:     bond    ( 54.419, -15.692, -19.606)  ( 54.442, -15.690, -19.603)  ( 0.04,  0.01,  0.02)
178:     angle   (-123.941, -124.844, -244.293)  (-123.939, -124.841, -244.290)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.075,   0.834,  -0.459)  (  0.075,   0.834,  -0.459)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.594,   3.249,   2.581)  (  0.594,   3.249,   2.582)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( 75.683, -117.846, -173.470)  ( 75.689, -117.836, -173.450)  ( 0.01,  0.01,  0.01)
178:     bond    (-20.746,  33.175, -62.178)  (-20.744,  33.181, -62.158)  ( 0.01,  0.02,  0.03)
178:     angle   ( 97.257, -154.243, -114.792)  ( 97.260, -154.239, -114.792)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.481,  -0.245,   0.030)  ( -0.481,  -0.245,   0.030)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.346,   3.467,   3.470)  ( -0.346,   3.467,   3.470)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (105.149, -66.430, -206.326)  (105.157, -66.407, -206.322)  ( 0.01,  0.03,  0.00)
178:     bond    (-19.670, -43.647,  -7.176)  (-19.665, -43.624,  -7.175)  ( 0.02,  0.05,  0.01)
178:     angle   (126.570, -23.893, -201.648)  (126.573, -23.893, -201.644)  ( 0.00,  0.00,  0.00)
178:     torsion (  0.145,  -0.078,   0.078)  (  0.145,  -0.078,   0.078)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.896,   1.189,   2.419)  ( -1.896,   1.189,   2.419)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (-44.220,  12.148,  -7.731)  (-44.210,  12.167,  -7.724)  ( 0.02,  0.16,  0.08)
178:     bond    ( -3.943,  -6.899,   3.822)  ( -3.937,  -6.881,   3.827)  ( 0.15,  0.26,  0.14)
178:     angle   (-38.340,  11.268, -19.179)  (-38.337,  11.269, -19.179)  ( 0.01,  0.01,  0.00)
178:     torsion ( -2.978,   6.930,   9.397)  ( -2.978,   6.930,   9.397)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.663,   0.445,  -1.262)  (  1.663,   0.445,  -1.262)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.622,   0.404,  -0.508)  ( -0.622,   0.404,  -0.508)  ( 0.00,  0.00,  0.00)
178: 26       ( 18.457, -48.202,   0.427)  ( 18.480, -48.196,   0.433)  ( 0.12,  0.01,  0.25)
178:     bond    (  3.862,   0.983,   1.869)  (  3.884,   0.985,   1.875)  ( 0.58,  0.14,  0.28)
178:     angle   ( -7.815, -37.552,  35.916)  ( -7.815, -37.548,  35.917)  ( 0.00,  0.01,  0.00)
178:     torsion ( 20.997,  -8.192, -39.206)  ( 20.997,  -8.192, -39.206)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.854,  -2.630,   1.421)  (  0.854,  -2.630,   1.421)  ( 0.00,  0.00,  0.00)
178:     electro (  0.559,  -0.810,   0.426)  (  0.559,  -0.810,   0.426)  ( 0.00,  0.00,  0.00)
178: 27       (-29.738,  40.590,   5.549)  (-29.733,  40.591,   5.577)  ( 0.02,  0.00,  0.50)
178:     bond    ( -1.957,   0.297,  -8.240)  ( -1.955,   0.297,  -8.213)  ( 0.08,  0.00,  0.33)
178:     angle   (-21.621,  52.996,   7.064)  (-21.618,  52.998,   7.064)  ( 0.01,  0.00,  0.00)
178:     torsion (-11.269, -11.104,   2.280)  (-11.269, -11.104,   2.281)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.798,  -0.733,   3.981)  (  3.798,  -0.733,   3.981)  ( 0.00,  0.00,  0.00)
178:     electro (  1.311,  -0.867,   0.464)  (  1.311,  -0.867,   0.464)  ( 0.00,  0.00,  0.00)
178: 28       (-136.891, 245.087, -127.495)  (-136.870, 245.092, -127.486)  ( 0.02,  0.00,  0.01)
178:     bond    ( -4.603,  -0.834,   3.102)  ( -4.584,  -0.834,   3.111)  ( 0.42,  0.05,  0.29)
178:     angle   (-130.627, 233.442, -129.868)  (-130.626, 233.446, -129.868)  ( 0.00,  0.00,  0.00)
178:     torsion ( -3.357,  13.709,  -1.271)  ( -3.357,  13.709,  -1.271)  ( 0.00,  0.00,  0.01)
178:     vdw     (  2.285,  -1.520,   1.199)  (  2.285,  -1.520,   1.199)  ( 0.01,  0.01,  0.01)
178:     electro ( -0.589,   0.290,  -0.657)  ( -0.589,   0.290,  -0.657)  ( 0.00,  0.00,  0.00)
178: 29       ( 62.680,  48.907,  79.728)  ( 62.701,  48.917,  79.731)  ( 0.03,  0.02,  0.00)
178:     bond    ( 82.859,  48.522,  11.969)  ( 82.880,  48.529,  11.970)  ( 0.02,  0.02,  0.01)
178:     angle   (-15.838,   8.500,  75.187)  (-15.837,   8.502,  75.190)  ( 0.01,  0.03,  0.00)
178:     torsion (  1.056,  -1.007,  -3.232)  (  1.056,  -1.007,  -3.232)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -5.397,  -7.108,  -4.197)  ( -5.397,  -7.108,  -4.197)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (-75.889,  12.904, 204.837)  (-75.885,  12.931, 204.841)  ( 0.01,  0.21,  0.00)
178:     bond    ( -7.796,  60.835,  11.399)  ( -7.795,  60.862,  11.401)  ( 0.01,  0.04,  0.01)
178:     angle   (-73.100, -46.077, 195.991)  (-73.097, -46.076, 195.995)  ( 0.00,  0.00,  0.00)
178:     torsion (  2.398,   0.066,   1.288)  (  2.398,   0.066,   1.288)  ( 0.01,  0.00,  0.00)
178:     vdw     (  2.608,  -1.920,  -3.842)  (  2.609,  -1.920,  -3.842)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (-117.716,  90.678, 152.303)  (-117.707,  90.684, 152.325)  ( 0.01,  0.01,  0.01)
178:     bond    ( 27.141, -14.457,  53.610)  ( 27.147, -14.455,  53.631)  ( 0.02,  0.01,  0.04)
178:     angle   (-146.486, 105.766, 102.653)  (-146.482, 105.769, 102.653)  ( 0.00,  0.00,  0.00)
178:     torsion ( -0.366,  -0.637,   0.013)  ( -0.366,  -0.637,   0.013)  ( 0.00,  0.01,  0.00)
178:     vdw     (  1.994,   0.006,  -3.973)  (  1.994,   0.006,  -3.973)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       (-50.224,  82.100, 196.063)  (-50.199,  82.107, 196.068)  ( 0.05,  0.01,  0.00)
178:     bond    (-55.346, -19.687,  12.099)  (-55.323, -19.684,  12.101)  ( 0.04,  0.02,  0.01)
178:     angle   (  4.679, 101.096, 185.844)  (  4.679, 101.100, 185.848)  ( 0.01,  0.00,  0.00)
178:     torsion ( -0.331,   0.679,  -0.408)  ( -0.331,   0.679,  -0.408)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.775,   0.012,  -1.473)  (  0.775,   0.012,  -1.473)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       (408.847, -165.313, -419.480)  (408.832, -165.278, -419.494)  ( 0.00,  0.02,  0.00)
178:     bond    ( 49.599, 130.501, -58.048)  ( 49.604, 130.533, -58.041)  ( 0.01,  0.02,  0.01)
178:     angle   (371.322, -295.799, -347.892)  (371.314, -295.795, -347.900)  ( 0.00,  0.00,  0.00)
178:     torsion (-12.248,  -0.841, -12.358)  (-12.260,  -0.841, -12.370)  ( 0.10,  0.00,  0.10)
178:     vdw     ( -1.245,  -1.183,  -0.414)  ( -1.245,  -1.183,  -0.414)  ( 0.00,  0.00,  0.00)
178:     electro (  1.420,   2.008,  -0.769)  (  1.420,   2.008,  -0.769)  ( 0.00,  0.00,  0.00)
178: ok 30 # gradients 
178: ok 31 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       ( 46.073, -53.603,   1.779)  ( 46.121, -53.554,   1.827)  ( 0.11,  0.09,  2.70)
178:     bond    ( 56.033,   2.173,  18.600)  ( 56.070,   2.210,  18.636)  ( 0.06,  1.67,  0.20)
178:     angle   ( -7.353, -49.796,  -8.847)  ( -7.340, -49.783,  -8.836)  ( 0.17,  0.03,  0.13)
178:     torsion (  0.938,   1.611,  -3.622)  (  0.938,   1.611,  -3.621)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -3.546,  -7.591,  -4.351)  ( -3.546,  -7.591,  -4.351)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (141.043, 179.752, 117.469)  (141.110, 179.826, 117.486)  ( 0.05,  0.04,  0.01)
178:     bond    ( 77.454, 158.423,  80.136)  ( 77.508, 158.488,  80.147)  ( 0.07,  0.04,  0.01)
178:     angle   ( 65.044,  21.210,  39.213)  ( 65.057,  21.218,  39.216)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.130,   0.532,  -2.605)  (  0.131,   0.533,  -2.601)  ( 0.00,  0.02,  0.13)
178:     vdw     ( -1.646,  -0.358,   0.422)  ( -1.646,  -0.358,   0.422)  ( 0.01,  0.00,  0.00)
178:     electro (  0.060,  -0.055,   0.302)  (  0.060,  -0.055,   0.302)  ( 0.00,  0.00,  0.00)
178:  3       ( -8.226, -36.206,  -9.656)  ( -8.220, -36.181,  -9.652)  ( 0.07,  0.07,  0.04)
178:     bond    (-11.345, -33.468,   2.727)  (-11.342, -33.443,   2.727)  ( 0.02,  0.07,  0.00)
178:     angle   (  5.420,  -2.848, -12.376)  (  5.423,  -2.848, -12.372)  ( 0.06,  0.01,  0.03)
178:     torsion (  0.012,  -0.008,  -0.042)  (  0.012,  -0.008,  -0.042)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.313,   0.117,   0.035)  ( -2.313,   0.117,   0.035)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-33.035,  14.265,  14.129)  (-33.023,  14.277,  14.141)  ( 0.04,  0.08,  0.09)
178:     bond    (-20.220,  20.248,  21.069)  (-20.211,  20.257,  21.079)  ( 0.04,  0.04,  0.05)
178:     angle   ( 14.957,  14.055,   0.831)  ( 14.959,  14.057,   0.834)  ( 0.01,  0.02,  0.20)
178:     torsion ( -0.004,  -0.021,   0.016)  ( -0.004,  -0.021,   0.016)  ( 0.00,  0.00,  0.00)
178:     vdw     (-27.768, -20.017,  -7.788)  (-27.767, -20.016,  -7.788)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       ( -9.060,   9.846, -36.923)  ( -9.057,   9.853, -36.898)  ( 0.04,  0.06,  0.07)
178:     bond    ( -3.550,  11.947, -36.602)  ( -3.550,  11.950, -36.577)  ( 0.00,  0.02,  0.07)
178:     angle   ( -5.400,  -2.196,  -0.193)  ( -5.397,  -2.193,  -0.193)  ( 0.06,  0.17,  0.01)
178:     torsion ( -0.006,   0.045,   0.015)  ( -0.006,   0.045,   0.015)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.104,   0.051,  -0.143)  ( -0.104,   0.051,  -0.143)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (-51.563,  32.405,   2.018)  (-51.534,  32.444,   2.022)  ( 0.06,  0.12,  0.19)
178:     bond    (-36.513,  43.141,   9.825)  (-36.486,  43.178,   9.827)  ( 0.07,  0.09,  0.02)
178:     angle   ( -8.815,  -6.178,  -5.581)  ( -8.812,  -6.177,  -5.580)  ( 0.03,  0.02,  0.01)
178:     torsion (  1.264,   1.990,  -4.052)  (  1.264,   1.990,  -4.051)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -7.339,  -7.843,   1.278)  ( -7.339,  -7.842,   1.278)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.160,   1.295,   0.548)  ( -0.160,   1.295,   0.548)  ( 0.00,  0.00,  0.00)
178:  7       ( 18.571, -115.444,  31.887)  ( 18.626, -115.390,  31.906)  ( 0.30,  0.05,  0.06)
178:     bond    (103.923, -105.456,  11.336)  (103.966, -105.413,  11.349)  ( 0.04,  0.04,  0.11)
178:     angle   (-80.727,   4.516, -18.236)  (-80.715,   4.528, -18.234)  ( 0.01,  0.25,  0.01)
178:     torsion ( -7.906, -15.760,  38.484)  ( -7.906, -15.760,  38.488)  ( 0.00,  0.00,  0.01)
178:     vdw     (  3.828,   0.979,   1.088)  (  3.829,   0.979,   1.088)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.547,   0.276,  -0.785)  ( -0.547,   0.276,  -0.785)  ( 0.00,  0.00,  0.00)
178:  8       ( 98.492,  -8.381,  -8.747)  ( 98.510,  -8.365,  -8.743)  ( 0.02,  0.18,  0.04)
178:     bond    ( 57.396, -52.111, -14.395)  ( 57.412, -52.098, -14.394)  ( 0.03,  0.02,  0.01)
178:     angle   ( 15.918,  14.631,  10.536)  ( 15.920,  14.633,  10.537)  ( 0.01,  0.01,  0.01)
178:     torsion (  1.353,   5.680, -15.166)  (  1.353,   5.681, -15.165)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 23.274,  24.518,  10.059)  ( 23.275,  24.518,  10.059)  ( 0.00,  0.00,  0.00)
178:     electro (  0.550,  -1.099,   0.220)  (  0.550,  -1.099,   0.220)  ( 0.00,  0.00,  0.00)
178:  9       (-196.889, -140.673, 168.386)  (-196.834, -140.622, 168.422)  ( 0.03,  0.04,  0.02)
178:     bond    (-117.027, -220.319,  72.628)  (-116.983, -220.279,  72.656)  ( 0.04,  0.02,  0.04)
178:     angle   (-63.685,  98.264, 121.297)  (-63.675,  98.275, 121.304)  ( 0.02,  0.01,  0.01)
178:     torsion (-17.120, -19.452, -26.178)  (-17.120, -19.452, -26.178)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.943,   0.833,   0.640)  (  0.943,   0.833,   0.640)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 10       (232.993, -84.406,   3.415)  (233.034, -84.370,   3.466)  ( 0.02,  0.04,  1.50)
178:     bond    ( 65.211,   0.399, 148.702)  ( 65.240,   0.426, 148.746)  ( 0.04,  1.07,  0.03)
178:     angle   (177.340, -80.008, -125.110)  (177.352, -79.999, -125.103)  ( 0.01,  0.01,  0.01)
178:     torsion (-11.166,  -6.616, -21.328)  (-11.166,  -6.616, -21.328)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.608,   1.819,   1.151)  (  1.608,   1.819,   1.151)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (-254.765, 436.986, -67.608)  (-254.707, 437.012, -67.559)  ( 0.02,  0.01,  0.07)
178:     bond    (-120.639, 134.169,  15.514)  (-120.591, 134.184,  15.547)  ( 0.04,  0.01,  0.21)
178:     angle   (-167.688, 157.180, -45.457)  (-167.679, 157.192, -45.442)  ( 0.01,  0.01,  0.03)
178:     torsion ( 33.886, 145.372, -37.446)  ( 33.886, 145.371, -37.446)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.324,   0.265,  -0.218)  ( -0.324,   0.265,  -0.218)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-22.088, -22.217, -29.969)  (-22.084, -22.208, -29.948)  ( 0.02,  0.04,  0.07)
178:     bond    ( -6.016, -21.410, -36.088)  ( -6.016, -21.403, -36.068)  ( 0.01,  0.03,  0.06)
178:     angle   (-30.444,  -0.957,   5.643)  (-30.441,  -0.955,   5.644)  ( 0.01,  0.19,  0.01)
178:     torsion (  4.110,  -6.214,   3.002)  (  4.110,  -6.214,   3.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 10.262,   6.364,  -2.526)  ( 10.262,   6.364,  -2.526)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 13       (  8.293, -133.079,  62.973)  (  8.310, -133.062,  62.979)  ( 0.21,  0.01,  0.01)
178:     bond    ( 30.933, -138.777,  61.028)  ( 30.949, -138.763,  61.031)  ( 0.05,  0.01,  0.01)
178:     angle   (-18.060,  -2.085, -16.096)  (-18.059,  -2.083, -16.093)  ( 0.01,  0.13,  0.02)
178:     torsion ( -2.188,   6.410,  20.016)  ( -2.188,   6.410,  20.016)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.392,   1.374,  -1.975)  ( -2.392,   1.374,  -1.975)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 14       (148.340, -196.719, -384.370)  (148.378, -196.698, -384.273)  ( 0.03,  0.01,  0.03)
178:     bond    ( 78.126, 114.902, -393.965)  ( 78.154, 114.917, -393.878)  ( 0.04,  0.01,  0.02)
178:     angle   ( 98.473, -242.933,  -3.874)  ( 98.482, -242.926,  -3.865)  ( 0.01,  0.00,  0.23)
178:     torsion (-17.678, -65.927,  16.403)  (-17.677, -65.926,  16.404)  ( 0.00,  0.00,  0.00)
178:     vdw     (-11.821,  -1.517,  -2.824)  (-11.820,  -1.517,  -2.824)  ( 0.00,  0.00,  0.00)
178:     electro (  1.239,  -1.245,  -0.111)  (  1.239,  -1.245,  -0.111)  ( 0.00,  0.00,  0.00)
178: 15       ( 55.040,  12.071,   3.767)  ( 55.044,  12.097,   3.772)  ( 0.01,  0.21,  0.11)
178:     bond    (  0.427,  11.115,   3.347)  (  0.427,  11.140,   3.349)  ( 0.00,  0.23,  0.07)
178:     angle   ( 47.344,  -0.958,  -2.857)  ( 47.348,  -0.958,  -2.855)  ( 0.01,  0.02,  0.07)
178:     torsion (  3.463,  -0.198,   0.216)  (  3.463,  -0.198,   0.216)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.806,   2.112,   3.061)  (  3.806,   2.112,   3.061)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       (-38.258,  87.065, 123.842)  (-38.253,  87.068, 123.903)  ( 0.01,  0.00,  0.05)
178:     bond    (-23.671, -14.717, 113.273)  (-23.669, -14.716, 113.334)  ( 0.01,  0.00,  0.05)
178:     angle   (-29.611,  71.263,   3.070)  (-29.608,  71.265,   3.070)  ( 0.01,  0.00,  0.00)
178:     torsion ( 19.803,  30.719,   8.124)  ( 19.803,  30.720,   8.125)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.022,  -0.700,  -0.473)  ( -4.022,  -0.700,  -0.473)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.757,   0.500,  -0.153)  ( -0.757,   0.500,  -0.153)  ( 0.00,  0.00,  0.00)
178: 17       (-124.922, 160.182, -83.462)  (-124.880, 160.221, -83.420)  ( 0.03,  0.02,  0.05)
178:     bond    (-131.449,  83.564, -63.177)  (-131.416,  83.592, -63.143)  ( 0.03,  0.03,  0.05)
178:     angle   (  8.025,  70.698, -17.007)  (  8.034,  70.708, -16.998)  ( 0.11,  0.01,  0.05)
178:     torsion ( -0.745,   6.167,  -3.535)  ( -0.745,   6.167,  -3.535)  ( 0.03,  0.01,  0.01)
178:     vdw     ( -0.753,  -0.247,   0.257)  ( -0.753,  -0.247,   0.257)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (-94.970, -271.612,  65.923)  (-94.923, -271.564,  65.973)  ( 0.05,  0.02,  0.08)
178:     bond    ( -5.806, -112.325,   7.274)  ( -5.770, -112.289,   7.312)  ( 0.63,  0.03,  0.52)
178:     angle   (-83.027, -71.036,  27.950)  (-83.017, -71.025,  27.962)  ( 0.01,  0.02,  0.04)
178:     torsion ( -3.416, -86.985,  30.001)  ( -3.416, -86.985,  30.001)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -2.720,  -1.265,   0.697)  ( -2.720,  -1.265,   0.697)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 47.998, -93.172, -63.432)  ( 48.047, -93.123, -63.383)  ( 0.10,  0.05,  0.08)
178:     bond    (  3.510,   0.952,  -4.414)  (  3.546,   0.988,  -4.377)  ( 1.03,  3.45,  0.83)
181:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
181:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
181:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
181:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
181:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
181:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
181:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
181:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
181:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
181:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
181:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
181:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
178:     angle   ( 50.607, -90.344, -54.175)  ( 50.619, -90.331, -54.163)  ( 0.02,  0.01,  0.02)
178:     torsion ( -4.961,  -2.567,  -0.636)  ( -4.961,  -2.567,  -0.636)  ( 0.01,  0.01,  0.02)
178:     vdw     ( -1.158,  -1.212,  -4.207)  ( -1.158,  -1.212,  -4.207)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (104.993,  46.842,  70.465)  (105.043,  46.890,  70.514)  ( 0.05,  0.10,  0.07)
178:     bond    ( 17.708,  15.746,  11.019)  ( 17.745,  15.782,  11.055)  ( 0.21,  0.23,  0.33)
178:     angle   ( 78.058,  33.218,  62.190)  ( 78.070,  33.230,  62.202)  ( 0.02,  0.04,  0.02)
178:     torsion (  6.126,  -5.883,  -3.243)  (  6.126,  -5.883,  -3.243)  ( 0.00,  0.01,  0.01)
178:     vdw     (  3.102,   3.761,   0.500)  (  3.102,   3.761,   0.500)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (146.255, 149.536, 151.376)  (146.280, 149.618, 151.417)  ( 0.02,  0.05,  0.03)
178:     bond    ( 40.147, 106.784,  65.656)  ( 40.166, 106.856,  65.689)  ( 0.05,  0.07,  0.05)
178:     angle   ( 96.179,  38.674,  82.359)  ( 96.185,  38.684,  82.366)  ( 0.01,  0.03,  0.01)
178:     torsion ( 15.474,   5.590,  -2.941)  ( 15.475,   5.590,  -2.940)  ( 0.01,  0.00,  0.02)
178:     vdw     ( -4.952,  -1.638,   6.182)  ( -4.952,  -1.638,   6.183)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.594,   0.125,   0.119)  ( -0.594,   0.125,   0.119)  ( 0.00,  0.00,  0.00)
178: 22       ( 14.363,  24.556,  -5.998)  ( 14.367,  24.566,  -5.977)  ( 0.03,  0.04,  0.35)
178:     bond    ( -0.141,   0.953,   1.628)  ( -0.140,   0.960,   1.649)  ( 0.00,  0.67,  1.27)
178:     angle   ( 20.638,  18.771,  -9.175)  ( 20.641,  18.773,  -9.175)  ( 0.01,  0.01,  0.01)
178:     torsion ( -8.277,   7.711,  -5.195)  ( -8.277,   7.711,  -5.195)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.141,  -2.878,   6.744)  (  2.142,  -2.878,   6.745)  ( 0.04,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       (-57.516, -332.950, -98.332)  (-57.497, -332.903, -98.310)  ( 0.03,  0.01,  0.02)
178:     bond    (-19.487, -259.679, -59.892)  (-19.470, -259.639, -59.873)  ( 0.08,  0.02,  0.03)
178:     angle   (-31.577, -68.046, -46.314)  (-31.575, -68.039, -46.312)  ( 0.00,  0.01,  0.00)
178:     torsion ( -9.292,  -1.338,   8.076)  ( -9.291,  -1.338,   8.077)  ( 0.01,  0.00,  0.01)
178:     vdw     (  2.462,  -4.002,  -0.004)  (  2.462,  -4.001,  -0.004)  ( 0.00,  0.00,  0.00)
178:     electro (  0.378,   0.115,  -0.199)  (  0.378,   0.115,  -0.199)  ( 0.00,  0.00,  0.00)
178: 24       ( -1.382, -37.977,   2.868)  ( -1.368, -37.964,   2.876)  ( 0.97,  0.04,  0.30)
178:     bond    ( 15.002, -14.886,  10.387)  ( 15.013, -14.875,  10.392)  ( 0.07,  0.07,  0.05)
178:     angle   (-18.866, -26.610, -10.838)  (-18.864, -26.608, -10.835)  ( 0.01,  0.01,  0.03)
178:     torsion ( -0.221,   0.010,   0.333)  ( -0.221,   0.010,   0.333)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.704,   3.510,   2.986)  (  2.704,   3.510,   2.986)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (-11.589,   7.655, -36.391)  (-11.578,   7.666, -36.377)  ( 0.09,  0.15,  0.04)
178:     bond    ( 10.819,  11.402, -12.976)  ( 10.827,  11.411, -12.965)  ( 0.07,  0.08,  0.09)
178:     angle   (-25.163,  -7.263, -27.403)  (-25.160,  -7.260, -27.400)  ( 0.01,  0.04,  0.01)
178:     torsion (  0.025,  -0.031,  -0.006)  (  0.025,  -0.031,  -0.006)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.729,   3.546,   3.994)  (  2.729,   3.546,   3.994)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (-35.365,  12.544,   1.991)  (-35.358,  12.557,   2.007)  ( 0.02,  0.10,  0.80)
178:     bond    ( -7.469,  12.487,  14.722)  ( -7.466,  12.497,  14.736)  ( 0.05,  0.08,  0.10)
178:     angle   (-36.168,  -7.559, -11.915)  (-36.165,  -7.556, -11.913)  ( 0.01,  0.03,  0.02)
178:     torsion ( -0.050,   0.462,  -0.417)  ( -0.049,   0.462,  -0.417)  ( 0.00,  0.00,  0.00)
178:     vdw     (  8.322,   7.154,  -0.399)  (  8.322,   7.154,  -0.399)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (  4.763,  -9.346,  37.404)  (  4.777,  -9.332,  37.411)  ( 0.31,  0.15,  0.02)
178:     bond    ( 14.702, -14.220,   7.906)  ( 14.714, -14.208,   7.909)  ( 0.08,  0.08,  0.04)
178:     angle   (-10.743,   9.005,  36.160)  (-10.741,   9.007,  36.163)  ( 0.02,  0.02,  0.01)
178:     torsion ( -1.890,  -1.759,   0.357)  ( -1.890,  -1.759,   0.357)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.694,  -2.372,  -7.018)  (  2.694,  -2.372,  -7.018)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (-42.977,   6.178,   6.639)  (-42.962,   6.188,   6.648)  ( 0.04,  0.17,  0.14)
178:     bond    (-16.447, -12.459, -11.230)  (-16.434, -12.451, -11.224)  ( 0.08,  0.06,  0.06)
178:     angle   (-29.289,  19.160,  21.622)  (-29.287,  19.162,  21.625)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.328,   1.908,  -1.636)  ( -0.328,   1.908,  -1.636)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.087,  -2.431,  -2.117)  (  3.087,  -2.431,  -2.117)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       ( -7.405,  39.134,  -1.182)  ( -7.395,  39.145,  -1.167)  ( 0.13,  0.03,  1.25)
178:     bond    (  8.732,  10.230, -12.436)  (  8.739,  10.238, -12.423)  ( 0.07,  0.08,  0.10)
178:     angle   (-18.082,  33.209,  14.652)  (-18.079,  33.212,  14.654)  ( 0.02,  0.01,  0.01)
178:     torsion (  1.576,  -0.176,   0.963)  (  1.576,  -0.176,   0.963)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.370,  -4.129,  -4.362)  (  0.370,  -4.129,  -4.361)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       ( -0.063, 275.793,  24.986)  ( -0.057, 275.833,  24.991)  ( 0.04,  0.01,  0.02)
178:     bond    (-61.451, 258.293, -33.425)  (-61.448, 258.332, -33.423)  ( 0.01,  0.02,  0.01)
178:     angle   ( 35.883,  14.142,  43.329)  ( 35.884,  14.142,  43.330)  ( 0.00,  0.00,  0.00)
178:     torsion (  8.079,   1.013,  -7.023)  (  8.080,   1.013,  -7.022)  ( 0.01,  0.00,  0.01)
178:     vdw     ( 20.022,   2.547,  24.873)  ( 20.022,   2.547,  24.873)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.595,  -0.201,  -2.767)  ( -2.595,  -0.201,  -2.767)  ( 0.00,  0.00,  0.00)
178: 31       (-77.921,  40.028, -66.070)  (-77.916,  40.077, -66.053)  ( 0.01,  0.12,  0.03)
178:     bond    (  0.512,   2.123,   1.160)  (  0.515,   2.172,   1.174)  ( 0.14,  2.27,  1.22)
178:     angle   (-49.362,  40.654, -53.541)  (-49.360,  40.655, -53.539)  ( 0.00,  0.00,  0.00)
178:     torsion (-10.996,  -2.287,   9.050)  (-10.996,  -2.287,   9.050)  ( 0.00,  0.00,  0.00)
178:     vdw     (-20.501,  -0.752, -25.565)  (-20.501,  -0.752, -25.565)  ( 0.00,  0.00,  0.00)
178:     electro (  2.426,   0.290,   2.826)  (  2.426,   0.290,   2.826)  ( 0.00,  0.00,  0.00)
178: ok 32 # gradients 
178: ok 33 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (-115.635,  21.736,   0.189)  (-115.570,  21.769,   0.261)  ( 0.06,  0.15,  1.36)
178:     bond    (-155.155,  29.198,   0.313)  (-155.106,  29.225,   0.374)  ( 0.03,  0.09,  1.92)
178:     angle   ( 44.402,  -8.380,  -0.123)  ( 44.417,  -8.375,  -0.113)  ( 0.03,  0.06,  0.12)
178:     torsion (  0.002,   0.003,  -0.004)  (  0.002,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -4.883,   0.914,   0.003)  ( -4.883,   0.914,   0.003)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       ( 89.152,  70.487, 132.498)  ( 89.246,  70.510, 132.551)  ( 0.11,  0.03,  0.04)
178:     bond    (124.343,  54.798, 117.293)  (124.423,  54.815, 117.335)  ( 0.06,  0.03,  0.04)
178:     angle   (-29.725,  15.057,  14.214)  (-29.711,  15.062,  14.224)  ( 0.05,  0.03,  0.07)
178:     torsion ( -0.151,  -0.795,   0.529)  ( -0.151,  -0.793,   0.530)  ( 0.00,  0.15,  0.05)
178:     vdw     ( -5.315,   1.427,   0.461)  ( -5.315,   1.427,   0.461)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-39.154, -178.592, -284.443)  (-39.068, -178.560, -284.388)  ( 0.22,  0.02,  0.02)
178:     bond    (-12.756, -187.831, -286.760)  (-12.680, -187.806, -286.714)  ( 0.59,  0.01,  0.02)
178:     angle   (-31.273,   4.375,   0.135)  (-31.263,   4.379,   0.144)  ( 0.03,  0.11,  0.12)
178:     torsion (  0.549,   2.943,  -1.961)  (  0.549,   2.945,  -1.961)  ( 0.00,  0.06,  0.04)
178:     vdw     (  4.325,   1.921,   4.143)  (  4.325,   1.921,   4.143)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-335.251,  62.938,   0.691)  (-335.166,  62.974,   0.761)  ( 0.03,  0.06,  4.83)
178:     bond    (-352.029,  66.166,   0.717)  (-351.957,  66.195,   0.779)  ( 0.02,  0.04,  4.44)
178:     angle   ( 14.375,  -2.725,  -0.053)  ( 14.387,  -2.720,  -0.046)  ( 0.08,  0.18,  0.04)
178:     torsion ( -0.006,  -0.053,   0.030)  ( -0.006,  -0.051,   0.031)  ( 0.00,  0.01,  0.00)
178:     vdw     (  2.409,  -0.450,  -0.003)  (  2.409,  -0.450,  -0.003)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       ( 27.195, 180.390, 283.496)  ( 27.286, 180.416, 283.552)  ( 0.33,  0.01,  0.02)
178:     bond    ( 55.263, 179.325, 285.907)  ( 55.344, 179.345, 285.953)  ( 0.15,  0.01,  0.02)
178:     angle   (-30.880,   7.204,  -0.115)  (-30.869,   7.209,  -0.105)  ( 0.03,  0.07,  0.11)
178:     torsion ( -0.520,  -2.785,   1.852)  ( -0.520,  -2.783,   1.852)  ( 0.00,  0.06,  0.04)
178:     vdw     (  3.332,  -3.355,  -4.148)  (  3.332,  -3.355,  -4.148)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       ( 58.413, -98.539, -133.073)  ( 58.501, -98.509, -133.020)  ( 0.15,  0.03,  0.04)
178:     bond    ( 96.824, -96.564, -117.957)  ( 96.897, -96.541, -117.916)  ( 0.08,  0.02,  0.04)
178:     angle   (-33.075,  -3.298, -14.167)  (-33.061,  -3.294, -14.157)  ( 0.04,  0.14,  0.07)
178:     torsion (  0.134,   0.729,  -0.489)  (  0.134,   0.731,  -0.488)  ( 0.00,  0.14,  0.04)
178:     vdw     ( -5.469,   0.595,  -0.460)  ( -5.469,   0.595,  -0.460)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (101.790, -18.208,  -0.641)  (101.875, -18.136,  -0.611)  ( 0.08,  0.40,  1.91)
178:     bond    (101.062, -18.055,  -0.655)  (101.135, -17.991,  -0.631)  ( 0.07,  0.35,  1.52)
178:     angle   (  0.148,  -0.048,   0.023)  (  0.161,  -0.040,   0.028)  ( 0.18,  0.04,  0.01)
178:     torsion ( -0.000,  -0.002,   0.001)  ( -0.000,  -0.002,   0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.581,  -0.104,  -0.010)  (  0.581,  -0.103,  -0.010)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (-138.785, -13.091,  23.815)  (-138.689, -13.035,  23.838)  ( 0.07,  0.42,  0.10)
178:     bond    (-140.778,   3.720,  13.499)  (-140.696,   3.765,  13.516)  ( 0.06,  1.22,  0.13)
178:     angle   (  6.594, -24.351,  13.745)  (  6.606, -24.342,  13.748)  ( 0.19,  0.04,  0.02)
178:     torsion (  0.047,   0.249,   0.418)  (  0.047,   0.250,   0.420)  ( 0.00,  0.02,  0.09)
178:     vdw     ( -4.485,   7.790,  -4.162)  ( -4.485,   7.790,  -4.162)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.162,  -0.498,   0.315)  ( -0.162,  -0.498,   0.315)  ( 0.00,  0.00,  0.00)
178:  9       (299.960, -16.422, -23.891)  (300.048, -16.362, -23.869)  ( 0.03,  0.36,  0.09)
178:     bond    (133.911, -45.712,  12.147)  (133.988, -45.663,  12.163)  ( 0.06,  0.11,  0.13)
178:     angle   (160.936,  23.671, -32.124)  (160.948,  23.681, -32.121)  ( 0.01,  0.04,  0.01)
178:     torsion ( -0.001,  -0.006,  -0.011)  ( -0.001,  -0.006,  -0.009)  ( 0.00,  0.00,  0.00)
178:     vdw     (  5.102,   6.209,  -4.249)  (  5.102,   6.209,  -4.249)  ( 0.00,  0.00,  0.00)
178:     electro (  0.012,  -0.584,   0.346)  (  0.012,  -0.584,   0.346)  ( 0.00,  0.00,  0.00)
178: 10       (-233.469,  43.737,   0.095)  (-233.425,  43.797,   0.119)  ( 0.02,  0.14,  0.23)
181:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
181:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
181:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
181:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
181:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 12 # gradients 
181: ok 13 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
178:     bond    (-36.748,   6.966,  -0.083)  (-36.717,   7.023,  -0.062)  ( 0.08,  0.82,  0.18)
178:     angle   (-198.893,  37.174,   0.174)  (-198.881,  37.176,   0.175)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.001,   0.004,   0.006)  (  0.001,   0.004,   0.007)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.172,  -0.406,  -0.002)  (  2.172,  -0.406,  -0.002)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 11       (283.908, -93.274,  23.554)  (284.004, -93.222,  23.576)  ( 0.03,  0.06,  0.09)
178:     bond    (139.738,  -5.983, -12.161)  (139.823,  -5.943, -12.145)  ( 0.06,  0.68,  0.13)
178:     angle   (141.433, -80.187,  31.834)  (141.444, -80.176,  31.838)  ( 0.01,  0.01,  0.01)
178:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.014)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.517,  -7.635,   4.243)  (  2.517,  -7.635,   4.243)  ( 0.00,  0.00,  0.00)
178:     electro (  0.221,   0.540,  -0.346)  (  0.221,   0.540,  -0.346)  ( 0.00,  0.00,  0.00)
178: 12       (-122.480,  60.874, -23.086)  (-122.391,  60.937, -23.063)  ( 0.07,  0.10,  0.10)
178:     bond    (-130.580,  46.096, -12.840)  (-130.504,  46.148, -12.823)  ( 0.06,  0.11,  0.14)
178:     angle   ( 15.105,  20.142, -13.695)  ( 15.117,  20.151, -13.692)  ( 0.08,  0.05,  0.02)
178:     torsion ( -0.045,  -0.242,  -0.407)  ( -0.045,  -0.241,  -0.405)  ( 0.00,  0.02,  0.09)
178:     vdw     ( -6.987,  -5.645,   4.172)  ( -6.987,  -5.645,   4.172)  ( 0.00,  0.00,  0.00)
178:     electro (  0.029,   0.523,  -0.315)  (  0.029,   0.523,  -0.315)  ( 0.00,  0.00,  0.00)
178: 13       ( -9.925,  12.224,  -6.238)  ( -9.911,  12.239,  -6.231)  ( 0.14,  0.12,  0.11)
178:     bond    (  4.051,   4.454,  -3.122)  (  4.061,   4.467,  -3.116)  ( 0.26,  0.28,  0.20)
178:     angle   (-11.210,   7.819,  -3.395)  (-11.207,   7.821,  -3.395)  ( 0.03,  0.02,  0.01)
178:     torsion ( -0.006,  -0.030,  -0.051)  ( -0.006,  -0.030,  -0.050)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.943,  -0.290,   0.399)  ( -1.943,  -0.290,   0.399)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.817,   0.271,  -0.069)  ( -0.817,   0.271,  -0.069)  ( 0.00,  0.00,  0.00)
178: 14       (-58.101,  -7.908,  11.227)  (-58.092,  -7.888,  11.233)  ( 0.02,  0.25,  0.06)
178:     bond    ( -5.451,  10.771,  -5.813)  ( -5.446,  10.790,  -5.808)  ( 0.09,  0.17,  0.09)
178:     angle   (-55.786, -18.776,  17.425)  (-55.782, -18.776,  17.426)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.002,   0.013,   0.021)  (  0.002,   0.013,   0.022)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.316,   0.076,  -0.310)  (  2.316,   0.076,  -0.310)  ( 0.00,  0.00,  0.00)
178:     electro (  0.817,   0.009,  -0.097)  (  0.817,   0.009,  -0.097)  ( 0.00,  0.00,  0.00)
178: 15       ( 76.256,  52.092, 107.712)  ( 76.305,  52.140, 107.761)  ( 0.06,  0.09,  0.05)
178:     bond    ( 35.609,  26.240,  49.457)  ( 35.644,  26.277,  49.494)  ( 0.10,  0.14,  0.07)
178:     angle   ( 39.337,  26.345,  57.041)  ( 39.351,  26.356,  57.052)  ( 0.03,  0.04,  0.02)
178:     torsion ( -0.132,  -0.717,   0.478)  ( -0.132,  -0.716,   0.478)  ( 0.00,  0.02,  0.01)
178:     vdw     (  1.442,   0.223,   0.737)  (  1.442,   0.223,   0.737)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( 44.286,  -8.269,   0.021)  ( 44.306,  -8.267,   0.025)  ( 0.05,  0.03,  0.01)
178:     bond    ( 44.465,  -8.332,  -0.027)  ( 44.486,  -8.331,  -0.027)  ( 0.05,  0.01,  0.00)
178:     angle   (  0.006,   0.030,   0.046)  (  0.006,   0.032,   0.049)  ( 0.00,  0.00,  0.02)
178:     torsion ( -0.001,  -0.003,   0.002)  ( -0.000,  -0.003,   0.002)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.185,   0.035,   0.000)  ( -0.185,   0.035,   0.001)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 17       ( 11.070, -26.992, -37.858)  ( 11.079, -26.985, -37.845)  ( 0.08,  0.03,  0.03)
178:     bond    ( 20.382, -27.254, -35.045)  ( 20.386, -27.248, -35.034)  ( 0.02,  0.02,  0.03)
178:     angle   (  9.567,   1.260,   4.588)  (  9.572,   1.261,   4.589)  ( 0.05,  0.01,  0.02)
178:     torsion ( -0.026,  -0.136,   0.091)  ( -0.026,  -0.136,   0.091)  ( 0.00,  0.00,  0.00)
178:     vdw     (-18.853,  -0.862,  -7.491)  (-18.852,  -0.862,  -7.491)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       ( 51.986, -76.293, -107.219)  ( 52.034, -76.245, -107.170)  ( 0.09,  0.06,  0.05)
178:     bond    ( 23.428, -37.115, -49.146)  ( 23.463, -37.078, -49.109)  ( 0.15,  0.10,  0.08)
178:     angle   ( 27.171, -39.113, -56.891)  ( 27.184, -39.102, -56.879)  ( 0.05,  0.03,  0.02)
178:     torsion (  0.125,   0.664,  -0.443)  (  0.125,   0.664,  -0.443)  ( 0.00,  0.02,  0.01)
178:     vdw     (  1.262,  -0.729,  -0.739)  (  1.262,  -0.729,  -0.739)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       ( 20.224,  21.241,  37.963)  ( 20.235,  21.245,  37.975)  ( 0.06,  0.02,  0.03)
178:     bond    ( 29.019,  18.087,  35.138)  ( 29.026,  18.090,  35.149)  ( 0.03,  0.02,  0.03)
178:     angle   (  8.429,  -4.622,  -4.586)  (  8.432,  -4.621,  -4.585)  ( 0.04,  0.02,  0.02)
178:     torsion (  0.025,   0.137,  -0.092)  (  0.025,   0.138,  -0.092)  ( 0.00,  0.00,  0.00)
178:     vdw     (-17.249,   7.639,   7.504)  (-17.249,   7.639,   7.504)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (-13.482,  -7.871,   6.229)  (-13.474,  -7.850,   6.236)  ( 0.06,  0.26,  0.11)
178:     bond    (  2.196,  -5.711,   3.136)  (  2.199,  -5.691,   3.142)  ( 0.14,  0.35,  0.19)
178:     angle   (-13.116,  -3.204,   3.373)  (-13.111,  -3.203,   3.373)  ( 0.04,  0.01,  0.01)
178:     torsion (  0.005,   0.027,   0.046)  (  0.005,   0.027,   0.046)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.707,   0.973,  -0.396)  ( -1.707,   0.973,  -0.396)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.859,   0.043,   0.071)  ( -0.859,   0.043,   0.071)  ( 0.00,  0.00,  0.00)
178: 21       (-51.233,  28.537, -11.269)  (-51.218,  28.550, -11.263)  ( 0.03,  0.05,  0.06)
178:     bond    ( -8.828,  -7.962,   5.713)  ( -8.815,  -7.951,   5.718)  ( 0.15,  0.13,  0.10)
178:     angle   (-45.295,  37.720, -17.368)  (-45.293,  37.722, -17.368)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.002,  -0.009,  -0.016)  ( -0.002,  -0.009,  -0.015)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.132,  -0.908,   0.306)  (  2.132,  -0.908,   0.306)  ( 0.00,  0.00,  0.00)
178:     electro (  0.759,  -0.304,   0.096)  (  0.759,  -0.304,   0.096)  ( 0.00,  0.00,  0.00)
178: 22       ( 24.108, -32.847,  -9.947)  ( 24.118, -32.831,  -9.938)  ( 0.04,  0.05,  0.10)
178:     bond    ( 14.454, -21.636,  14.894)  ( 14.460, -21.622,  14.901)  ( 0.04,  0.07,  0.05)
178:     angle   (  9.873, -11.881, -26.823)  (  9.876, -11.879, -26.820)  ( 0.03,  0.01,  0.01)
178:     torsion ( -0.023,  -0.003,   0.019)  ( -0.023,  -0.003,   0.019)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.195,   0.672,   1.962)  ( -0.195,   0.672,   1.962)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       ( 27.579,   2.612, -28.301)  ( 27.594,   2.626, -28.294)  ( 0.05,  0.53,  0.02)
178:     bond    ( 19.888,  19.685, -11.092)  ( 19.900,  19.697, -11.088)  ( 0.06,  0.06,  0.03)
178:     angle   (  7.749, -17.983, -18.033)  (  7.752, -17.981, -18.030)  ( 0.03,  0.01,  0.02)
178:     torsion (  0.020,  -0.022,  -0.003)  (  0.020,  -0.022,  -0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.078,   0.933,   0.827)  ( -0.078,   0.933,   0.827)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-28.691,   9.540,   6.093)  (-28.680,   9.549,   6.107)  ( 0.04,  0.10,  0.23)
178:     bond    (-16.080,  13.930,  19.010)  (-16.071,  13.937,  19.022)  ( 0.05,  0.05,  0.06)
178:     angle   (-34.103,  -6.913, -23.751)  (-34.101,  -6.910, -23.749)  ( 0.01,  0.04,  0.01)
178:     torsion (  0.003,   0.026,  -0.016)  (  0.003,   0.026,  -0.016)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 21.489,   2.497,  10.850)  ( 21.489,   2.497,  10.850)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       ( 34.410,  22.071,   9.571)  ( 34.426,  22.081,   9.580)  ( 0.05,  0.04,  0.10)
179:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
179:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.284,  -0.843,  -2.698)  ( -0.304,  -1.685,  -2.039)  ( 0.58, 70.96, 24.42)
179:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
179:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
179:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
179:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
179:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
179:  8       ( -2.332,   4.648,   9.846)  ( -2.311,   5.541,   9.465)  ( 0.92, 19.20,  3.87)
179:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
179:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
179:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
179:  9       (  2.586,  -3.839,  -7.626)  (  2.603,  -4.121,  -7.463)  ( 0.65,  7.34,  2.13)
179:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
179:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
179:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
179: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
179:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
179:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
179:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
179:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
179:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
179:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
179:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
179:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
179:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
179: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
178:     bond    ( 21.393,  15.082, -15.096)  ( 21.407,  15.089, -15.089)  ( 0.06,  0.05,  0.05)
178:     angle   ( 13.456,   7.526,  26.619)  ( 13.458,   7.528,  26.622)  ( 0.02,  0.04,  0.01)
178:     torsion ( -0.019,   0.010,  -0.017)  ( -0.019,   0.010,  -0.017)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.421,  -0.547,  -1.936)  ( -0.421,  -0.546,  -1.936)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 26       (-30.400,   1.530,  -6.272)  (-30.384,   1.535,  -6.258)  ( 0.05,  0.35,  0.23)
178:     bond    (-20.249,  -7.300, -19.136)  (-20.236,  -7.298, -19.124)  ( 0.07,  0.02,  0.06)
178:     angle   (-29.255,  18.971,  23.710)  (-29.253,  18.975,  23.712)  ( 0.01,  0.02,  0.01)
178:     torsion ( -0.006,  -0.023,   0.014)  ( -0.006,  -0.023,   0.014)  ( 0.00,  0.00,  0.00)
178:     vdw     ( 19.109, -10.119, -10.861)  ( 19.110, -10.119, -10.861)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       ( 25.004, -12.499,  28.368)  ( 25.011, -12.478,  28.375)  ( 0.03,  0.17,  0.02)
178:     bond    ( 11.583, -25.719,  11.135)  ( 11.587, -25.699,  11.138)  ( 0.03,  0.08,  0.03)
178:     angle   ( 13.816,  14.065,  18.075)  ( 13.820,  14.066,  18.078)  ( 0.02,  0.01,  0.02)
178:     torsion (  0.024,   0.012,   0.003)  (  0.024,   0.012,   0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.420,  -0.856,  -0.844)  ( -0.420,  -0.856,  -0.844)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 34 # gradients 
178: ok 35 # energy 
178: 
178: V A L I D A T E   G R A D I E N T S
178: 
178: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
178: ----------------------------------------------------------------------------------------
178:  1       (1369.371, 1195.430, 1995.217)  (1369.423, 1195.454, 1995.268)  ( 0.00,  0.00,  0.00)
178:     bond    (1461.461, 1275.601, 2025.255)  (1461.505, 1275.614, 2025.297)  ( 0.00,  0.00,  0.00)
178:     angle   (-94.800, -75.151, -31.579)  (-94.792, -75.141, -31.571)  ( 0.01,  0.01,  0.03)
178:     torsion (  2.079,  -6.467,   0.470)  (  2.079,  -6.467,   0.470)  ( 0.00,  0.01,  0.00)
178:     vdw     (  0.631,   1.447,   1.072)  (  0.631,   1.447,   1.072)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  2       (-181.675, 105.621, 179.573)  (-181.622, 105.667, 179.622)  ( 0.03,  0.04,  0.03)
178:     bond    (-148.144,  60.423, 102.210)  (-148.102,  60.459, 102.246)  ( 0.03,  0.06,  0.04)
178:     angle   (-28.350,  45.228,  69.391)  (-28.340,  45.238,  69.404)  ( 0.04,  0.02,  0.02)
178:     torsion ( -1.446,   1.438,   1.670)  ( -1.446,   1.438,   1.670)  ( 0.02,  0.03,  0.02)
178:     vdw     ( -3.735,  -1.468,   6.302)  ( -3.735,  -1.468,   6.302)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  3       (-132.371, -161.041, 125.197)  (-132.323, -160.993, 125.249)  ( 0.04,  0.03,  0.04)
178:     bond    (-94.820, -119.067, 105.652)  (-94.784, -119.030, 105.693)  ( 0.04,  0.03,  0.04)
178:     angle   (-31.282, -40.683,  10.602)  (-31.271, -40.672,  10.611)  ( 0.03,  0.03,  0.09)
178:     torsion ( -1.488,  -1.816,   0.312)  ( -1.488,  -1.815,   0.312)  ( 0.03,  0.03,  0.01)
178:     vdw     ( -4.780,   0.524,   8.632)  ( -4.780,   0.524,   8.632)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  4       (-15.902, 115.758,  12.897)  (-15.857, 115.778,  12.945)  ( 0.29,  0.02,  0.38)
178:     bond    (-28.066,  85.668,  -9.634)  (-28.027,  85.679,  -9.591)  ( 0.14,  0.01,  0.44)
178:     angle   ( 14.028,  26.175,  23.400)  ( 14.034,  26.182,  23.406)  ( 0.04,  0.03,  0.03)
178:     torsion ( -1.256,   4.948,   0.115)  ( -1.256,   4.948,   0.116)  ( 0.02,  0.01,  0.00)
178:     vdw     ( -0.608,  -1.032,  -0.985)  ( -0.608,  -1.032,  -0.985)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  5       (176.944, -86.116, -142.995)  (176.997, -86.070, -142.947)  ( 0.03,  0.05,  0.03)
178:     bond    (141.110, -61.763, -102.053)  (141.152, -61.727, -102.017)  ( 0.03,  0.06,  0.04)
178:     angle   ( 26.086, -27.000, -36.336)  ( 26.097, -26.991, -36.325)  ( 0.04,  0.03,  0.03)
178:     torsion (  0.894,  -1.212,  -1.769)  (  0.894,  -1.211,  -1.768)  ( 0.03,  0.04,  0.02)
178:     vdw     (  8.855,   3.859,  -2.837)  (  8.855,   3.859,  -2.837)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  6       (157.851, 189.819, -117.633)  (157.899, 189.868, -117.581)  ( 0.03,  0.03,  0.04)
178:     bond    ( 96.212, 121.860, -105.322)  ( 96.248, 121.897, -105.281)  ( 0.04,  0.03,  0.04)
178:     angle   ( 52.701,  64.745,  -8.770)  ( 52.712,  64.757,  -8.760)  ( 0.02,  0.02,  0.11)
178:     torsion (  1.075,   2.443,  -0.727)  (  1.075,   2.444,  -0.727)  ( 0.04,  0.02,  0.02)
178:     vdw     (  7.863,   0.770,  -2.813)  (  7.863,   0.770,  -2.813)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  7       (-133.686, -119.156, -187.980)  (-133.636, -119.106, -187.928)  ( 0.04,  0.04,  0.03)
178:     bond    (-85.996, -97.284, -126.688)  (-85.958, -97.245, -126.649)  ( 0.04,  0.04,  0.03)
178:     angle   (-41.435, -21.293, -53.864)  (-41.424, -21.281, -53.852)  ( 0.03,  0.05,  0.02)
178:     torsion ( -0.017,   0.011,   0.003)  ( -0.017,   0.011,   0.003)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -6.238,  -0.590,  -7.431)  ( -6.238,  -0.590,  -7.430)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:  8       (1573.982, -2052.237, -2187.666)  (1574.030, -2052.177, -2187.611)  ( 0.00,  0.00,  0.00)
178:     bond    (1548.366, -2060.217, -2183.958)  (1548.400, -2060.170, -2183.914)  ( 0.00,  0.00,  0.00)
178:     angle   ( 19.787,   7.107,  -6.660)  ( 19.801,   7.120,  -6.649)  ( 0.07,  0.18,  0.17)
178:     torsion ( -1.000,   2.025,  -1.521)  ( -1.000,   2.025,  -1.521)  ( 0.00,  0.00,  0.02)
178:     vdw     (  2.318,   1.078,   4.865)  (  2.318,   1.078,   4.865)  ( 0.01,  0.01,  0.00)
178:     electro (  4.512,  -2.230,  -0.392)  (  4.512,  -2.230,  -0.392)  ( 0.00,  0.00,  0.00)
178:  9       ( -7.983, -41.507, -35.682)  ( -7.977, -41.500, -35.661)  ( 0.07,  0.02,  0.06)
178:     bond    (  4.870,   5.245, -14.381)  (  4.872,   5.247, -14.361)  ( 0.05,  0.05,  0.14)
178:     angle   (-15.868, -48.162, -22.980)  (-15.864, -48.158, -22.979)  ( 0.02,  0.01,  0.00)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  3.787,   0.954,   0.884)  (  3.787,   0.954,   0.884)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.772,   0.456,   0.795)  ( -0.772,   0.456,   0.795)  ( 0.00,  0.00,  0.00)
178: 10       ( 27.594, -14.399, -46.283)  ( 27.599, -14.375, -46.279)  ( 0.02,  0.17,  0.01)
178:     bond    (  1.010, -10.223,   1.585)  (  1.011, -10.199,   1.586)  ( 0.03,  0.24,  0.04)
178:     angle   ( 30.378,  -4.575, -48.799)  ( 30.382,  -4.575, -48.795)  ( 0.01,  0.00,  0.01)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -1.850,   0.228,   1.522)  ( -1.850,   0.228,   1.522)  ( 0.01,  0.00,  0.01)
178:     electro ( -1.944,   0.171,  -0.592)  ( -1.944,   0.171,  -0.592)  ( 0.00,  0.00,  0.00)
178: 11       (-2877.194, 780.290, 282.207)  (-2877.127, 780.387, 282.225)  ( 0.00,  0.01,  0.01)
178:     bond    (-2944.764, 766.776, 249.933)  (-2944.709, 766.863, 249.945)  ( 0.00,  0.01,  0.01)
178:     angle   ( 71.107,  12.851,  27.872)  ( 71.119,  12.861,  27.874)  ( 0.02,  0.07,  0.01)
178:     torsion (  0.047,  -0.634,   2.789)  (  0.047,  -0.634,   2.791)  ( 0.00,  0.01,  0.08)
178:     vdw     ( -3.584,   1.297,   1.614)  ( -3.584,   1.297,   1.614)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 12       (-70.944, -46.432, -11.513)  (-70.859, -46.350, -11.506)  ( 0.12,  0.18,  0.07)
178:     bond    (-73.273, -87.425, -19.694)  (-73.200, -87.355, -19.690)  ( 0.10,  0.08,  0.02)
178:     angle   (  8.092,  43.087,  10.723)  (  8.105,  43.099,  10.723)  ( 0.15,  0.03,  0.01)
178:     torsion ( -0.013,   0.501,  -2.331)  ( -0.013,   0.501,  -2.328)  ( 0.00,  0.01,  0.13)
178:     vdw     ( -4.596,  -4.209,  -1.153)  ( -4.596,  -4.209,  -1.153)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.154,   1.614,   0.942)  ( -1.154,   1.614,   0.942)  ( 0.00,  0.00,  0.00)
178: 13       (103.292, -167.482, -50.570)  (103.394, -167.413, -50.562)  ( 0.10,  0.04,  0.02)
178:     bond    (101.082, -18.155,  -7.464)  (101.171, -18.100,  -7.460)  ( 0.09,  0.30,  0.06)
178:     angle   ( 10.732, -148.703, -38.696)  ( 10.745, -148.689, -38.695)  ( 0.12,  0.01,  0.00)
178:     torsion ( -0.027,   0.546,  -2.011)  ( -0.027,   0.546,  -2.008)  ( 0.00,  0.01,  0.15)
178:     vdw     ( -8.577,  -1.464,  -3.092)  ( -8.577,  -1.463,  -3.092)  ( 0.00,  0.02,  0.00)
178:     electro (  0.082,   0.294,   0.693)  (  0.082,   0.294,   0.693)  ( 0.00,  0.00,  0.00)
178: 14       (-340.783, 244.004, 103.856)  (-340.702, 244.105, 103.865)  ( 0.02,  0.04,  0.01)
178:     bond    (-242.685, 169.679,  51.566)  (-242.620, 169.756,  51.571)  ( 0.03,  0.05,  0.01)
178:     angle   (-90.118,  80.283,  38.870)  (-90.102,  80.306,  38.871)  ( 0.02,  0.03,  0.00)
178:     torsion (  0.878,  -3.052,  21.109)  (  0.878,  -3.052,  21.112)  ( 0.00,  0.01,  0.02)
178:     vdw     ( -8.858,  -2.905,  -7.690)  ( -8.858,  -2.905,  -7.689)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 15       (-73.315, -132.854, -48.254)  (-73.221, -132.766, -48.244)  ( 0.13,  0.07,  0.02)
178:     bond    (-57.772, -173.544, -48.927)  (-57.694, -173.468, -48.921)  ( 0.14,  0.04,  0.01)
178:     angle   (-12.260,  33.289,  10.647)  (-12.246,  33.300,  10.648)  ( 0.12,  0.03,  0.01)
178:     torsion ( -0.061,   1.973,  -7.707)  ( -0.061,   1.974,  -7.705)  ( 0.00,  0.01,  0.04)
178:     vdw     ( -3.222,   5.428,  -2.267)  ( -3.221,   5.428,  -2.267)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 16       ( 35.176,  96.616,  32.145)  ( 35.277,  96.684,  32.153)  ( 0.28,  0.07,  0.03)
178:     bond    (107.267,  64.420,  20.261)  (107.355,  64.475,  20.266)  ( 0.08,  0.09,  0.02)
178:     angle   (-66.999,  27.788,   6.767)  (-66.988,  27.800,   6.768)  ( 0.02,  0.04,  0.01)
178:     torsion (  0.086,  -0.719,   3.121)  (  0.086,  -0.718,   3.124)  ( 0.00,  0.01,  0.10)
178:     vdw     ( -3.557,   6.031,   1.619)  ( -3.557,   6.031,   1.619)  ( 0.00,  0.00,  0.00)
178:     electro ( -1.620,  -0.904,   0.376)  ( -1.620,  -0.904,   0.376)  ( 0.00,  0.00,  0.00)
178: 17       ( 72.990, -38.251, -125.567)  ( 73.023, -38.214, -125.562)  ( 0.05,  0.10,  0.00)
178:     bond    ( 76.533,  48.205,  -2.919)  ( 76.562,  48.230,  -2.920)  ( 0.04,  0.05,  0.01)
178:     angle   ( 44.783,  15.169,  -6.917)  ( 44.787,  15.180,  -6.916)  ( 0.01,  0.07,  0.02)
178:     torsion ( -4.190,  -0.869, -11.772)  ( -4.190,  -0.869, -11.770)  ( 0.00,  0.01,  0.02)
178:     vdw     (-44.136, -100.757, -103.958)  (-44.136, -100.754, -103.956)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 18       (119.639, -56.704, -193.548)  (119.684, -56.658, -193.499)  ( 0.04,  0.08,  0.03)
178:     bond    ( 90.494, -62.887, -134.670)  ( 90.528, -62.851, -134.631)  ( 0.04,  0.06,  0.03)
178:     angle   (  7.958,   4.349, -58.658)  (  7.967,   4.359, -58.648)  ( 0.11,  0.23,  0.02)
178:     torsion (  6.994,   0.785,  -1.421)  (  6.994,   0.785,  -1.420)  ( 0.01,  0.02,  0.05)
178:     vdw     ( 14.194,   1.049,   1.201)  ( 14.194,   1.049,   1.201)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 19       (-28.867, -137.080, 213.252)  (-28.819, -137.032, 213.302)  ( 0.17,  0.04,  0.02)
178:     bond    ( -2.959, -76.425, 133.671)  ( -2.923, -76.388, 133.709)  ( 1.23,  0.05,  0.03)
178:     angle   (-21.380, -58.465,  80.090)  (-21.369, -58.454,  80.102)  ( 0.05,  0.02,  0.02)
178:     torsion ( -6.308,  -1.853,  -1.783)  ( -6.308,  -1.852,  -1.783)  ( 0.01,  0.02,  0.01)
178:     vdw     (  1.781,  -0.337,   1.274)  (  1.781,  -0.337,   1.274)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 20       (207.909, -466.263,  79.993)  (207.985, -466.174,  80.005)  ( 0.04,  0.02,  0.01)
178:     bond    (182.230, -600.186,  98.639)  (182.294, -600.111,  98.647)  ( 0.04,  0.01,  0.01)
178:     angle   ( 30.140, 138.056, -17.107)  ( 30.152, 138.069, -17.105)  ( 0.04,  0.01,  0.01)
178:     torsion ( -1.300,   0.946,   0.552)  ( -1.300,   0.946,   0.554)  ( 0.03,  0.01,  0.12)
178:     vdw     ( -3.161,  -5.079,  -2.091)  ( -3.161,  -5.079,  -2.091)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 21       (264.766, 1019.746,  41.828)  (264.807, 1019.826,  41.835)  ( 0.02,  0.01,  0.02)
178:     bond    (243.258, 971.230,  40.076)  (243.286, 971.307,  40.079)  ( 0.01,  0.01,  0.01)
178:     angle   ( 14.169,  42.623,   0.148)  ( 14.181,  42.625,   0.150)  ( 0.08,  0.01,  0.03)
178:     torsion ( -1.329,   0.222,   3.722)  ( -1.329,   0.222,   3.723)  ( 0.02,  0.00,  0.04)
178:     vdw     (  8.669,   5.671,  -2.118)  (  8.669,   5.671,  -2.118)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 22       (-402.004, -170.741, -141.440)  (-401.917, -170.640, -141.423)  ( 0.02,  0.06,  0.01)
178:     bond    (-503.192, -178.190, -182.315)  (-503.117, -178.102, -182.302)  ( 0.02,  0.05,  0.01)
178:     angle   (102.277,   0.774,  39.469)  (102.288,   0.786,  39.470)  ( 0.01,  0.93,  0.00)
178:     torsion ( -0.534,   0.081,   1.258)  ( -0.533,   0.081,   1.261)  ( 0.02,  0.00,  0.24)
178:     vdw     ( -0.555,   6.594,   0.148)  ( -0.555,   6.594,   0.148)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 23       (265.191, -645.691, 142.343)  (265.272, -645.583, 142.360)  ( 0.03,  0.02,  0.01)
178:     bond    (398.592, -719.663, 195.944)  (398.659, -719.565, 195.956)  ( 0.02,  0.01,  0.01)
178:     angle   (-135.752,  68.646, -51.584)  (-135.740,  68.656, -51.583)  ( 0.01,  0.01,  0.00)
178:     torsion (  0.753,  -0.118,  -2.003)  (  0.754,  -0.118,  -2.000)  ( 0.04,  0.00,  0.18)
178:     vdw     (  1.598,   5.444,  -0.014)  (  1.598,   5.444,  -0.014)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 24       (-80.570, 704.233, -74.510)  (-80.507, 704.325, -74.494)  ( 0.08,  0.01,  0.02)
178:     bond    ( 93.805, 555.868,   4.190)  ( 93.859, 555.946,   4.203)  ( 0.06,  0.01,  0.31)
178:     angle   (-173.921, 150.290, -79.824)  (-173.912, 150.303, -79.823)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.452,   0.056,   1.226)  ( -0.452,   0.056,   1.228)  ( 0.02,  0.00,  0.21)
178:     vdw     ( -0.003,  -1.981,  -0.103)  ( -0.003,  -1.981,  -0.103)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 25       (138.634, -255.892,  72.775)  (138.719, -255.822,  72.790)  ( 0.06,  0.03,  0.02)
178:     bond    ( 78.315, 129.261,  21.824)  ( 78.391, 129.313,  21.836)  ( 0.10,  0.04,  0.06)
178:     angle   ( 56.522, -381.810,  49.106)  ( 56.530, -381.791,  49.107)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.678,   0.012,  -1.874)  (  0.679,   0.012,  -1.871)  ( 0.03,  0.00,  0.13)
178:     vdw     (  2.878,  -4.540,   3.180)  (  2.878,  -4.540,   3.180)  ( 0.00,  0.01,  0.00)
178:     electro (  0.241,   1.185,   0.538)  (  0.241,   1.185,   0.538)  ( 0.00,  0.00,  0.00)
178: 26       (-136.091, -340.547, -47.481)  (-136.024, -340.460, -47.468)  ( 0.05,  0.03,  0.03)
178:     bond    (-101.762, -361.165,  -9.618)  (-101.706, -361.091,  -9.610)  ( 0.06,  0.02,  0.08)
178:     angle   (-38.960,  23.208, -34.425)  (-38.950,  23.221, -34.422)  ( 0.03,  0.06,  0.01)
178:     torsion (  3.895,  -1.182, -10.458)  (  3.895,  -1.182, -10.457)  ( 0.01,  0.01,  0.02)
178:     vdw     (  0.737,  -1.408,   7.021)  (  0.737,  -1.408,   7.021)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 27       (392.416, -128.937, 160.507)  (392.479, -128.885, 160.518)  ( 0.02,  0.04,  0.01)
178:     bond    (379.882, -144.919, 155.173)  (379.943, -144.876, 155.182)  ( 0.02,  0.03,  0.01)
178:     angle   ( 14.261,  17.407,   2.817)  ( 14.264,  17.416,   2.818)  ( 0.02,  0.05,  0.04)
178:     torsion ( -1.305,   0.304,   3.355)  ( -1.305,   0.304,   3.356)  ( 0.01,  0.00,  0.02)
178:     vdw     ( -0.422,  -1.729,  -0.838)  ( -0.422,  -1.729,  -0.838)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 28       (1315.146, -74.669, 493.336)  (1315.206, -74.577, 493.354)  ( 0.00,  0.12,  0.00)
178:     bond    (1185.804,  92.689, 432.055)  (1185.856,  92.772, 432.069)  ( 0.00,  0.09,  0.00)
178:     angle   (130.865, -167.104,  60.684)  (130.874, -167.094,  60.687)  ( 0.01,  0.01,  0.00)
178:     torsion ( -0.460,   0.082,   1.241)  ( -0.460,   0.082,   1.242)  ( 0.01,  0.00,  0.11)
178:     vdw     ( -1.064,  -0.337,  -0.644)  ( -1.064,  -0.337,  -0.644)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 29       (-407.489, 229.581, -174.705)  (-407.472, 229.589, -174.700)  ( 0.00,  0.00,  0.00)
178:     bond    (-428.438, 181.023, -179.396)  (-428.422, 181.028, -179.392)  ( 0.00,  0.00,  0.00)
178:     angle   ( 18.109,  47.213,   4.397)  ( 18.110,  47.216,   4.397)  ( 0.00,  0.01,  0.00)
178:     torsion (  0.211,  -0.029,  -0.534)  (  0.211,  -0.029,  -0.534)  ( 0.00,  0.00,  0.03)
178:     vdw     (  2.629,   1.375,   0.829)  (  2.629,   1.375,   0.829)  ( 0.00,  0.01,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 30       (-1375.520,  93.450, -519.145)  (-1375.476,  93.506, -519.093)  ( 0.00,  0.06,  0.01)
178:     bond    (-1368.931,   2.598, -509.342)  (-1368.899,   2.640, -509.300)  ( 0.00,  1.63,  0.01)
178:     angle   ( -6.421,  89.619,  -9.663)  ( -6.410,  89.632,  -9.653)  ( 0.18,  0.01,  0.11)
178:     torsion ( -0.024,   0.004,   0.064)  ( -0.024,   0.004,   0.065)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.144,   1.230,  -0.204)  ( -0.144,   1.230,  -0.204)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 31       (-252.383,  68.712,  72.986)  (-252.334,  68.760,  73.032)  ( 0.02,  0.07,  0.06)
178:     bond    (-183.680, 108.332,  28.850)  (-183.643, 108.368,  28.887)  ( 0.02,  0.03,  0.13)
178:     angle   (-67.485, -40.784,  37.274)  (-67.473, -40.773,  37.283)  ( 0.02,  0.03,  0.02)
178:     torsion ( -1.634,   0.633,   4.614)  ( -1.633,   0.633,   4.614)  ( 0.03,  0.02,  0.01)
178:     vdw     (  0.416,   0.531,   2.248)  (  0.416,   0.531,   2.248)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 32       ( 26.424, 201.539, -65.524)  ( 26.469, 201.589, -65.476)  ( 0.17,  0.02,  0.07)
178:     bond    ( 10.558, 131.097, -37.808)  ( 10.594, 131.133, -37.771)  ( 0.34,  0.03,  0.10)
178:     angle   ( 15.093,  68.172, -27.150)  ( 15.102,  68.185, -27.140)  ( 0.06,  0.02,  0.04)
178:     torsion (  0.521,   3.013,  -1.060)  (  0.521,   3.013,  -1.060)  ( 0.03,  0.02,  0.02)
178:     vdw     (  0.252,  -0.742,   0.494)  (  0.252,  -0.742,   0.494)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 33       (  5.447, -166.720, -114.957)  (  5.495, -166.670, -114.908)  ( 0.89,  0.03,  0.04)
178:     bond    (  0.388, -85.303, -71.338)  (  0.425, -85.265, -71.301)  ( 1.43,  0.04,  0.05)
178:     angle   (  3.800, -80.567, -42.048)  (  3.811, -80.555, -42.036)  ( 0.29,  0.02,  0.03)
178:     torsion (  0.744,  -0.036,   0.075)  (  0.745,  -0.036,   0.076)  ( 0.04,  0.00,  0.00)
178:     vdw     (  0.514,  -0.814,  -1.646)  (  0.514,  -0.814,  -1.646)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 34       ( 39.872, -79.602, -11.314)  ( 39.879, -79.577, -11.310)  ( 0.02,  0.03,  0.04)
178:     bond    ( 31.505, -86.048,   4.238)  ( 31.508, -86.023,   4.238)  ( 0.01,  0.03,  0.01)
178:     angle   ( 12.846,   3.739, -19.615)  ( 12.848,   3.740, -19.612)  ( 0.02,  0.01,  0.02)
178:     torsion (  2.043,   0.649,  -2.011)  (  2.043,   0.649,  -2.011)  ( 0.00,  0.00,  0.01)
179:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
179:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
179:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
179:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
179:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
179:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
179: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
179:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
179:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
179:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
179:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
179: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
179:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
179:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
179:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
179:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
179:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
179: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
179:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
179:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
179:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
179:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
179:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
179: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
179:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
179:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
179:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
179:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
179:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
179:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
179:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
178:     vdw     ( -6.521,   2.057,   6.075)  ( -6.521,   2.057,   6.075)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 35       ( 36.284,  22.966, -82.660)  ( 36.289,  22.973, -82.636)  ( 0.01,  0.03,  0.03)
178:     bond    ( 21.884,  34.000, -84.579)  ( 21.886,  34.004, -84.556)  ( 0.01,  0.01,  0.03)
178:     angle   ( 18.455, -11.667,   0.087)  ( 18.458, -11.664,   0.087)  ( 0.01,  0.03,  0.00)
178:     torsion ( -0.871,   0.454,  -0.043)  ( -0.871,   0.454,  -0.043)  ( 0.01,  0.01,  0.00)
178:     vdw     ( -3.185,   0.179,   1.876)  ( -3.184,   0.179,   1.876)  ( 0.01,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 36       ( 88.882,  10.987, -11.983)  ( 88.909,  10.992, -11.979)  ( 0.03,  0.04,  0.03)
178:     bond    ( 91.385,  -5.329, -13.368)  ( 91.412,  -5.328, -13.367)  ( 0.03,  0.01,  0.01)
178:     angle   ( -0.040,  18.084,  -7.489)  ( -0.040,  18.088,  -7.487)  ( 0.00,  0.02,  0.04)
178:     torsion (  0.028,  -1.127,   0.641)  (  0.028,  -1.127,   0.641)  ( 0.00,  0.01,  0.00)
178:     vdw     ( -2.490,  -0.640,   8.233)  ( -2.490,  -0.640,   8.234)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 37       ( -4.098,  87.111, -10.557)  ( -4.092,  87.137, -10.553)  ( 0.14,  0.03,  0.04)
178:     bond    (-24.076,  86.846, -10.570)  (-24.074,  86.872, -10.569)  ( 0.01,  0.03,  0.01)
178:     angle   ( 21.480,   4.731, -10.050)  ( 21.483,   4.731, -10.048)  ( 0.02,  0.00,  0.03)
178:     torsion (  2.789,   0.583,  -1.558)  (  2.789,   0.583,  -1.558)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -4.290,  -5.049,  11.622)  ( -4.290,  -5.049,  11.622)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 38       (-23.572, -16.685,  85.626)  (-23.567, -16.678,  85.650)  ( 0.02,  0.04,  0.03)
178:     bond    (-20.719, -32.829,  83.983)  (-20.718, -32.825,  84.006)  ( 0.01,  0.01,  0.03)
178:     angle   (-11.944,  14.964,   2.903)  (-11.941,  14.967,   2.904)  ( 0.02,  0.02,  0.02)
178:     torsion (  0.733,  -0.743,  -0.110)  (  0.733,  -0.743,  -0.110)  ( 0.01,  0.01,  0.00)
178:     vdw     (  8.358,   1.923,  -1.150)  (  8.359,   1.923,  -1.150)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 39       (-33.595,  79.887,  14.514)  (-33.588,  79.911,  14.518)  ( 0.02,  0.03,  0.03)
178:     bond    (-31.431,  85.012,  -4.595)  (-31.427,  85.037,  -4.594)  ( 0.01,  0.03,  0.01)
178:     angle   (-13.511,  -3.912,  19.998)  (-13.508,  -3.912,  20.001)  ( 0.02,  0.01,  0.02)
178:     torsion ( -1.754,  -0.523,   2.320)  ( -1.754,  -0.523,   2.321)  ( 0.00,  0.00,  0.01)
178:     vdw     ( 13.101,  -0.691,  -3.210)  ( 13.101,  -0.691,  -3.210)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 40       (-89.565, -10.449,  25.871)  (-89.538, -10.445,  25.875)  ( 0.03,  0.04,  0.02)
178:     bond    (-93.440,   4.720,  14.652)  (-93.413,   4.721,  14.653)  ( 0.03,  0.01,  0.01)
178:     angle   (  1.162, -17.513,  13.046)  (  1.162, -17.510,  13.049)  ( 0.01,  0.02,  0.02)
178:     torsion ( -0.082,   0.250,  -0.606)  ( -0.082,   0.250,  -0.606)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.795,   2.094,  -1.222)  (  2.795,   2.094,  -1.222)  ( 0.00,  0.00,  0.02)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 41       (  8.560, -87.495,  19.317)  (  8.566, -87.469,  19.321)  ( 0.07,  0.03,  0.02)
178:     bond    ( 25.302, -87.579,  10.941)  ( 25.304, -87.554,  10.942)  ( 0.01,  0.03,  0.01)
178:     angle   (-20.325,  -4.214,  13.279)  (-20.322,  -4.213,  13.282)  ( 0.02,  0.01,  0.02)
178:     torsion ( -1.939,  -0.352,   1.667)  ( -1.939,  -0.352,   1.667)  ( 0.01,  0.00,  0.00)
178:     vdw     (  5.522,   4.650,  -6.571)  (  5.523,   4.650,  -6.570)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 42       (-13.989,  74.223,   4.958)  (-13.983,  74.249,   4.962)  ( 0.04,  0.03,  0.08)
178:     bond    (-21.453,  74.914,  -3.292)  (-21.450,  74.940,  -3.291)  ( 0.01,  0.03,  0.01)
178:     angle   ( 14.946,   5.094,  18.557)  ( 14.949,   5.094,  18.561)  ( 0.02,  0.00,  0.02)
178:     torsion ( -0.016,  -0.004,   0.014)  ( -0.016,  -0.004,   0.014)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -7.466,  -5.781, -10.321)  ( -7.466,  -5.781, -10.321)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 43       ( 78.263,  -2.252,   8.047)  ( 78.290,  -2.248,   8.051)  ( 0.03,  0.18,  0.06)
178:     bond    ( 77.211,  -4.184,  -9.515)  ( 77.238,  -4.183,  -9.514)  ( 0.04,  0.01,  0.01)
178:     angle   (  3.619,   3.438,  27.860)  (  3.619,   3.442,  27.863)  ( 0.00,  0.11,  0.01)
178:     torsion (  0.007,  -0.165,   0.126)  (  0.007,  -0.165,   0.126)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.573,  -1.341, -10.424)  ( -2.573,  -1.341, -10.424)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 44       (  0.559, -21.658,  75.747)  (  0.565, -21.651,  75.771)  ( 0.29,  0.03,  0.03)
178:     bond    (-15.723, -27.268,  71.326)  (-15.722, -27.264,  71.349)  ( 0.01,  0.01,  0.03)
178:     angle   ( 25.339,   8.729,   8.920)  ( 25.342,   8.732,   8.921)  ( 0.01,  0.04,  0.01)
178:     torsion (  0.198,  -0.151,  -0.014)  (  0.198,  -0.151,  -0.014)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -9.254,  -2.968,  -4.484)  ( -9.254,  -2.968,  -4.484)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 45       ( 64.163,  80.826,  16.856)  ( 64.181,  80.843,  16.858)  ( 0.03,  0.02,  0.01)
178:     bond    ( 74.615,  74.402,  16.715)  ( 74.629,  74.416,  16.717)  ( 0.02,  0.02,  0.01)
178:     angle   ( -6.637,   6.301,   1.557)  ( -6.635,   6.304,   1.557)  ( 0.04,  0.04,  0.01)
178:     torsion ( -0.008,   0.091,  -0.372)  ( -0.008,   0.091,  -0.371)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -2.955,   0.013,  -0.139)  ( -2.954,   0.013,  -0.139)  ( 0.01,  0.00,  0.00)
178:     electro ( -0.852,   0.018,  -0.906)  ( -0.852,   0.018,  -0.906)  ( 0.00,  0.00,  0.00)
178: 46       (-16.253, 103.541,  27.783)  (-16.245, 103.567,  27.786)  ( 0.05,  0.03,  0.01)
178:     bond    (-17.811,  88.988,  23.233)  (-17.810,  89.014,  23.235)  ( 0.01,  0.03,  0.01)
178:     angle   ( 54.867,  10.478,   1.919)  ( 54.872,  10.478,   1.919)  ( 0.01,  0.00,  0.00)
178:     torsion (  0.012,  -0.370,   1.425)  (  0.012,  -0.370,   1.425)  ( 0.00,  0.00,  0.05)
178:     vdw     (-53.523,   4.113,   1.555)  (-53.521,   4.113,   1.555)  ( 0.00,  0.00,  0.01)
178:     electro (  0.202,   0.332,  -0.349)  (  0.202,   0.332,  -0.349)  ( 0.00,  0.00,  0.00)
178: 47       ( 46.686, -89.427, -26.362)  ( 46.694, -89.402, -26.359)  ( 0.02,  0.03,  0.01)
178:     bond    ( 27.135, -94.224, -26.191)  ( 27.138, -94.199, -26.189)  ( 0.01,  0.03,  0.01)
178:     angle   ( 23.097,   6.332,   1.160)  ( 23.102,   6.333,   1.160)  ( 0.02,  0.01,  0.01)
178:     torsion ( -0.042,   0.706,  -2.585)  ( -0.042,   0.706,  -2.584)  ( 0.00,  0.00,  0.03)
178:     vdw     ( -6.905,  -1.903,   1.416)  ( -6.905,  -1.903,   1.416)  ( 0.01,  0.00,  0.00)
178:     electro (  3.401,  -0.339,  -0.162)  (  3.401,  -0.339,  -0.162)  ( 0.00,  0.00,  0.00)
178: 48       (-80.683,  -1.490,  46.931)  (-80.656,  -1.486,  46.937)  ( 0.03,  0.23,  0.01)
178:     bond    (-88.637,  -2.317,  20.880)  (-88.611,  -2.317,  20.882)  ( 0.03,  0.02,  0.01)
178:     angle   (  5.474,  -2.071,  22.996)  (  5.474,  -2.068,  23.000)  ( 0.00,  0.14,  0.01)
178:     torsion (  1.564,   0.257,   6.664)  (  1.564,   0.257,   6.664)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.917,   2.642,  -3.609)  (  0.917,   2.642,  -3.609)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 49       ( 27.346,  12.069,  61.421)  ( 27.357,  12.077,  61.439)  ( 0.04,  0.07,  0.03)
178:     bond    ( 27.464,  27.278,  46.599)  ( 27.470,  27.284,  46.615)  ( 0.02,  0.02,  0.04)
178:     angle   (-45.485,  -9.884,  32.585)  (-45.483,  -9.881,  32.586)  ( 0.01,  0.02,  0.00)
178:     torsion (  1.360,   1.464,  -1.659)  (  1.361,   1.464,  -1.659)  ( 0.02,  0.00,  0.01)
178:     vdw     ( 44.008,  -6.790, -16.103)  ( 44.009,  -6.790, -16.103)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 50       (-19.918,  78.133, -20.035)  (-19.910,  78.158, -20.031)  ( 0.04,  0.03,  0.02)
178:     bond    (-29.029,  74.253,   5.631)  (-29.025,  74.277,   5.631)  ( 0.01,  0.03,  0.01)
178:     angle   ( 10.553,   6.257, -28.126)  ( 10.556,   6.257, -28.123)  ( 0.03,  0.01,  0.01)
178:     torsion ( -0.656,  -0.240,  -0.212)  ( -0.656,  -0.240,  -0.212)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -0.786,  -2.136,   2.672)  ( -0.786,  -2.136,   2.672)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 51       ( 59.372,  24.629, -42.928)  ( 59.398,  24.633, -42.922)  ( 0.04,  0.02,  0.01)
178:     bond    ( 64.561,   5.165, -19.507)  ( 64.586,   5.165, -19.505)  ( 0.04,  0.01,  0.01)
178:     angle   (-12.918,  24.858, -36.193)  (-12.918,  24.862, -36.190)  ( 0.00,  0.01,  0.01)
178:     torsion (  0.060,   0.650,   0.370)  (  0.060,   0.650,   0.370)  ( 0.00,  0.01,  0.00)
178:     vdw     (  7.669,  -6.044,  12.403)  (  7.669,  -6.044,  12.403)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 52       (-30.314, -16.291, -76.443)  (-30.304, -16.282, -76.426)  ( 0.03,  0.06,  0.02)
178:     bond    (-39.923, -37.279, -58.542)  (-39.916, -37.273, -58.527)  ( 0.02,  0.02,  0.03)
178:     angle   ( 10.108,  21.559, -20.629)  ( 10.111,  21.562, -20.628)  ( 0.03,  0.01,  0.01)
178:     torsion (  0.298,  -0.200,  -0.076)  (  0.298,  -0.200,  -0.076)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -0.797,  -0.372,   2.804)  ( -0.797,  -0.372,   2.804)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 53       ( 94.650,  84.772, 119.505)  ( 94.656,  84.803, 119.509)  ( 0.01,  0.04,  0.00)
178:     bond    (  2.433, -20.470,   2.878)  (  2.434, -20.442,   2.879)  ( 0.01,  0.14,  0.02)
178:     angle   ( 34.810,   5.798,  11.741)  ( 34.814,   5.798,  11.742)  ( 0.01,  0.00,  0.01)
178:     torsion (  1.481,  -0.354,  -3.766)  (  1.481,  -0.354,  -3.765)  ( 0.01,  0.00,  0.01)
178:     vdw     ( 58.022, 100.394, 109.595)  ( 58.023, 100.397, 109.597)  ( 0.00,  0.00,  0.00)
178:     electro ( -2.096,  -0.597,  -0.943)  ( -2.096,  -0.597,  -0.943)  ( 0.00,  0.00,  0.00)
178: 54       (-23.064, -68.758,  -2.726)  (-23.057, -68.733,  -2.722)  ( 0.03,  0.04,  0.16)
178:     bond    (-23.826, -68.424,  -3.381)  (-23.823, -68.399,  -3.381)  ( 0.01,  0.04,  0.01)
178:     angle   ( -0.162,   0.040,   0.306)  ( -0.159,   0.040,   0.310)  ( 0.05,  0.00,  0.12)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  0.924,  -0.373,   0.349)  (  0.924,  -0.373,   0.349)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 55       (-40.151,  26.871,  56.321)  (-40.140,  26.881,  56.334)  ( 0.03,  0.04,  0.02)
178:     bond    (-43.020,  38.071,  45.501)  (-43.010,  38.079,  45.512)  ( 0.02,  0.02,  0.02)
178:     angle   (  0.667, -12.551,  11.129)  (  0.669, -12.548,  11.131)  ( 0.14,  0.02,  0.02)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  2.201,   1.351,  -0.308)  (  2.201,   1.351,  -0.308)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 56       (  7.916,  16.915, -72.081)  (  7.920,  16.924, -72.056)  ( 0.04,  0.05,  0.03)
178:     bond    ( -1.004,  29.140, -67.460)  ( -1.003,  29.145, -67.436)  ( 0.03,  0.02,  0.03)
178:     angle   (  7.515, -13.544,  -5.964)  (  7.518, -13.541,  -5.964)  ( 0.04,  0.02,  0.01)
178:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178:     vdw     (  1.405,   1.320,   1.344)  (  1.405,   1.320,   1.344)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 57       ( 26.171, -61.282, -57.916)  ( 26.175, -61.262, -57.905)  ( 0.02,  0.03,  0.02)
178:     bond    (  4.936, -71.331, -49.618)  (  4.937, -71.313, -49.608)  ( 0.01,  0.03,  0.02)
178:     angle   ( 21.633,  10.213, -12.532)  ( 21.637,  10.214, -12.530)  ( 0.02,  0.01,  0.01)
178:     torsion (  1.202,  -0.052,   0.194)  (  1.202,  -0.052,   0.194)  ( 0.01,  0.00,  0.00)
178:     vdw     ( -1.601,  -0.112,   4.039)  ( -1.601,  -0.112,   4.039)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 58       ( 76.270,  22.941, -23.323)  ( 76.292,  22.950, -23.319)  ( 0.03,  0.04,  0.02)
178:     bond    ( 71.291,  39.669,  -8.011)  ( 71.312,  39.676,  -8.010)  ( 0.03,  0.02,  0.01)
178:     angle   (  7.268, -17.136, -20.161)  (  7.269, -17.134, -20.158)  ( 0.01,  0.01,  0.02)
178:     torsion (  0.113,  -0.215,  -0.061)  (  0.113,  -0.215,  -0.061)  ( 0.00,  0.00,  0.00)
178:     vdw     ( -2.401,   0.624,   4.911)  ( -2.401,   0.624,   4.911)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 59       (-63.192, -63.428,  16.181)  (-63.170, -63.418,  16.184)  ( 0.03,  0.02,  0.02)
178:     bond    (-78.176, -47.083,   7.956)  (-78.155, -47.075,   7.957)  ( 0.03,  0.02,  0.01)
178:     angle   ( 13.238, -20.310,   9.894)  ( 13.239, -20.308,   9.897)  ( 0.01,  0.01,  0.03)
178:     torsion ( -0.006,  -0.084,  -0.554)  ( -0.006,  -0.083,  -0.554)  ( 0.00,  0.00,  0.01)
178:     vdw     (  1.752,   4.048,  -1.116)  (  1.752,   4.048,  -1.116)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 60       ( 51.337, -71.320,  31.040)  ( 51.354, -71.307,  31.045)  ( 0.03,  0.02,  0.02)
178:     bond    ( 69.756, -57.600,  27.076)  ( 69.771, -57.589,  27.078)  ( 0.02,  0.02,  0.01)
178:     angle   (-15.014, -15.981,   4.697)  (-15.013, -15.979,   4.699)  ( 0.01,  0.01,  0.05)
178:     torsion ( -2.419,  -2.372,   1.187)  ( -2.419,  -2.372,   1.187)  ( 0.01,  0.01,  0.01)
178:     vdw     ( -0.986,   4.632,  -1.920)  ( -0.986,   4.633,  -1.920)  ( 0.00,  0.00,  0.01)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 61       ( -9.231,   4.667,  82.357)  ( -9.227,   4.672,  82.383)  ( 0.05,  0.12,  0.03)
178:     bond    ( -7.198, -23.032,  75.880)  ( -7.197, -23.029,  75.906)  ( 0.01,  0.01,  0.03)
178:     angle   ( -4.131,  30.637,   8.904)  ( -4.128,  30.641,   8.905)  ( 0.09,  0.01,  0.00)
178:     torsion (  1.717,  -0.060,   0.145)  (  1.717,  -0.060,   0.145)  ( 0.01,  0.00,  0.00)
178:     vdw     (  0.381,  -2.879,  -2.572)  (  0.381,  -2.879,  -2.572)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 62       ( 55.671,  56.605,  11.335)  ( 55.692,  56.616,  11.339)  ( 0.04,  0.02,  0.04)
178:     bond    ( 65.302,  42.165,  -5.964)  ( 65.321,  42.173,  -5.964)  ( 0.03,  0.02,  0.01)
178:     angle   ( -9.206,  17.304,  21.554)  ( -9.205,  17.306,  21.558)  ( 0.01,  0.01,  0.02)
178:     torsion ( -0.690,   0.900,  -1.189)  ( -0.690,   0.900,  -1.189)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.266,  -3.764,  -3.067)  (  0.266,  -3.764,  -3.066)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: 63       (-52.640,  58.487,  10.669)  (-52.622,  58.499,  10.674)  ( 0.03,  0.02,  0.05)
178:     bond    (-57.918,  44.816, -15.152)  (-57.901,  44.826, -15.150)  ( 0.03,  0.02,  0.01)
178:     angle   (  6.047,  18.030,  30.234)  (  6.048,  18.032,  30.238)  ( 0.03,  0.01,  0.01)
178:     torsion ( -1.141,  -1.037,   1.293)  ( -1.141,  -1.037,   1.293)  ( 0.00,  0.00,  0.01)
178:     vdw     (  0.372,  -3.322,  -5.707)  (  0.372,  -3.322,  -5.706)  ( 0.00,  0.00,  0.00)
178:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
178: ok 36 # gradients 
178: 1..36
181:  1       (  0.188,  -0.341,  -0.447)  (  0.196,  -0.337,  -0.439)  ( 0.15,  0.15,  0.35)
181:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
181:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
181:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
181:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
181:     electro (  0.497,  -0.246,  -0.360)  (  0.497,  -0.246,  -0.360)  ( 0.00,  0.00,  0.00)
181:  2       (  0.154,  -0.533,   0.257)  (  0.159,  -0.515,   0.227)  ( 0.07,  0.95,  0.78)
181:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
181:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
181:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
181:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.922,  -0.376,  -0.475)  ( -0.922,  -0.376,  -0.475)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.038,  -0.435,   0.232)  ( -0.028,  -0.444,   0.280)  ( 0.04,  0.40,  1.12)
181:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
181:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
181:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
181:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.148,  -1.535,  -1.819)  ( -0.148,  -1.535,  -1.819)  ( 0.00,  0.00,  0.00)
181:  4       (  0.339,   2.335,  -1.508)  (  0.354,   2.156,  -1.322)  ( 0.49,  7.67, 12.33)
181:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
181:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
181:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
181:     oop     ( -0.042,   1.022,  -1.056)  ( -0.035,   0.836,  -0.873)  ( 0.03, 18.16, 17.37)
181:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
181:     electro (  2.337,   0.892,   1.269)  (  2.337,   0.892,   1.269)  ( 0.00,  0.00,  0.00)
181:  5       (  0.329,  -0.092,  -0.786)  (  0.325,  -0.035,  -0.926)  ( 0.14,  0.53, 10.94)
181:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
181:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
181:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
181:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
181:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
181:     electro (  1.700,   0.460,  -0.319)  (  1.700,   0.460,  -0.319)  ( 0.00,  0.00,  0.00)
181:  6       (  0.290,   0.013,  -0.920)  (  0.298,   0.013,  -0.902)  ( 0.24,  0.00,  1.63)
181:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
181:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
181:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
178/229 Test #178: test_ffghemical_1 ................   Passed   28.61 sec
test 182
        Start 182: test_ffmmff94_4

182: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "4"
182: Environment variables: 
182:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
182:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
182: Test timeout computed to be: 1500
182: # Testing MMFF94 Force Field...
179:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
179:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
179:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
179:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
179:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
179:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
179:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
179:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
179:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
179: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
179:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
179:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
179:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
179:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
179: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
179:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
179:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
179:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
179: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
179:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
179:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
179:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
179:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
179:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
180:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
180:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
180:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
180:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
180:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
180:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
180:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
180:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
180:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
180:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
180:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
180:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
180:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
180:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
180:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
180:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
180:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
180:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
180:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
180:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
180: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
180:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
180:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
180:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
180:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
180:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
180: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
180:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
180:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
180:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
180:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
180:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
180: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
181:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
181:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.323,  -0.125,  -0.217)  ( -0.323,  -0.125,  -0.217)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.910,  -7.772,   3.404)  ( -0.861,  -7.502,   3.120)  ( 4.50,  3.48,  8.32)
181:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
181:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
181:     torsion ( -2.513, -12.758,   5.361)  ( -2.513, -12.757,   5.361)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.329,  -1.737,   1.929)  ( -0.287,  -1.471,   1.641)  ( 1.39, 15.28, 14.93)
181:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
181:     electro ( -5.954,  -0.978,   0.342)  ( -5.954,  -0.978,   0.342)  ( 0.00,  0.00,  0.00)
181:  8       ( -2.017,   6.847,   8.194)  ( -2.033,   7.367,   8.078)  ( 0.77,  7.59,  1.41)
181:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
181:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
181:     torsion ( -1.720,   6.773, -17.821)  ( -1.720,   6.773, -17.821)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.204,  -2.932,   0.925)  (  0.181,  -2.416,   0.801)  ( 0.45, 17.59, 11.54)
181:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.546,  -3.502,   0.745)  ( -0.546,  -3.502,   0.745)  ( 0.00,  0.00,  0.00)
181:  9       (  2.585,  -3.819,  -7.637)  (  2.601,  -4.100,  -7.475)  ( 0.65,  7.38,  2.13)
181:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
181:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
181:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.307,   6.030,  -3.308)  ( -0.307,   6.030,  -3.308)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
181:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.739,  -0.534,  -4.368)  ( -4.739,  -0.534,  -4.368)  ( 0.00,  0.00,  0.00)
181: 10       (  1.000,  -0.547,  -0.386)  (  0.966,  -0.774,  -0.726)  ( 3.43, 12.41, 13.13)
181:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
181:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
181:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
181:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
181:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.671,  -0.472,  -0.637)  ( -0.671,  -0.472,  -0.637)  ( 0.00,  0.00,  0.00)
181: 11       ( -0.171,  -0.241,  -0.542)  ( -0.163,  -0.080,   0.005)  ( 0.12,  3.88, 29.65)
181:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
181:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
181:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
181:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
181:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
181:     electro (  4.282,  -0.325,  -2.941)  (  4.282,  -0.325,  -2.941)  ( 0.00,  0.00,  0.00)
181: 12       (  0.049,  -0.113,  -0.121)  (  0.055,  -0.145,  -0.246)  ( 0.03,  0.36,  1.51)
180:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
180:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
180:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
180:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
180:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
180: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
180:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
180:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
180:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
180:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
180:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
180:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
180: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
180:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
180:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
180:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
180:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
180:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
180: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
180:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
180:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
180:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
180:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
180:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
180:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
180:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
180:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
180: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
180:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
180:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
180:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
180:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
180:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
180:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
180:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
180:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
180:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
180:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
180:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
180:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
180:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: ok 8 # gradients 
180: ok 9 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : semdix.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
182: ok 1 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : cudpas.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
180:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
180:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
180:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
180:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
180:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
180:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
180:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
180:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
180:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
180:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
180:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
180:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
180:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
180:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
180:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
180:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
180:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
180:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
180:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
180:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
180:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
180:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
180:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
180:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
180:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
180:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
180:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
180:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
180:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
180:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
182:  1       (  0.007,  -0.034,  -0.015)  (  0.020,  -0.030,  -0.011)  ( 0.01,  0.01,  0.01)
182:     bond    ( -0.627,  15.886,  -4.916)  ( -0.627,  15.888,  -4.911)  ( 0.02,  0.01,  0.10)
182:     angle   (  0.285,  -5.925,   1.613)  (  0.285,  -5.923,   1.613)  ( 0.00,  0.03,  0.02)
182:     strbnd  (  0.281,  -0.139,   0.833)  (  0.281,  -0.139,   0.834)  ( 0.00,  0.00,  0.06)
182:     torsion (  1.474,  -0.034,  -0.301)  (  1.475,  -0.034,  -0.301)  ( 0.05,  0.00,  0.00)
182:     oop     ( -0.070,   0.000,   0.013)  ( -0.058,   0.000,   0.010)  ( 0.08,  0.00,  0.00)
182:     vdw     (  0.215,  -8.567,   1.182)  (  0.215,  -8.567,   1.182)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.551,  -1.255,   1.561)  ( -1.551,  -1.255,   1.561)  ( 0.00,  0.00,  0.00)
182:  2       (  0.000,   0.058,   0.027)  (  0.024,   0.065,   0.030)  ( 0.00,  0.04,  0.01)
182:     bond    ( -2.164,  -2.951,  -9.934)  ( -2.163,  -2.945,  -9.929)  ( 0.01,  0.20,  0.05)
182:     angle   ( -0.734,   3.034,  -3.472)  ( -0.734,   3.036,  -3.470)  ( 0.01,  0.06,  0.05)
182:     strbnd  ( -0.457,   4.090,  -1.781)  ( -0.457,   4.089,  -1.781)  ( 0.00,  0.01,  0.01)
182:     torsion ( -0.364,   0.018,   0.072)  ( -0.363,   0.018,   0.072)  ( 0.04,  0.00,  0.00)
182:     oop     ( -0.132,  -0.000,   0.028)  ( -0.109,  -0.000,   0.023)  ( 0.29,  0.00,  0.01)
182:     vdw     (  2.945,  -6.240,  14.926)  (  2.945,  -6.240,  14.926)  ( 0.00,  0.00,  0.00)
182:     electro (  0.905,   2.108,   0.188)  (  0.905,   2.108,   0.188)  ( 0.00,  0.00,  0.00)
182:  3       ( -0.013,  -0.134,  -0.004)  ( -0.081,  -0.127,   0.017)  ( 0.09,  0.09,  0.01)
182:     bond    ( -2.856,   1.520, -14.141)  ( -2.856,   1.526, -14.136)  ( 0.01,  0.37,  0.04)
182:     angle   (  0.155,   3.466,   1.738)  (  0.155,   3.468,   1.740)  ( 0.00,  0.05,  0.09)
182:     strbnd  ( -0.578,  -2.580,  -2.569)  ( -0.578,  -2.580,  -2.569)  ( 0.00,  0.01,  0.00)
182:     torsion (  5.075,   0.158,  -0.979)  (  5.077,   0.158,  -0.979)  ( 0.02,  0.00,  0.00)
182:     oop     (  0.439,   0.006,  -0.089)  (  0.369,   0.005,  -0.074)  ( 3.06,  0.00,  0.13)
182:     vdw     ( -0.451,   3.238,  15.457)  ( -0.451,   3.238,  15.457)  ( 0.00,  0.01,  0.00)
182:     electro ( -1.798,  -5.942,   0.580)  ( -1.798,  -5.942,   0.580)  ( 0.00,  0.00,  0.00)
182:  4       (  0.002,   0.065,  -0.009)  (  0.146,   0.078,   0.012)  ( 0.03,  0.08,  0.02)
182:     bond    (  0.739,  -9.087,   3.961)  (  0.739,  -9.082,   3.966)  ( 0.03,  0.05,  0.13)
182:     angle   (  9.507,   2.833,   4.739)  (  9.507,   2.835,   4.740)  ( 0.00,  0.07,  0.03)
182:     strbnd  ( -2.902,   7.782,  -9.865)  ( -2.902,   7.782,  -9.865)  ( 0.01,  0.00,  0.00)
182:     torsion ( -1.466,  -0.116,   0.262)  ( -1.465,  -0.116,   0.263)  ( 0.07,  0.00,  0.00)
182:     oop     ( -0.861,  -0.029,   0.012)  ( -0.719,  -0.023,   0.026)  (12.21,  0.02,  0.02)
182:     vdw     ( -5.002,  -2.445,  -0.447)  ( -5.002,  -2.445,  -0.447)  ( 0.00,  0.01,  0.00)
182:     electro ( -0.012,   1.128,   1.328)  ( -0.012,   1.127,   1.328)  ( 0.00,  0.00,  0.00)
182:  5       (  0.005,  -0.046,   0.001)  ( -0.130,  -0.039,   0.034)  ( 0.07,  0.03,  0.00)
182:     bond    (  3.837,  -3.968,  21.878)  (  3.837,  -3.963,  21.884)  ( 0.01,  0.13,  0.03)
182:     angle   (  0.847, -10.923,   3.951)  (  0.847, -10.921,   3.952)  ( 0.01,  0.02,  0.05)
182:     strbnd  ( -1.746,  12.103, -11.050)  ( -1.746,  12.103, -11.050)  ( 0.01,  0.00,  0.01)
182:     torsion ( -3.129,  -0.067,   0.763)  ( -3.128,  -0.067,   0.763)  ( 0.04,  0.00,  0.00)
182:     oop     (  0.796,   0.002,  -0.144)  (  0.659,   0.002,  -0.119)  (10.87,  0.00,  0.36)
182:     vdw     ( -1.003,   0.572, -15.165)  ( -1.003,   0.573, -15.165)  ( 0.00,  0.01,  0.00)
182:     electro (  0.403,   2.234,  -0.231)  (  0.403,   2.234,  -0.231)  ( 0.00,  0.00,  0.00)
182:  6       ( -0.014,   0.019,  -0.059)  ( -0.034,   0.026,  -0.048)  ( 0.03,  0.01,  0.07)
182:     bond    (  2.360,   2.726,  12.251)  (  2.360,   2.732,  12.256)  ( 0.01,  0.21,  0.04)
182:     angle   ( -0.066,   1.649,  -0.869)  ( -0.066,   1.650,  -0.868)  ( 0.00,  0.11,  0.16)
182:     strbnd  (  0.208,   6.438,   1.157)  (  0.208,   6.438,   1.157)  ( 0.00,  0.01,  0.00)
182:     torsion ( -0.540,   0.017,   0.090)  ( -0.539,   0.017,   0.090)  ( 0.06,  0.00,  0.00)
182:     oop     (  0.087,  -0.000,  -0.019)  (  0.064,  -0.000,  -0.014)  ( 0.19,  0.00,  0.01)
182:     vdw     ( -2.723, -10.804, -13.580)  ( -2.723, -10.804, -13.580)  ( 0.00,  0.00,  0.00)
182:     electro (  0.661,  -0.008,   0.910)  (  0.661,  -0.008,   0.910)  ( 0.00,  0.00,  0.00)
182:  7       ( -0.000,  -0.025,   0.003)  (  0.044,  -0.019,  -0.000)  ( 0.00,  0.02,  0.00)
182:     bond    ( -0.276,   9.120,  -8.956)  ( -0.276,   9.125,  -8.952)  ( 0.01,  0.06,  0.04)
182:     angle   ( -2.902,   6.048,  -7.259)  ( -2.902,   6.049,  -7.258)  ( 0.00,  0.01,  0.01)
182:     strbnd  (  4.031,  -4.453,  22.176)  (  4.031,  -4.453,  22.175)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.760,  -0.466,  -0.265)  (  0.760,  -0.466,  -0.265)  ( 0.02,  0.00,  0.00)
182:     oop     ( -0.230,   0.002,   0.039)  ( -0.186,   0.002,   0.031)  ( 1.01,  0.00,  0.03)
182:     vdw     (  1.328,  -4.801,  -4.259)  (  1.328,  -4.800,  -4.259)  ( 0.00,  0.00,  0.00)
182:     electro ( -2.711,  -5.475,  -1.472)  ( -2.711,  -5.475,  -1.472)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.053,   0.027,  -0.033)  ( -0.216,  -0.497,  -0.226)  ( 0.87,  1.39,  0.64)
182:     bond    ( -3.938,   9.942,  -2.316)  ( -3.934,   9.949,  -2.315)  ( 0.12,  0.07,  0.05)
182:     angle   ( -3.540, -17.066,  -4.696)  ( -3.538, -17.064,  -4.695)  ( 0.04,  0.01,  0.02)
182:     strbnd  (  4.437,  -1.012,   2.201)  (  4.437,  -1.013,   2.201)  ( 0.01,  0.09,  0.00)
182:     torsion (  2.311,  -0.228,  -0.758)  (  2.312,  -0.228,  -0.757)  ( 0.01,  0.00,  0.04)
182:     oop     (  1.408,   4.166,   1.238)  (  1.240,   3.633,   1.042)  (11.95, 12.78, 15.83)
182:     vdw     ( -0.128,   4.264,   1.509)  ( -0.128,   4.264,   1.509)  ( 0.00,  0.00,  0.01)
182:     electro ( -0.604,  -0.039,   2.789)  ( -0.604,  -0.039,   2.789)  ( 0.00,  0.00,  0.00)
182:  9       (  0.038,  -0.049,   0.024)  (  0.022,  -0.042,   0.070)  ( 0.06,  0.04,  0.11)
182:     bond    ( -6.811, -11.830,  -2.866)  ( -6.806, -11.826,  -2.865)  ( 0.08,  0.03,  0.04)
182:     angle   ( -5.541,  23.308,  -2.368)  ( -5.540,  23.310,  -2.368)  ( 0.01,  0.01,  0.01)
182:     strbnd  ( -9.346, -15.538,  -3.964)  ( -9.346, -15.538,  -3.964)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.130,   0.142,  -0.104)  ( -0.130,   0.142,  -0.103)  ( 0.00,  0.00,  0.01)
182:     oop     (  0.089,  -0.009,  -0.185)  (  0.068,  -0.007,  -0.140)  ( 0.19,  0.00,  0.82)
182:     vdw     (  4.010,   3.065,   1.034)  (  4.010,   3.065,   1.034)  ( 0.00,  0.00,  0.00)
182:     electro ( 17.767,   0.813,   8.478)  ( 17.767,   0.813,   8.478)  ( 0.00,  0.00,  0.00)
182: 10       ( -0.019,   0.024,  -0.011)  ( -0.016,   0.025,  -0.010)  ( 0.01,  0.00,  0.00)
182:     bond    ( -2.271,   0.707,  -0.996)  ( -2.268,   0.707,  -0.996)  ( 0.12,  0.02,  0.05)
182:     angle   ( -3.799, -14.334,  -1.531)  ( -3.799, -14.334,  -1.531)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -3.911,   0.756,  -1.713)  ( -3.911,   0.756,  -1.713)  ( 0.00,  0.01,  0.00)
182:     torsion ( -1.084,   0.022,   2.483)  ( -1.084,   0.022,   2.483)  ( 0.00,  0.00,  0.01)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 12.753,  14.661,   1.096)  ( 12.753,  14.662,   1.096)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.708,  -1.788,   0.651)  ( -1.708,  -1.788,   0.651)  ( 0.00,  0.00,  0.00)
182: 11       (  0.015,  -0.026,   0.001)  (  0.771,   2.628,   0.451)  ( 1.12,  6.89,  0.06)
182:     bond    (  3.189,  -2.270,  -2.910)  (  3.195,  -2.269,  -2.901)  ( 0.19,  0.03,  0.31)
182:     angle   (-10.982,  12.274, -10.144)  (-10.980,  12.275, -10.142)  ( 0.02,  0.01,  0.02)
182:     strbnd  (  9.932,  -4.142,   5.975)  (  9.932,  -4.142,   5.974)  ( 0.01,  0.00,  0.01)
182:     torsion (  1.366,   0.855,  -1.969)  (  1.366,   0.855,  -1.969)  ( 0.00,  0.01,  0.00)
182:     oop     ( -4.523, -15.083,  -2.694)  ( -3.775, -12.431,  -2.255)  (16.55, 17.58, 16.29)
182:     vdw     ( -4.277,   7.452,   2.371)  ( -4.277,   7.452,   2.371)  ( 0.00,  0.00,  0.00)
182:     electro (  5.310,   0.888,   9.373)  (  5.310,   0.888,   9.373)  ( 0.00,  0.00,  0.00)
182: 12       ( -0.011,   0.000,   0.007)  ( -0.290,  -1.084,  -0.175)  ( 0.29,  0.02,  0.14)
182:     bond    ( 10.583,  -1.441,  -7.782)  ( 10.587,  -1.441,  -7.780)  ( 0.04,  0.01,  0.03)
182:     angle   (  6.221,  -3.313,   9.078)  (  6.221,  -3.312,   9.079)  ( 0.01,  0.00,  0.01)
182:     strbnd  (  0.003,  -0.237,   0.497)  (  0.003,  -0.237,   0.497)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.228,  -0.717,  -0.178)  ( -0.228,  -0.717,  -0.178)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.512,   5.503,   1.038)  (  1.228,   4.419,   0.853)  (18.78, 19.70, 17.87)
182:     vdw     ( -3.491,   1.297,  -0.137)  ( -3.491,   1.297,  -0.137)  ( 0.00,  0.00,  0.00)
182:     electro (-14.610,  -1.093,  -2.508)  (-14.609,  -1.093,  -2.508)  ( 0.00,  0.00,  0.00)
182: 13       ( -0.004,   0.006,  -0.028)  ( -0.292,  -1.034,  -0.161)  ( 0.12,  0.58,  0.38)
182:     bond    ( -0.347,  -2.236,  17.411)  ( -0.347,  -2.236,  17.418)  ( 0.00,  0.01,  0.04)
182:     angle   (  8.341,  -2.202,  -0.117)  (  8.342,  -2.202,  -0.117)  ( 0.01,  0.01,  0.00)
182:     strbnd  (  0.537,  -0.164,  -1.098)  (  0.537,  -0.164,  -1.098)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.007,   0.019,   0.003)  (  0.007,   0.019,   0.003)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.643,   5.440,   0.731)  (  1.355,   4.400,   0.592)  (17.57, 19.11, 10.18)
182:     vdw     ( -4.303,   6.079,  -2.483)  ( -4.303,   6.079,  -2.483)  ( 0.00,  0.00,  0.00)
182:     electro ( -5.883,  -6.929, -14.476)  ( -5.883,  -6.929, -14.476)  ( 0.00,  0.00,  0.00)
182: 14       ( -0.006,   0.009,  -0.025)  ( -0.009,   0.010,  -0.021)  ( 0.00,  0.00,  0.01)
182:     bond    ( -0.262,   0.572,  -1.210)  ( -0.262,   0.573,  -1.207)  ( 0.00,  0.04,  0.25)
182:     angle   (  0.025,   0.262,   0.119)  (  0.025,   0.263,   0.119)  ( 0.00,  0.02,  0.00)
182:     strbnd  ( -0.068,  -0.555,  -0.311)  ( -0.068,  -0.555,  -0.311)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.529,  -0.000,   0.115)  ( -0.529,  -0.000,   0.115)  ( 0.01,  0.00,  0.00)
182:     oop     (  0.026,   0.000,  -0.006)  (  0.022,   0.000,  -0.005)  ( 0.01,  0.00,  0.00)
182:     vdw     (  0.090,  -0.573,   0.418)  (  0.090,  -0.573,   0.418)  ( 0.00,  0.00,  0.00)
182:     electro (  0.711,   0.304,   0.851)  (  0.711,   0.304,   0.851)  ( 0.00,  0.00,  0.00)
182: 15       (  0.011,   0.025,   0.020)  (  0.026,   0.027,   0.019)  ( 0.02,  0.00,  0.00)
182:     bond    ( -0.317,  -1.110,  -1.455)  ( -0.317,  -1.109,  -1.453)  ( 0.00,  0.12,  0.16)
182:     angle   (  0.046,  -0.282,   0.205)  (  0.046,  -0.282,   0.205)  ( 0.00,  0.01,  0.00)
182:     strbnd  ( -0.095,   0.271,  -0.498)  ( -0.095,   0.271,  -0.498)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.381,   0.015,   0.290)  ( -1.380,   0.015,   0.290)  ( 0.02,  0.00,  0.00)
182:     oop     ( -0.079,   0.000,   0.017)  ( -0.065,   0.000,   0.014)  ( 0.11,  0.00,  0.01)
182:     vdw     ( -0.910,  -2.950,   3.814)  ( -0.910,  -2.950,   3.814)  ( 0.00,  0.00,  0.00)
182:     electro (  2.748,   4.081,  -2.353)  (  2.748,   4.081,  -2.353)  ( 0.00,  0.00,  0.00)
182: 16       ( -0.000,  -0.001,   0.020)  (  0.015,   0.001,   0.020)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.218,   1.033,   1.174)  (  0.219,   1.034,   1.176)  ( 0.00,  0.16,  0.18)
182:     angle   ( -0.076,   0.463,  -0.393)  ( -0.076,   0.463,  -0.393)  ( 0.00,  0.02,  0.01)
182:     strbnd  (  0.016,  -0.834,   0.057)  (  0.016,  -0.834,   0.057)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.089,  -0.002,   0.018)  ( -0.089,  -0.002,   0.018)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.109,   0.000,   0.020)  ( -0.094,   0.000,   0.017)  ( 0.17,  0.00,  0.01)
182:     vdw     (  0.013,  -2.157,   0.235)  (  0.013,  -2.157,   0.235)  ( 0.00,  0.00,  0.00)
182:     electro (  0.026,   1.497,  -1.090)  (  0.026,   1.496,  -1.090)  ( 0.00,  0.00,  0.00)
182: 17       ( -0.000,   0.006,  -0.002)  ( -0.000,   0.011,  -0.001)  ( 0.00,  0.00,  0.00)
182:     bond    ( -1.080,  -6.670,   0.744)  ( -1.080,  -6.665,   0.744)  ( 0.02,  0.08,  0.01)
182:     angle   (  2.207,   0.691,   9.393)  (  2.207,   0.691,   9.393)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -0.344,  -1.784,  -0.047)  ( -0.344,  -1.784,  -0.047)  ( 0.00,  0.00,  0.00)
182:     torsion ( -2.062,   0.385,   0.456)  ( -2.062,   0.385,   0.456)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.933,  -2.094,  -5.972)  (  0.933,  -2.094,  -5.971)  ( 0.00,  0.00,  0.00)
182:     electro (  0.346,   9.478,  -4.577)  (  0.346,   9.478,  -4.577)  ( 0.00,  0.00,  0.00)
182: ok 2 # gradients 
182: ok 3 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : fadvub.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
179:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
179:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
179:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
179:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
179:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
179:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
179:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
179:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
179:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
179:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
179:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
179:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
179:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
179:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
179:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
179:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
179:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
179:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
179:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
179:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
179:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
179:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
180:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
180:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
180:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
180:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
180:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
180:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
180:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
180:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
180:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
180:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
180:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
180:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
180:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
180:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
180:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
180: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
180:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
180:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
180:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
180:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
180:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
180:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
180:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
180:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
180:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
180: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
181:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
181:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
181:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
181:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
181:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
181:     electro (  0.266,   0.147,   0.236)  (  0.266,   0.147,   0.236)  ( 0.00,  0.00,  0.00)
181: 13       ( -1.916,   4.711,  -0.986)  ( -1.911,   4.727,  -0.929)  ( 0.21,  0.35,  5.65)
181:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
181:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
181:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
181:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
181:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.309,  -0.078,  -1.642)  ( -1.309,  -0.078,  -1.642)  ( 0.00,  0.00,  0.00)
181: 14       (  6.713,  -5.411,   0.328)  (  6.722,  -5.394,   0.357)  ( 0.13,  0.31,  0.96)
181:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
181:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
181:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
181:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
181:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
181:     electro (  0.386,  -0.392,  -0.495)  (  0.386,  -0.392,  -0.495)  ( 0.00,  0.00,  0.00)
181: 15       ( -5.129,   0.613,  -0.625)  ( -5.079,   0.616,  -0.328)  ( 0.97,  0.16, 18.57)
181:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
181:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
181:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
181:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
181:     electro (  0.002,  -0.007,   0.283)  (  0.002,  -0.007,   0.283)  ( 0.00,  0.00,  0.00)
181: 16       ( -0.296,   0.185,   0.933)  ( -0.303,   0.195,   0.800)  ( 0.21,  0.19, 12.45)
181:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
181:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
181:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
181:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
181:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.314,  -0.010,  -1.094)  ( -0.314,  -0.010,  -1.094)  ( 0.00,  0.00,  0.00)
181: 17       ( -0.587,   0.280,   1.052)  ( -0.579,   0.286,   1.057)  ( 0.46,  0.17,  0.47)
181:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
181:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
181:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
181:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
180:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
180:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
180:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
180:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
180:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
180:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
180:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
180:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
180:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
180:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
180:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
180:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
180:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
180:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
180:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:  1       (  0.032,  -0.022,  -0.017)  (  0.040,  -0.014,  -0.012)  ( 0.03,  0.02,  0.01)
182:     bond    (  4.193,  -0.133,   4.673)  (  4.200,  -0.126,   4.676)  ( 0.15,  0.09,  0.07)
182:     angle   (-17.099,  -3.471,  -8.358)  (-17.096,  -3.469,  -8.356)  ( 0.01,  0.07,  0.03)
182:     strbnd  (  4.695,   5.793,   5.057)  (  4.694,   5.792,   5.057)  ( 0.02,  0.01,  0.01)
182:     torsion ( -0.415,  -0.232,   3.381)  ( -0.415,  -0.232,   3.381)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.119,  -2.488,  -2.762)  ( -0.119,  -2.488,  -2.762)  ( 0.00,  0.00,  0.00)
182:     electro (  8.777,   0.508,  -2.008)  (  8.777,   0.508,  -2.008)  ( 0.00,  0.00,  0.00)
182:  2       ( -0.013,   0.003,   0.000)  ( -0.008,   0.006,   0.001)  ( 0.01,  0.00,  0.00)
182:     bond    (  1.103,  -0.872,   0.032)  (  1.108,  -0.869,   0.032)  ( 0.43,  0.26,  0.00)
182:     angle   (  5.971,   7.760,   4.115)  (  5.971,   7.760,   4.115)  ( 0.00,  0.01,  0.02)
182:     strbnd  ( -1.798,   1.228,  -0.204)  ( -1.798,   1.228,  -0.204)  ( 0.00,  0.01,  0.00)
182:     torsion ( -0.240,  -0.377,  -1.934)  ( -0.240,  -0.377,  -1.934)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -3.447,  -0.778,  -4.529)  ( -3.447,  -0.778,  -4.529)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.601,  -6.958,   2.522)  ( -1.601,  -6.958,   2.522)  ( 0.00,  0.00,  0.00)
182:  3       ( -0.004,   0.032,   0.024)  ( -0.000,   0.037,   0.026)  ( 0.00,  0.02,  0.00)
182:     bond    (  2.117,   3.479,   0.356)  (  2.120,   3.484,   0.357)  ( 0.15,  0.14,  0.04)
182:     angle   (  5.205,   1.489,   6.637)  (  5.206,   1.489,   6.638)  ( 0.02,  0.02,  0.01)
182:     strbnd  (  0.649,  -4.129,  -1.875)  (  0.649,  -4.130,  -1.875)  ( 0.00,  0.01,  0.01)
182:     torsion ( -1.574,   1.955,  -4.025)  ( -1.574,   1.955,  -4.025)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -1.957,  -2.115,  -2.420)  ( -1.957,  -2.115,  -2.420)  ( 0.00,  0.00,  0.00)
182:     electro ( -4.445,  -0.646,   1.351)  ( -4.445,  -0.646,   1.351)  ( 0.00,  0.00,  0.00)
182:  4       (  0.013,   0.008,   0.009)  (  0.018,   0.014,   0.015)  ( 0.01,  0.00,  0.01)
182:     bond    ( -4.350,  -2.902,   1.332)  ( -4.346,  -2.898,   1.336)  ( 0.09,  0.15,  0.33)
182:     angle   (  2.535,   3.636,  -0.898)  (  2.537,   3.638,  -0.897)  ( 0.07,  0.05,  0.15)
182:     strbnd  ( -0.741,  -1.162,   0.765)  ( -0.742,  -1.163,   0.764)  ( 0.06,  0.04,  0.04)
182:     torsion (  0.668,  -0.672,   0.545)  (  0.668,  -0.672,   0.545)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.251,   0.436,  -2.285)  (  0.251,   0.436,  -2.285)  ( 0.00,  0.00,  0.00)
182:     electro (  1.651,   0.673,   0.551)  (  1.651,   0.673,   0.551)  ( 0.00,  0.00,  0.00)
182:  5       ( -0.017,  -0.028,  -0.024)  ( -0.011,  -0.023,  -0.020)  ( 0.01,  0.01,  0.01)
182:     bond    ( -5.276,  10.539,   0.735)  ( -5.272,  10.543,   0.738)  ( 0.08,  0.04,  0.23)
182:     angle   (  5.214, -11.328,   4.079)  (  5.216, -11.326,   4.081)  ( 0.04,  0.02,  0.05)
182:     strbnd  (  0.208,   1.026,  -1.791)  (  0.207,   1.025,  -1.792)  ( 0.01,  0.09,  0.06)
182:     torsion (  1.012,   1.023,  -1.293)  (  1.012,   1.023,  -1.293)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -3.996,  -2.526,  -2.331)  ( -3.996,  -2.526,  -2.331)  ( 0.00,  0.00,  0.00)
182:     electro (  2.822,   1.238,   0.577)  (  2.822,   1.238,   0.577)  ( 0.00,  0.00,  0.00)
182:  6       (  0.047,   0.015,  -0.035)  (  0.053,   0.020,  -0.030)  ( 0.03,  0.01,  0.02)
182:     bond    (  3.643,  -8.573,  -2.156)  (  3.647,  -8.569,  -2.152)  ( 0.12,  0.05,  0.18)
182:     angle   ( -3.553,  12.963,  -7.820)  ( -3.551,  12.965,  -7.818)  ( 0.05,  0.02,  0.03)
182:     strbnd  (  3.941,  -0.711,   4.570)  (  3.941,  -0.712,   4.569)  ( 0.01,  0.05,  0.02)
182:     torsion ( -0.466,  -2.160,   2.319)  ( -0.466,  -2.160,   2.319)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -3.518,  -1.505,   3.052)  ( -3.518,  -1.505,   3.052)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:  7       (  0.020,   0.062,  -0.058)  ( -0.071,   0.288,  -0.172)  ( 0.18,  1.40,  0.66)
182:     bond    ( 11.219,  18.634,   3.192)  ( 11.222,  18.638,   3.196)  ( 0.03,  0.02,  0.12)
182:     angle   ( -2.190, -11.744,   1.811)  ( -2.188, -11.742,   1.813)  ( 0.09,  0.02,  0.12)
182:     strbnd  ( -6.827,  -7.330,  -8.396)  ( -6.828,  -7.331,  -8.397)  ( 0.01,  0.01,  0.01)
182:     torsion ( -2.070,   0.870,   0.194)  ( -2.070,   0.870,   0.194)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.043,  -2.385,   1.346)  (  0.948,  -2.164,   1.226)  ( 9.15,  9.24,  8.89)
182:     vdw     ( -0.143,   1.896,   2.023)  ( -0.143,   1.896,   2.023)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.011,   0.120,  -0.229)  ( -1.011,   0.120,  -0.229)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.037,  -0.036,   0.030)  ( -0.030,  -0.029,   0.037)  ( 0.03,  0.02,  0.02)
182:     bond    ( 31.436,  -5.462,  -8.582)  ( 31.441,  -5.456,  -8.577)  ( 0.02,  0.09,  0.06)
182:     angle   ( 24.318,   2.673, -13.460)  ( 24.320,   2.675, -13.458)  ( 0.01,  0.08,  0.02)
182:     strbnd  ( -3.349,   3.958,   4.185)  ( -3.349,   3.958,   4.185)  ( 0.01,  0.01,  0.01)
182:     torsion (  0.865,   0.668,  -0.128)  (  0.865,   0.668,  -0.128)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (-15.296,  -0.490,   6.181)  (-15.295,  -0.490,   6.182)  ( 0.00,  0.00,  0.00)
182:     electro (-38.012,  -1.383,  11.833)  (-38.012,  -1.383,  11.833)  ( 0.00,  0.01,  0.00)
182:  9       ( -0.084,   0.011,   0.103)  (  0.977,  -2.037,   1.266)  ( 8.96,  2.15, 12.00)
182:     bond    (-24.944,   7.709,  33.079)  (-24.940,   7.712,  33.088)  ( 0.01,  0.04,  0.03)
182:     angle   (-17.079,   0.187,  13.198)  (-17.077,   0.188,  13.199)  ( 0.01,  0.02,  0.01)
182:     strbnd  ( 11.466,  -5.334, -19.281)  ( 11.465,  -5.335, -19.282)  ( 0.01,  0.01,  0.01)
182:     torsion (  0.142,  -0.694,  -0.397)  (  0.142,  -0.694,  -0.396)  ( 0.00,  0.00,  0.00)
182:     oop     ( -4.647,   9.685,  -5.474)  ( -3.590,   7.635,  -4.320)  (22.74, 21.18, 21.08)
182:     vdw     (  6.485,  -1.479,  -2.117)  (  6.485,  -1.479,  -2.117)  ( 0.00,  0.00,  0.00)
182:     electro ( 28.493, -10.064, -18.905)  ( 28.493, -10.064, -18.904)  ( 0.00,  0.00,  0.00)
182: 10       (  0.052,  -0.027,  -0.107)  ( -0.475,   0.999,  -0.671)  ( 2.75,  2.73,  6.04)
182:     bond    (  7.223,  -4.901, -15.530)  (  7.224,  -4.900, -15.524)  ( 0.02,  0.01,  0.04)
182:     angle   ( -0.823,   0.087,  -0.410)  ( -0.822,   0.087,  -0.410)  ( 0.06,  0.00,  0.00)
182:     strbnd  ( -5.921,   2.262,   9.306)  ( -5.920,   2.262,   9.306)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.293,   0.686,  -0.353)  ( -0.293,   0.686,  -0.353)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.878,  -3.841,   2.086)  (  1.349,  -2.816,   1.517)  (28.20, 26.69, 27.32)
182:     vdw     ( 10.301,   3.828,   1.517)  ( 10.301,   3.828,   1.517)  ( 0.00,  0.00,  0.00)
182:     electro (-12.313,   1.852,   3.276)  (-12.313,   1.852,   3.276)  ( 0.00,  0.00,  0.00)
182: 11       (  0.001,  -0.001,  -0.007)  ( -0.428,   0.808,  -0.467)  ( 0.06,  0.12,  0.34)
182:     bond    ( -5.364, -10.247, -12.843)  ( -5.364, -10.244, -12.839)  ( 0.01,  0.02,  0.03)
182:     angle   ( 17.615,   2.690,  -9.506)  ( 17.616,   2.690,  -9.506)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -0.975,   4.889,   8.707)  ( -0.975,   4.889,   8.707)  ( 0.01,  0.00,  0.00)
182:     torsion (  0.208,  -0.464,   0.284)  (  0.208,  -0.464,   0.284)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.725,  -3.462,   2.041)  (  1.294,  -2.654,   1.578)  (24.99, 23.32, 22.72)
182:     vdw     ( 20.549,   2.004,  -4.094)  ( 20.550,   2.004,  -4.094)  ( 0.00,  0.00,  0.00)
182:     electro (-33.756,   4.588,  15.404)  (-33.756,   4.588,  15.404)  ( 0.00,  0.00,  0.00)
182: 12       ( -0.014,  -0.020,  -0.003)  ( -0.011,  -0.018,  -0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
179:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
179:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
179:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
179:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
179:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
179:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
179: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
179:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
179:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
179:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
179:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
179:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
179:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
179: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
179:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
179:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
179:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
179: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
179:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
179:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
179:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
179:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
179: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
179:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
179:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
179:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
179: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
179:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
179:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
180:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
180:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
180:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
180:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
180:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
180:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
180:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
180:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
180:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
180:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
180:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
180:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
180:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
180:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
180:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
180:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
180:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
180:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
180:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
180:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
180:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
180:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
180:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
180:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: ok 10 # gradients 
180: ok 11 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : surdox02.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
182:     bond    ( -2.108,  -1.364,   0.667)  ( -2.104,  -1.362,   0.667)  ( 0.15,  0.09,  0.02)
182:     angle   (  1.431,  -3.486,  -2.605)  (  1.431,  -3.486,  -2.605)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -0.286,  -0.078,   0.143)  ( -0.286,  -0.077,   0.143)  ( 0.00,  0.00,  0.00)
182:     torsion (  1.600,  -1.233,   2.529)  (  1.600,  -1.233,   2.529)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.031,  -0.022,  -0.112)  ( -0.031,  -0.022,  -0.112)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.620,   6.163,  -0.625)  ( -0.620,   6.163,  -0.625)  ( 0.00,  0.00,  0.00)
182: 13       ( -0.027,   0.011,  -0.004)  ( -0.024,   0.012,  -0.004)  ( 0.01,  0.00,  0.00)
182:     bond    (  0.777,  -0.529,   0.119)  (  0.779,  -0.528,   0.119)  ( 0.18,  0.06,  0.00)
182:     angle   ( -0.885,  -1.096,   0.925)  ( -0.884,  -1.096,   0.926)  ( 0.01,  0.03,  0.04)
182:     strbnd  ( -1.504,   0.684,  -0.090)  ( -1.504,   0.684,  -0.090)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.038,  -0.109,  -0.234)  ( -0.038,  -0.109,  -0.234)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.623,   1.061,  -0.724)  (  1.623,   1.061,  -0.724)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 14       ( -0.007,  -0.027,  -0.010)  ( -0.006,  -0.024,  -0.009)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.115,   1.126,   0.629)  (  0.115,   1.129,   0.630)  ( 0.00,  0.23,  0.05)
182:     angle   ( -0.934,  -0.881,   1.748)  ( -0.934,  -0.881,   1.748)  ( 0.05,  0.01,  0.02)
182:     strbnd  ( -0.363,  -1.245,  -0.504)  ( -0.363,  -1.245,  -0.504)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.233,   0.175,  -0.272)  ( -0.233,   0.175,  -0.272)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.409,   0.798,  -1.611)  (  1.409,   0.798,  -1.611)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 15       ( -0.001,  -0.003,  -0.008)  ( -0.000,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.078,   0.087,  -0.487)  ( -0.077,   0.087,  -0.484)  ( 0.00,  0.00,  0.16)
182:     angle   ( -0.356,  -1.049,  -0.131)  ( -0.355,  -1.048,  -0.131)  ( 0.02,  0.04,  0.00)
182:     strbnd  ( -0.107,  -0.325,   1.008)  ( -0.107,  -0.325,   1.008)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.227,   0.446,   0.116)  ( -0.227,   0.446,   0.116)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.767,   0.838,  -0.514)  (  0.767,   0.839,  -0.514)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 16       ( -0.007,   0.000,   0.002)  ( -0.004,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.169,  -0.061,   0.004)  (  0.172,  -0.060,   0.004)  ( 0.05,  0.00,  0.00)
182:     angle   (  1.751,   5.151,   2.051)  (  1.751,   5.151,   2.052)  ( 0.00,  0.01,  0.03)
182:     strbnd  ( -0.007,   0.573,  -0.048)  ( -0.007,   0.573,  -0.048)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.110,  -0.369,  -0.744)  ( -0.110,  -0.369,  -0.744)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -1.811,  -5.293,  -1.262)  ( -1.811,  -5.293,  -1.262)  ( 0.00,  0.00,  0.01)
182:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 17       ( -0.003,  -0.013,   0.004)  ( -0.001,  -0.011,   0.005)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.206,   1.529,  -0.696)  (  1.207,   1.530,  -0.695)  ( 0.10,  0.12,  0.03)
182:     angle   ( -0.729,  -0.235,  -1.783)  ( -0.729,  -0.235,  -1.782)  ( 0.02,  0.01,  0.03)
182:     strbnd  ( -0.850,  -0.116,   0.251)  ( -0.850,  -0.116,   0.251)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.296,   0.197,   0.948)  (  0.296,   0.197,   0.948)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.074,  -1.387,   1.283)  (  0.074,  -1.387,   1.284)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 18       ( -0.002,  -0.011,   0.015)  ( -0.001,  -0.009,   0.017)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.434,  -2.155,   1.394)  ( -0.434,  -2.153,   1.395)  ( 0.00,  0.11,  0.07)
182:     angle   (  1.665,  -1.741,  -2.169)  (  1.666,  -1.741,  -2.169)  ( 0.03,  0.01,  0.02)
182:     strbnd  (  0.479,   0.577,  -0.839)  (  0.479,   0.577,  -0.839)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.578,  -0.321,  -0.316)  (  0.578,  -0.321,  -0.316)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -2.290,   3.630,   1.944)  ( -2.290,   3.630,   1.945)  ( 0.00,  0.00,  0.01)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 19       ( -0.048,  -0.003,   0.010)  ( -0.045,  -0.002,   0.010)  ( 0.02,  0.00,  0.00)
182:     bond    (  3.011,  -0.074,  -0.795)  (  3.014,  -0.074,  -0.795)  ( 0.10,  0.00,  0.02)
182:     angle   (  0.861,   0.161,   3.246)  (  0.861,   0.162,   3.247)  ( 0.00,  0.01,  0.02)
182:     strbnd  ( -1.180,  -0.479,   0.265)  ( -1.180,  -0.479,   0.265)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.346,   0.357,  -1.346)  ( -0.346,   0.357,  -1.346)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -2.394,   0.033,  -1.359)  ( -2.394,   0.033,  -1.359)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 20       ( -0.003,  -0.042,   0.032)  ( -0.002,  -0.039,   0.034)  ( 0.00,  0.01,  0.00)
182:     bond    ( -0.042,   1.240,  -0.654)  ( -0.042,   1.243,  -0.653)  ( 0.00,  0.21,  0.05)
182:     angle   ( -0.781,  -1.615,  -3.020)  ( -0.780,  -1.614,  -3.020)  ( 0.04,  0.01,  0.02)
182:     strbnd  ( -0.130,   0.941,   1.010)  ( -0.130,   0.941,   1.010)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.609,   0.345,   0.616)  (  0.609,   0.345,   0.616)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.342,  -0.953,   2.080)  (  0.342,  -0.953,   2.080)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 21       (  0.012,   0.012,  -0.003)  (  0.014,   0.013,  -0.002)  ( 0.00,  0.00,  0.00)
182:     bond    (-16.919,  -7.195,  -8.595)  (-16.917,  -7.195,  -8.594)  ( 0.02,  0.01,  0.01)
182:     angle   ( -8.625,   3.959,  13.661)  ( -8.625,   3.959,  13.662)  ( 0.00,  0.01,  0.00)
182:     strbnd  (  0.614,  -0.231,  -0.297)  (  0.614,  -0.231,  -0.297)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.035,  -0.717,   0.668)  ( -0.035,  -0.717,   0.668)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -6.207,   2.647,   6.206)  ( -6.207,   2.647,   6.206)  ( 0.00,  0.00,  0.00)
182:     electro ( 31.183,   1.549, -11.648)  ( 31.183,   1.549, -11.648)  ( 0.00,  0.01,  0.00)
182: 22       (  0.006,   0.001,  -0.013)  (  0.008,   0.003,  -0.011)  ( 0.00,  0.00,  0.00)
182:     bond    ( -4.934,  -3.520,   6.017)  ( -4.932,  -3.519,   6.019)  ( 0.03,  0.02,  0.04)
182:     angle   ( -3.213,   0.593,  -2.286)  ( -3.213,   0.593,  -2.286)  ( 0.01,  0.03,  0.01)
182:     strbnd  (  1.267,  -0.292,  -1.268)  (  1.267,  -0.292,  -1.268)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.847,   0.124,  -0.622)  ( -0.847,   0.124,  -0.622)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.353,   0.460,   0.417)  ( -0.353,   0.460,   0.417)  ( 0.00,  0.00,  0.00)
182:     electro (  8.086,   2.636,  -2.271)  (  8.086,   2.636,  -2.271)  ( 0.00,  0.00,  0.00)
182: 23       (  0.007,   0.003,  -0.009)  (  0.008,   0.006,  -0.008)  ( 0.00,  0.00,  0.00)
182:     bond    ( -1.822,   3.586,  -1.944)  ( -1.821,   3.589,  -1.943)  ( 0.04,  0.08,  0.04)
181:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.257,  -0.389,  -0.500)  ( -0.257,  -0.389,  -0.500)  ( 0.00,  0.00,  0.00)
181: 18       ( -0.846,  -0.010,   0.550)  ( -0.842,   0.000,   0.524)  ( 0.36,  0.01,  1.42)
181:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
181:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
181:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
181:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
181:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.234,   0.627,  -0.159)  ( -0.234,   0.627,  -0.159)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.802,  -0.231,  -0.241)  ( -0.792,  -0.227,  -0.209)  ( 0.79,  0.10,  0.77)
181:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
181:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
181:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
181:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
181:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.587,  -0.644,  -0.207)  ( -0.587,  -0.644,  -0.207)  ( 0.00,  0.00,  0.00)
181: 20       ( -0.443,  -0.226,  -0.393)  ( -0.448,  -0.219,  -0.464)  ( 0.20,  0.16,  2.79)
181:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
181:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
181:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
181:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.635,  -0.582,  -0.260)  ( -0.635,  -0.582,  -0.260)  ( 0.00,  0.00,  0.00)
181: 21       (  0.070,   0.058,   0.371)  (  0.080,  -0.012,   0.135)  ( 0.07,  0.40,  8.76)
181:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
181:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
181:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
181:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
181:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.681,   0.147,   0.808)  ( -0.681,   0.147,   0.808)  ( 0.00,  0.00,  0.00)
181: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
181:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
181:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
181:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
181:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
181:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
182:     angle   (-10.320,  -4.719,   0.955)  (-10.319,  -4.719,   0.956)  ( 0.01,  0.00,  0.04)
182:     strbnd  (  0.722,  -0.493,  -0.668)  (  0.722,  -0.493,  -0.668)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.917,   0.500,   0.064)  (  0.917,   0.500,   0.064)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.240,   1.405,   1.413)  ( -0.240,   1.405,   1.413)  ( 0.00,  0.00,  0.00)
182:     electro ( 10.749,  -0.275,   0.171)  ( 10.749,  -0.275,   0.171)  ( 0.00,  0.00,  0.00)
182: ok 4 # gradients 
182: ok 5 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : fiybiy.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
179:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
179:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
179: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
179:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
179:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
179:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
179: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
179:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
179:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
179:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
179: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
179:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
179:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
179:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
179:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
179: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
179:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
179:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
179:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
179: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
179:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
179:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
179:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
180:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
180:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
180:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
180:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
180:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
180:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
180:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
180:  2       ( -0.031,  -0.005,  -0.000)  ( -0.036,   0.000,   0.210)  ( 0.02,  0.00,  0.01)
180:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
180:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
180:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
180:     torsion (  0.950,   0.026,  -1.404)  (  0.950,   0.026,  -1.404)  ( 0.01,  0.00,  0.03)
180:     oop     (  0.109,   0.015,  -1.009)  (  0.099,   0.012,  -0.800)  ( 0.10,  0.00, 20.76)
180:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:  3       (  0.030,  -0.079,  -0.004)  ( -0.460,  -0.155,   0.812)  ( 1.47,  0.60,  0.36)
180:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
180:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
180:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
180:     torsion ( -4.285,   0.335,   9.829)  ( -4.285,   0.335,   9.829)  ( 0.00,  0.00,  0.00)
180:     oop     (  3.601,   1.017,  -6.100)  (  3.104,   0.933,  -5.286)  (13.80,  8.25, 13.34)
180:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
180:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
180:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
180:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
180:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
180:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
180:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
180:  5       (  0.011,   0.000,   0.007)  (  0.314,   0.017,  -0.395)  ( 0.34,  0.00,  0.28)
180:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
180:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
180:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
180:     torsion (  2.685,  -0.730,  -3.574)  (  2.685,  -0.730,  -3.574)  ( 0.00,  0.00,  0.00)
180:     oop     ( -2.057,  -0.336,   2.792)  ( -1.758,  -0.320,   2.387)  (14.55,  0.54, 14.48)
180:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
180:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.032,   0.038,  -0.003)  (  0.117,   0.131,  -0.383)  ( 0.49,  0.35,  0.12)
180:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
180:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
180:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.960,   0.517,  -5.145)  (  0.960,   0.517,  -5.145)  ( 0.00,  0.00,  0.00)
180:     oop     ( -1.271,  -0.767,   3.004)  ( -1.123,  -0.679,   2.624)  (11.64,  6.80, 12.66)
180:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
180:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
180:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
180:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
180:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
180:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
180:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.030,   0.041,  -0.031)  ( -0.521,   0.105,   0.787)  ( 1.48,  0.26,  2.57)
180:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
180:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
180:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
180:     torsion ( -4.280,  -0.668,   9.814)  ( -4.280,  -0.668,   9.814)  ( 0.00,  0.00,  0.00)
180:     oop     (  3.611,  -0.800,  -6.126)  (  3.114,  -0.745,  -5.311)  (13.78,  4.38, 13.32)
180:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
180:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
180:  9       (  0.044,  -0.007,   0.032)  (  0.346,  -0.007,  -0.371)  ( 1.32,  0.00,  1.28)
180:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
180:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
180:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
180:     torsion (  2.677,   0.863,  -3.551)  (  2.677,   0.863,  -3.551)  ( 0.00,  0.00,  0.00)
180:     oop     ( -2.060,   0.232,   2.800)  ( -1.761,   0.231,   2.396)  (14.53,  0.03, 14.45)
180:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
180:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
180: 10       ( -0.012,  -0.017,  -0.002)  (  0.139,  -0.089,  -0.384)  ( 0.17,  0.12,  0.07)
180:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
180:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
180:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.965,  -0.356,  -5.158)  (  0.965,  -0.356,  -5.158)  ( 0.00,  0.00,  0.00)
180:     oop     ( -1.278,   0.666,   3.025)  ( -1.130,   0.590,   2.642)  (11.64,  5.06, 12.65)
180:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
180:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
180: ok 12 # gradients 
180: ok 13 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : valwou.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
180:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
180:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
180:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
180:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
180:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
180:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
180:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
180:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
180:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
180:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
180:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
180:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
180:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
180:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
180:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
180:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
180:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
180:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
180:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
180:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
180:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
180:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
180:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
180:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
180:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
180:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
180:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
180:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
180:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
180:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
179: 40       ( -0.101,   0.325,   0.544)  ( -0.076,   0.526,   0.340)  ( 0.26,  6.53, 11.09)
179:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
179:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
179:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
179:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
179: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
179:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
179:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
179:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
179: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
179:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
179:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
179:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
179: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
179:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
179:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
179:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
179: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
179:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
179:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
179:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
179:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
179:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
179: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
179:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
179:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
179:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
180:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
180:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
180:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
180:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
180:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
180:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
180:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
180:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
180:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
180:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
180:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
180:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
180:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
180:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
180:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
180:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
180:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
180: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
180:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
180:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
180:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
180: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
180:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
180:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
180:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
180:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
180:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
180: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
182:  1       ( -0.037,   0.000,  -0.051)  ( -0.039,   0.006,  -0.047)  ( 0.01,  0.00,  0.02)
182:     bond    (  7.810,  -1.840,   7.980)  (  7.815,  -1.832,   7.984)  ( 0.05,  0.48,  0.05)
182:     angle   ( -4.687,  -2.600,  -7.659)  ( -4.685,  -2.598,  -7.656)  ( 0.05,  0.09,  0.03)
182:     strbnd  (  1.520,  -7.648,  19.637)  (  1.519,  -7.649,  19.636)  ( 0.05,  0.01,  0.00)
182:     torsion (  0.281,  -0.182,  -0.226)  (  0.281,  -0.182,  -0.226)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.047,   0.028,   0.008)  (  0.040,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
182:     vdw     ( -0.861,  -7.381,   0.991)  ( -0.861,  -7.381,   0.991)  ( 0.00,  0.00,  0.01)
182:     electro ( -4.147,  19.624, -20.782)  ( -4.147,  19.624, -20.782)  ( 0.00,  0.00,  0.00)
182:  2       (  0.015,  -0.021,  -0.013)  (  0.016,  -0.015,  -0.011)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.188,  -1.235,  -0.576)  (  0.188,  -1.229,  -0.574)  ( 0.00,  0.51,  0.08)
182:     angle   (  2.833,  -2.246,   5.734)  (  2.833,  -2.246,   5.734)  ( 0.02,  0.01,  0.01)
182:     strbnd  (  0.058,  -0.206,   0.531)  (  0.058,  -0.206,   0.531)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.582,  -0.145,   0.120)  ( -0.582,  -0.145,   0.120)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -2.490,  -0.763,  -6.600)  ( -2.490,  -0.763,  -6.600)  ( 0.00,  0.00,  0.00)
182:     electro (  0.009,   4.575,   0.778)  (  0.009,   4.575,   0.778)  ( 0.00,  0.00,  0.00)
182:  3       ( -0.083,   0.019,  -0.119)  ( -0.123,   0.094,  -0.069)  ( 0.34,  0.14,  0.60)
182:     bond    ( -1.055,   0.134,  -1.295)  ( -1.051,   0.134,  -1.289)  ( 0.35,  0.00,  0.43)
182:     angle   ( -0.395,  -0.549,   0.265)  ( -0.395,  -0.548,   0.265)  ( 0.02,  0.03,  0.01)
182:     strbnd  ( -4.612,   1.446,  -7.083)  ( -4.612,   1.446,  -7.083)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.187,   0.312,   0.185)  ( -0.187,   0.312,   0.185)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.225,  -0.371,  -0.222)  (  0.180,  -0.296,  -0.178)  ( 1.01,  2.75,  0.99)
182:     vdw     ( -0.123,   0.138,  -0.190)  ( -0.123,   0.138,  -0.190)  ( 0.00,  0.00,  0.00)
182:     electro (  6.064,  -1.092,   8.221)  (  6.064,  -1.092,   8.221)  ( 0.00,  0.00,  0.00)
182:  4       ( -0.072,  -0.017,  -0.030)  ( -0.094,   0.028,  -0.000)  ( 0.16,  0.08,  0.09)
182:     bond    ( -0.836,  -8.517,  13.382)  ( -0.832,  -8.516,  13.384)  ( 0.33,  0.01,  0.02)
182:     angle   (  7.130,   8.296, -11.537)  (  7.131,   8.297, -11.535)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -2.982,  -0.215,  -2.921)  ( -2.982,  -0.215,  -2.921)  ( 0.00,  0.00,  0.01)
182:     torsion (  0.423,   0.846,  -0.211)  (  0.423,   0.846,  -0.211)  ( 0.00,  0.01,  0.00)
182:     oop     (  0.186,  -0.302,  -0.180)  (  0.159,  -0.259,  -0.154)  ( 0.49,  1.29,  0.46)
182:     vdw     ( -2.535,   5.528,  -3.997)  ( -2.535,   5.528,  -3.997)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.458,  -5.655,   5.433)  ( -1.458,  -5.655,   5.433)  ( 0.00,  0.00,  0.00)
182:  5       (  0.010,   0.036,  -0.046)  ( -0.018,   0.093,  -0.011)  ( 0.03,  0.20,  0.16)
182:     bond    ( -5.684,   0.935,   3.018)  ( -5.681,   0.938,   3.021)  ( 0.04,  0.31,  0.10)
182:     angle   ( 19.037,   0.921,   3.045)  ( 19.039,   0.921,   3.046)  ( 0.01,  0.05,  0.03)
182:     strbnd  ( -4.528,   0.738,   3.763)  ( -4.528,   0.738,   3.763)  ( 0.01,  0.01,  0.00)
182:     torsion (  0.060,   0.659,   0.624)  (  0.060,   0.659,   0.624)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.189,  -0.311,  -0.184)  (  0.157,  -0.258,  -0.153)  ( 0.60,  1.64,  0.57)
182:     vdw     (-16.349, -10.170, -11.577)  (-16.349, -10.170, -11.576)  ( 0.00,  0.00,  0.00)
182:     electro (  7.284,   7.264,   1.264)  (  7.284,   7.264,   1.264)  ( 0.00,  0.00,  0.00)
182:  6       ( -0.067,   0.088,   0.083)  ( -0.052,   0.101,   0.090)  ( 0.10,  0.11,  0.06)
182:     bond    ( -0.701,  -2.222,  11.603)  ( -0.699,  -2.218,  11.607)  ( 0.11,  0.18,  0.03)
182:     angle   ( -0.364,  -2.925,  13.817)  ( -0.363,  -2.923,  13.819)  ( 0.02,  0.05,  0.01)
182:     strbnd  (  0.639,   2.955, -12.934)  (  0.639,   2.955, -12.935)  ( 0.00,  0.00,  0.00)
181:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
181:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
181:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (  0.006,  -0.005,   0.058)  (  0.012,   0.000,   0.060)  ( 0.00,  0.00,  0.02)
181:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
181:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
181:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
181:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
181:     electro (  3.966,   0.797,   1.529)  (  3.966,   0.797,   1.529)  ( 0.00,  0.00,  0.00)
181: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
181:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
181:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
181:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
181:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( -0.228,   0.018,   0.143)  ( -0.223,   0.024,   0.149)  ( 0.11,  0.01,  0.08)
181:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
181:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
181:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
181:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
181:     electro (  3.125,  -0.209,   0.725)  (  3.125,  -0.209,   0.725)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
181:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
181:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
181:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
181:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( -0.164,   0.308,   0.056)  ( -0.159,   0.314,   0.060)  ( 0.08,  0.19,  0.03)
181:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
181:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
181:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
181:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
180:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
180:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
180:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
180:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
180:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
180: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
180:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
180:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
180:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
180:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
180:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
180:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
180:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
180:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
180:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
180: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
180:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
180:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
180:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
180:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
180:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
180:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
180:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
180:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
180:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
180: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
180:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
180:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
180:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
180:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
180:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
180:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
180:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
180:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
180:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
180:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
180:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
180:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
180:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
180:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
180:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
180:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
180:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
180:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
180:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
180:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
182:     torsion (  2.329,   1.562,   0.380)  (  2.330,   1.562,   0.380)  ( 0.03,  0.02,  0.00)
182:     oop     ( -0.074,  -0.043,  -0.014)  ( -0.062,  -0.036,  -0.012)  ( 0.09,  0.03,  0.00)
182:     vdw     ( -1.895,   0.720, -12.746)  ( -1.895,   0.720, -12.746)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.002,   0.041,  -0.023)  ( -0.002,   0.041,  -0.023)  ( 0.00,  0.00,  0.00)
182:  7       (  0.013,  -0.054,   0.044)  (  0.021,  -0.046,   0.052)  ( 0.01,  0.04,  0.03)
182:     bond    ( -7.170,  10.526,   6.570)  ( -7.169,  10.530,   6.576)  ( 0.02,  0.04,  0.08)
182:     angle   (  2.588,  -3.055,  -4.852)  (  2.588,  -3.053,  -4.850)  ( 0.02,  0.04,  0.03)
182:     strbnd  ( -1.496,   3.392,  -2.547)  ( -1.496,   3.392,  -2.547)  ( 0.00,  0.00,  0.01)
182:     torsion ( -1.418,  -0.816,  -0.200)  ( -1.417,  -0.816,  -0.200)  ( 0.07,  0.03,  0.00)
182:     oop     ( -0.027,  -0.014,  -0.002)  ( -0.022,  -0.012,  -0.002)  ( 0.01,  0.00,  0.00)
182:     vdw     (  6.692,  -9.975,  -2.511)  (  6.692,  -9.975,  -2.511)  ( 0.00,  0.00,  0.01)
182:     electro (  0.844,  -0.112,   3.586)  (  0.844,  -0.112,   3.586)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.029,   0.068,  -0.054)  ( -0.019,   0.078,  -0.046)  ( 0.03,  0.07,  0.04)
182:     bond    ( -5.733,  10.916,  -5.111)  ( -5.731,  10.920,  -5.106)  ( 0.03,  0.04,  0.10)
182:     angle   ( -0.069,   0.148,  -0.147)  ( -0.069,   0.149,  -0.145)  ( 0.00,  0.02,  0.02)
182:     strbnd  (  0.254,  -0.317,  -0.321)  (  0.254,  -0.317,  -0.321)  ( 0.00,  0.00,  0.01)
182:     torsion ( -0.506,  -0.295,  -0.082)  ( -0.505,  -0.294,  -0.082)  ( 0.05,  0.01,  0.00)
182:     oop     ( -0.039,  -0.023,  -0.006)  ( -0.033,  -0.019,  -0.005)  ( 0.03,  0.01,  0.00)
182:     vdw     (  5.846, -11.080,   5.290)  (  5.846, -11.080,   5.290)  ( 0.00,  0.00,  0.00)
182:     electro (  0.218,   0.720,   0.323)  (  0.218,   0.720,   0.323)  ( 0.00,  0.00,  0.00)
182:  9       ( -0.014,   0.016,  -0.063)  (  0.004,   0.030,  -0.053)  ( 0.02,  0.02,  0.06)
182:     bond    (  0.583,   2.170, -13.287)  (  0.585,   2.174, -13.282)  ( 0.09,  0.18,  0.04)
182:     angle   (  0.007,  -0.113,   0.340)  (  0.007,  -0.112,   0.341)  ( 0.00,  0.01,  0.06)
182:     strbnd  (  0.032,  -0.099,   0.170)  (  0.032,  -0.099,   0.170)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.193,  -0.115,  -0.023)  ( -0.192,  -0.114,  -0.023)  ( 0.02,  0.00,  0.00)
182:     oop     ( -0.086,  -0.051,  -0.013)  ( -0.072,  -0.043,  -0.011)  ( 0.13,  0.04,  0.00)
182:     vdw     ( -0.816,  -2.222,  14.046)  ( -0.816,  -2.222,  14.046)  ( 0.00,  0.00,  0.00)
182:     electro (  0.459,   0.446,  -1.294)  (  0.459,   0.446,  -1.294)  ( 0.00,  0.00,  0.00)
182: 10       (  0.012,  -0.026,   0.043)  (  0.023,  -0.017,   0.051)  ( 0.01,  0.03,  0.03)
182:     bond    (  6.512,  -8.973,  -7.628)  (  6.514,  -8.969,  -7.623)  ( 0.03,  0.05,  0.07)
182:     angle   (  0.058,  -0.079,  -0.055)  (  0.058,  -0.078,  -0.054)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -0.185,   0.392,  -0.179)  ( -0.185,   0.392,  -0.179)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.572,  -0.345,  -0.095)  ( -0.571,  -0.345,  -0.095)  ( 0.05,  0.01,  0.00)
182:     oop     ( -0.040,  -0.024,  -0.007)  ( -0.032,  -0.020,  -0.005)  ( 0.03,  0.01,  0.00)
182:     vdw     ( -6.571,   9.136,   7.766)  ( -6.571,   9.136,   7.766)  ( 0.00,  0.00,  0.00)
182:     electro (  0.809,  -0.133,   0.241)  (  0.809,  -0.133,   0.241)  ( 0.00,  0.00,  0.00)
182: 11       (  0.067,  -0.113,  -0.076)  (  0.083,  -0.099,  -0.068)  ( 0.11,  0.16,  0.06)
182:     bond    (  6.849, -12.437,   4.398)  (  6.851, -12.433,   4.404)  ( 0.02,  0.03,  0.12)
182:     angle   ( -2.678,   5.816,  -4.951)  ( -2.677,   5.818,  -4.949)  ( 0.02,  0.02,  0.03)
182:     strbnd  (  2.697,  -3.157,  -4.284)  (  2.697,  -3.158,  -4.284)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.703,  -1.064,  -0.247)  ( -1.702,  -1.063,  -0.247)  ( 0.06,  0.03,  0.00)
182:     oop     ( -0.078,  -0.050,  -0.010)  ( -0.065,  -0.042,  -0.009)  ( 0.10,  0.04,  0.00)
182:     vdw     ( -5.728,  10.270,   1.476)  ( -5.728,  10.270,   1.476)  ( 0.00,  0.00,  0.01)
182:     electro (  0.708,   0.510,   3.541)  (  0.708,   0.510,   3.542)  ( 0.00,  0.00,  0.00)
182: 12       (  0.104,  -0.040,   0.163)  (  0.215,  -0.206,   0.071)  ( 1.16,  0.66,  1.49)
179:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
179:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
179:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
179: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
179:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
179:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
179: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
179:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
179:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
179:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
179:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
179:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
179:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
179:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
179:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
179:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
179:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
181:     electro ( 10.015,   1.730,  -2.393)  ( 10.015,   1.730,  -2.393)  ( 0.00,  0.00,  0.00)
181: 29       ( -0.089,   0.132,  -0.028)  ( -0.179,   0.268,   0.043)  ( 0.80,  1.80,  0.20)
181:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
181:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
181:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
181:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
181:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
181:     electro (  0.191,   0.672,   1.426)  (  0.191,   0.672,   1.426)  ( 0.00,  0.00,  0.00)
181: 30       ( -1.041,   1.402,   0.516)  ( -0.321,   0.483,   0.053)  (69.21, 65.53, 23.86)
181:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
181:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
181:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
181:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
181:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
181:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.744,  -1.090,  -4.069)  ( -2.744,  -1.090,  -4.069)  ( 0.00,  0.00,  0.00)
181: 31       (  0.881,  -1.368,  -1.069)  (  0.567,  -0.962,  -0.854)  (27.76, 29.71, 20.14)
181:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
181:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
181:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.050,  -0.510,   1.609)  ( -2.050,  -0.510,   1.609)  ( 0.00,  0.00,  0.00)
181: 32       ( -0.790,   1.265,   0.167)  ( -1.091,   1.654,   0.369)  (23.83, 30.79,  3.37)
181:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
181:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
181:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
181:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
181:     electro ( -8.183,   0.713,   6.132)  ( -8.183,   0.713,   6.132)  ( 0.00,  0.00,  0.00)
181: 33       ( -0.924,   0.360,  -0.139)  ( -0.923,   0.367,  -0.135)  ( 0.06,  0.24,  0.05)
181:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
181:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
181:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
181:     electro (-11.239,   1.825,  -2.594)  (-11.239,   1.825,  -2.594)  ( 0.00,  0.00,  0.00)
181: 34       (  0.039,   0.551,   0.057)  (  0.045,   0.552,   0.061)  ( 0.02,  0.04,  0.02)
181:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
181:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
181:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
182:     bond    ( 13.123,   9.974,  -3.258)  ( 13.130,   9.977,  -3.250)  ( 0.05,  0.02,  0.25)
182:     angle   (-14.649,   0.422,   3.858)  (-14.647,   0.423,   3.860)  ( 0.02,  0.06,  0.05)
182:     strbnd  (  6.144,   3.136,   1.986)  (  6.144,   3.135,   1.985)  ( 0.01,  0.02,  0.05)
182:     torsion (  0.114,  -1.966,  -1.386)  (  0.114,  -1.966,  -1.386)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.600,   0.982,   0.585)  ( -0.496,   0.813,   0.485)  ( 6.21, 16.58,  5.91)
182:     vdw     ( -6.672,   1.688,  -4.514)  ( -6.672,   1.688,  -4.514)  ( 0.00,  0.00,  0.00)
182:     electro (  2.643, -14.275,   2.893)  (  2.643, -14.275,   2.893)  ( 0.00,  0.00,  0.00)
182: 13       (  0.040,  -0.004,   0.029)  (  0.046,   0.002,   0.035)  ( 0.02,  0.00,  0.02)
182:     bond    ( -2.991,   1.047, -11.722)  ( -2.987,   1.051, -11.718)  ( 0.13,  0.39,  0.04)
182:     angle   ( -2.018,   2.285,   8.597)  ( -2.016,   2.287,   8.599)  ( 0.11,  0.09,  0.02)
182:     strbnd  (  2.619,  -2.990,   4.758)  (  2.618,  -2.991,   4.758)  ( 0.04,  0.03,  0.02)
182:     torsion ( -0.041,  -0.092,   0.175)  ( -0.041,  -0.092,   0.175)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 14.014,   8.530,   0.129)  ( 14.014,   8.530,   0.129)  ( 0.00,  0.00,  0.00)
182:     electro (-11.542,  -8.783,  -1.908)  (-11.542,  -8.783,  -1.908)  ( 0.00,  0.00,  0.00)
182: 14       (  0.024,  -0.010,   0.034)  (  0.029,  -0.005,   0.040)  ( 0.01,  0.00,  0.02)
182:     bond    ( -4.655,   3.822,  -2.177)  ( -4.651,   3.826,  -2.172)  ( 0.08,  0.10,  0.21)
182:     angle   ( -4.059,  -1.702,  -4.245)  ( -4.057,  -1.700,  -4.243)  ( 0.05,  0.12,  0.05)
182:     strbnd  (  2.089,   1.563,   0.776)  (  2.088,   1.562,   0.776)  ( 0.05,  0.07,  0.03)
182:     torsion (  0.938,   1.048,   1.864)  (  0.938,   1.048,   1.864)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  3.794,  -3.935,   2.717)  (  3.794,  -3.935,   2.717)  ( 0.00,  0.00,  0.00)
182:     electro (  1.918,  -0.806,   1.098)  (  1.918,  -0.806,   1.098)  ( 0.00,  0.00,  0.00)
182: 15       ( -0.042,  -0.017,   0.014)  ( -0.037,  -0.011,   0.020)  ( 0.02,  0.01,  0.01)
182:     bond    ( -6.167,  -3.752,   0.389)  ( -6.163,  -3.748,   0.393)  ( 0.07,  0.11,  0.18)
182:     angle   (  3.378,   1.344,  -4.652)  (  3.380,   1.345,  -4.650)  ( 0.06,  0.14,  0.04)
182:     strbnd  (  0.915,   0.369,  -0.380)  (  0.914,   0.369,  -0.380)  ( 0.08,  0.02,  0.02)
182:     torsion (  1.467,  -0.659,   4.905)  (  1.467,  -0.659,   4.905)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.366,   2.682,  -0.248)  (  0.366,   2.682,  -0.248)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 16       (  0.001,  -0.001,  -0.009)  ( -0.007,  -0.004,  -0.008)  ( 0.00,  0.00,  0.00)
182:     bond    ( -1.392,   1.999,   1.715)  ( -1.392,   2.000,   1.716)  ( 0.06,  0.08,  0.07)
182:     angle   ( -0.390,   1.079,  -1.575)  ( -0.390,   1.079,  -1.575)  ( 0.00,  0.02,  0.03)
182:     strbnd  (  0.199,  -0.272,  -0.384)  (  0.199,  -0.272,  -0.384)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.947,   0.545,   0.133)  (  0.948,   0.545,   0.133)  ( 0.02,  0.00,  0.00)
182:     oop     (  0.050,   0.029,   0.007)  (  0.041,   0.024,   0.006)  ( 0.04,  0.01,  0.00)
182:     vdw     (  1.566,  -2.362,   2.661)  (  1.566,  -2.362,   2.662)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.979,  -1.018,  -2.566)  ( -0.979,  -1.018,  -2.566)  ( 0.00,  0.00,  0.00)
182: 17       (  0.013,  -0.037,   0.011)  (  0.006,  -0.039,   0.010)  ( 0.01,  0.01,  0.00)
182:     bond    ( -1.079,   2.138,  -1.059)  ( -1.078,   2.140,  -1.059)  ( 0.06,  0.12,  0.06)
182:     angle   (  0.033,  -0.019,  -0.072)  (  0.033,  -0.019,  -0.072)  ( 0.00,  0.00,  0.00)
182:     strbnd  (  0.329,  -0.679,   0.351)  (  0.329,  -0.679,   0.351)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.254,   0.148,   0.041)  (  0.254,   0.148,   0.041)  ( 0.01,  0.00,  0.00)
182:     oop     (  0.051,   0.029,   0.008)  (  0.042,   0.025,   0.007)  ( 0.04,  0.01,  0.00)
180:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
180:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
180:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
180:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
180:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
180:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
180:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
180:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
180:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
180:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
180:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
180:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
180:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
180:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
180:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
180:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
180:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
180:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
180:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
180:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
180:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
180:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
180:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
180:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
180:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
180:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
180:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
180:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
180:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
180: ok 14 # gradients 
180: ok 15 # energy 
180: ----------------------------------------------------------------------------------------
180:                                                                                         
180:   VALIDATE GRADIENTS : vuwxug.xyz
180:                                                                                         
180:                                                                                         
180: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
180: ----------------------------------------------------------------------------------------
180:  1       (  0.017,  -0.032,  -0.004)  (  0.360,   0.161,  -0.046)  ( 0.59,  0.62,  0.02)
180:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
180:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
180:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
180:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
180:     oop     ( -2.201,  -1.235,   0.352)  ( -1.859,  -1.045,   0.309)  (15.54, 15.42,  1.50)
180:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
180:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
180:  2       (  0.013,  -0.006,  -0.016)  (  0.100,   0.046,   0.007)  ( 0.12,  0.03,  0.04)
180:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
180:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
180:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
180:     torsion (  5.151,   1.716,  -0.095)  (  5.151,   1.716,  -0.095)  ( 0.01,  0.00,  0.00)
180:     oop     ( -0.825,  -0.292,  -0.005)  ( -0.739,  -0.246,   0.007)  ( 7.08,  1.34,  0.01)
180:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
180:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
180:  3       ( -0.030,   0.042,  -0.002)  ( -1.051,  -0.373,   0.176)  ( 3.08,  1.73,  0.04)
180:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
180:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
180:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
180:     torsion (-13.562,  -4.422,   0.317)  (-13.562,  -4.422,   0.317)  ( 0.00,  0.00,  0.00)
180:     oop     (  7.262,   2.827,  -1.384)  (  6.240,   2.406,  -1.213)  (14.07, 14.88, 12.33)
180:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
180:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
180:  4       ( -0.008,   0.003,  -0.019)  (  0.107,   0.035,  -0.019)  ( 0.09,  0.01,  0.00)
180:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
180:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
180:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
180:     torsion ( -1.574,  -0.412,   0.108)  ( -1.574,  -0.412,   0.108)  ( 0.01,  0.00,  0.00)
180:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
180:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
180:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
180:  5       (  0.003,  -0.006,   0.005)  (  0.404,   0.128,  -0.118)  ( 0.12,  0.08,  0.06)
180:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
180:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
180:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
180:     torsion (  4.454,   0.421,  -0.829)  (  4.455,   0.421,  -0.829)  ( 0.00,  0.00,  0.00)
180:     oop     ( -3.071,  -0.983,   0.957)  ( -2.670,  -0.852,   0.830)  (13.05, 12.95, 12.12)
180:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
180:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
180:  6       ( -0.018,  -0.005,  -0.006)  ( -0.100,  -0.046,  -0.007)  ( 0.15,  0.02,  0.00)
180:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
180:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
180:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
180:     torsion ( -5.151,  -1.716,   0.095)  ( -5.151,  -1.716,   0.095)  ( 0.01,  0.00,  0.00)
180:     oop     (  0.822,   0.291,   0.005)  (  0.739,   0.246,  -0.007)  ( 6.84,  1.33,  0.01)
180:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
180:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
180:  7       (  0.027,  -0.054,  -0.013)  (  1.051,   0.373,  -0.176)  ( 2.79,  2.29,  0.21)
180:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
180:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
180:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
180:     torsion ( 13.561,   4.422,  -0.317)  ( 13.562,   4.422,  -0.317)  ( 0.00,  0.00,  0.00)
180:     oop     ( -7.262,  -2.827,   1.384)  ( -6.240,  -2.406,   1.213)  (14.07, 14.88, 12.33)
180:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
180:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
180:  8       (  0.007,  -0.006,   0.002)  ( -0.107,  -0.035,   0.019)  ( 0.08,  0.02,  0.00)
180:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
180:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
180:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
180:     torsion (  1.574,   0.412,  -0.108)  (  1.574,   0.412,  -0.108)  ( 0.01,  0.00,  0.00)
180:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
180:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
180:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
180:  9       ( -0.019,   0.027,   0.003)  ( -0.360,  -0.161,   0.046)  ( 0.63,  0.51,  0.01)
180:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
180:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
180:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
180:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
180:     oop     (  2.201,   1.235,  -0.352)  (  1.859,   1.045,  -0.309)  (15.54, 15.42,  1.50)
180:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
180:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
180: 10       ( -0.004,   0.002,  -0.012)  ( -0.404,  -0.128,   0.118)  ( 0.15,  0.03,  0.16)
180:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
180:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
180:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
180:     torsion ( -4.455,  -0.421,   0.829)  ( -4.455,  -0.421,   0.829)  ( 0.00,  0.00,  0.00)
180:     oop     (  3.071,   0.983,  -0.957)  (  2.670,   0.852,  -0.830)  (13.05, 12.95, 12.12)
180:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
180:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
180: ok 16 # gradients 
179/229 Test #180: test_ffmmff94_2 ..................   Passed   26.73 sec
test 183
        Start 183: test_ffmmff94_5

183: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "5"
183: Environment variables: 
183:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
183:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
183: Test timeout computed to be: 1500
179:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
179:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
179:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
179:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
179:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
179:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
179:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
179:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
179:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
179:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
179:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
179:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
183: # Testing MMFF94 Force Field...
182:     vdw     (  0.321,  -0.617,   0.307)  (  0.321,  -0.617,   0.307)  ( 0.00,  0.00,  0.00)
182:     electro (  0.104,  -1.037,   0.435)  (  0.104,  -1.037,   0.435)  ( 0.00,  0.00,  0.00)
182: 18       ( -0.002,  -0.001,   0.010)  ( -0.012,  -0.006,   0.011)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.172,   0.436,  -2.694)  (  0.172,   0.436,  -2.691)  ( 0.00,  0.00,  0.13)
182:     angle   (  0.012,   0.006,   0.002)  (  0.012,   0.006,   0.002)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -0.076,  -0.152,   0.941)  ( -0.076,  -0.152,   0.941)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.138,   0.082,   0.022)  (  0.138,   0.082,   0.022)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.066,   0.040,   0.011)  (  0.055,   0.033,   0.009)  ( 0.07,  0.03,  0.00)
182:     vdw     ( -0.039,  -0.117,   0.755)  ( -0.039,  -0.117,   0.755)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.275,  -0.295,   0.974)  ( -0.275,  -0.295,   0.974)  ( 0.00,  0.00,  0.00)
182: 19       ( -0.010,   0.002,   0.007)  ( -0.018,  -0.002,   0.007)  ( 0.01,  0.00,  0.00)
182:     bond    (  1.319,  -1.740,  -1.572)  (  1.320,  -1.739,  -1.570)  ( 0.07,  0.09,  0.08)
182:     angle   ( -0.010,   0.055,  -0.071)  ( -0.010,   0.056,  -0.070)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -0.440,   0.556,   0.528)  ( -0.440,   0.556,   0.528)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.286,   0.174,   0.048)  (  0.286,   0.174,   0.048)  ( 0.01,  0.00,  0.00)
182:     oop     (  0.057,   0.035,   0.009)  (  0.048,   0.029,   0.008)  ( 0.05,  0.02,  0.00)
182:     vdw     ( -0.364,   0.499,   0.452)  ( -0.364,   0.499,   0.452)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.858,   0.422,   0.612)  ( -0.858,   0.422,   0.612)  ( 0.00,  0.00,  0.00)
182: 20       ( -0.011,   0.019,  -0.003)  ( -0.022,   0.014,  -0.004)  ( 0.01,  0.01,  0.00)
182:     bond    (  1.065,  -1.923,   0.931)  (  1.066,  -1.921,   0.932)  ( 0.07,  0.13,  0.05)
182:     angle   (  0.816,  -0.719,  -2.417)  (  0.816,  -0.719,  -2.416)  ( 0.01,  0.00,  0.02)
182:     strbnd  ( -0.179,   0.321,  -0.263)  ( -0.179,   0.321,  -0.263)  ( 0.00,  0.00,  0.00)
182:     torsion (  1.157,   0.723,   0.167)  (  1.157,   0.723,   0.167)  ( 0.02,  0.01,  0.00)
182:     oop     (  0.072,   0.045,   0.011)  (  0.060,   0.037,   0.009)  ( 0.09,  0.03,  0.00)
182:     vdw     ( -1.141,   1.967,   4.393)  ( -1.141,   1.967,   4.393)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.800,  -0.394,  -2.826)  ( -1.800,  -0.394,  -2.826)  ( 0.00,  0.00,  0.00)
182: 21       ( -0.002,  -0.005,  -0.023)  ( -0.001,  -0.004,  -0.021)  ( 0.00,  0.00,  0.01)
182:     bond    (  1.444,  -1.170,  -2.502)  (  1.445,  -1.169,  -2.500)  ( 0.05,  0.04,  0.09)
182:     angle   ( -2.245,  -3.938,   0.544)  ( -2.244,  -3.937,   0.544)  ( 0.02,  0.01,  0.01)
182:     strbnd  ( -0.862,   0.401,  -0.476)  ( -0.862,   0.401,  -0.476)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.116,  -0.117,  -0.590)  ( -1.116,  -0.117,  -0.590)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.776,   4.819,   3.001)  (  2.776,   4.819,   3.001)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 22       ( -0.015,   0.012,  -0.030)  ( -0.014,   0.013,  -0.028)  ( 0.00,  0.00,  0.01)
182:     bond    (  0.154,  -0.044,   0.213)  (  0.155,  -0.044,   0.215)  ( 0.02,  0.00,  0.05)
182:     angle   ( -3.150,   0.346,   2.340)  ( -3.150,   0.346,   2.340)  ( 0.01,  0.02,  0.01)
182:     strbnd  ( -1.019,   0.402,  -1.027)  ( -1.019,   0.402,  -1.027)  ( 0.00,  0.00,  0.00)
182:     torsion (  1.025,  -0.593,  -0.859)  (  1.025,  -0.593,  -0.859)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.975,  -0.099,  -0.696)  (  2.975,  -0.099,  -0.696)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 23       ( -0.002,  -0.007,  -0.010)  ( -0.000,  -0.006,  -0.007)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.844,   0.674,   1.498)  ( -0.843,   0.674,   1.500)  ( 0.06,  0.03,  0.15)
182:     angle   (  0.780,   0.980,  -0.002)  (  0.780,   0.980,  -0.002)  ( 0.03,  0.05,  0.00)
182:     strbnd  ( -0.246,   0.126,  -0.182)  ( -0.246,   0.126,  -0.182)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.955,  -0.263,  -0.980)  ( -1.955,  -0.263,  -0.980)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.263,  -1.523,  -0.342)  (  2.263,  -1.523,  -0.342)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 24       (  0.008,  -0.004,  -0.001)  (  0.009,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.400,  -1.579,   0.234)  (  0.400,  -1.576,   0.235)  ( 0.01,  0.20,  0.00)
182:     angle   ( -0.974,   0.080,   2.199)  ( -0.974,   0.080,   2.199)  ( 0.05,  0.00,  0.02)
182:     strbnd  ( -0.565,   0.621,  -0.074)  ( -0.565,   0.621,  -0.074)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.236,  -0.429,  -2.483)  ( -0.236,  -0.429,  -2.483)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.383,   1.303,   0.122)  (  1.383,   1.303,   0.122)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 25       ( -0.003,   0.003,   0.000)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.527,   0.046,  -0.630)  ( -0.526,   0.046,  -0.628)  ( 0.07,  0.00,  0.13)
182:     angle   ( -0.726,  -0.901,   0.541)  ( -0.725,  -0.901,   0.541)  ( 0.02,  0.04,  0.01)
182:     strbnd  ( -0.277,  -0.238,   0.153)  ( -0.277,  -0.238,   0.153)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.187,  -0.339,  -0.181)  (  0.187,  -0.338,  -0.181)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.340,   1.434,   0.118)  (  1.340,   1.434,   0.118)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 26       (  0.006,  -0.002,  -0.020)  (  0.007,  -0.001,  -0.018)  ( 0.00,  0.00,  0.01)
182:     bond    ( -0.838,   0.546,   1.494)  ( -0.837,   0.547,   1.496)  ( 0.06,  0.02,  0.16)
182:     angle   ( -0.275,  -2.955,   0.926)  ( -0.274,  -2.954,   0.926)  ( 0.01,  0.02,  0.01)
182:     strbnd  ( -0.022,  -0.439,  -0.536)  ( -0.022,  -0.439,  -0.536)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.106,   1.318,  -1.100)  ( -1.106,   1.318,  -1.100)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.246,   1.528,  -0.804)  (  2.246,   1.528,  -0.804)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: ok 6 # gradients 
182: ok 7 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : fizgok.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
182:  1       (  0.075,   0.147,  -0.085)  (  0.082,   0.159,  -0.080)  ( 0.05,  0.19,  0.04)
182:     bond    ( -7.838,  -3.903,  -3.643)  ( -7.834,  -3.894,  -3.639)  ( 0.06,  0.21,  0.11)
182:     angle   (  7.377, -14.044,  12.273)  (  7.380, -14.042,  12.275)  ( 0.04,  0.02,  0.02)
182:     strbnd  (  0.657,   1.642,  -0.343)  (  0.656,   1.641,  -0.344)  ( 0.08,  0.06,  0.04)
182:     torsion ( -0.045,   0.673,  -0.372)  ( -0.045,   0.673,  -0.371)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.007,  -0.027,   0.009)  ( -0.007,  -0.024,   0.008)  ( 0.00,  0.01,  0.00)
182:     vdw     ( -0.525,  -6.965,   3.135)  ( -0.525,  -6.965,   3.135)  ( 0.00,  0.00,  0.00)
182:     electro (  0.455,  22.771, -11.143)  (  0.455,  22.771, -11.143)  ( 0.00,  0.00,  0.00)
182:  2       (  1.636,  -0.294,   0.523)  (  1.645,  -0.288,   0.526)  ( 0.60,  0.19,  0.15)
182:     bond    (-11.204,   8.407,  18.715)  (-11.196,   8.408,  18.718)  ( 0.07,  0.01,  0.02)
182:     angle   (  0.078,   5.582,   5.314)  (  0.080,   5.582,   5.316)  ( 0.01,  0.01,  0.04)
182:     strbnd  ( 14.683, -10.263, -21.918)  ( 14.682, -10.263, -21.919)  ( 0.01,  0.00,  0.00)
182:     torsion (  0.150,   0.067,  -0.035)  (  0.150,   0.067,  -0.035)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.011,  -0.041,   0.013)  ( -0.010,  -0.036,   0.012)  ( 0.00,  0.02,  0.00)
182:     vdw     ( -1.009,  -4.181,  -1.167)  ( -1.009,  -4.181,  -1.167)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.053,   0.135,  -0.399)  ( -1.053,   0.135,  -0.399)  ( 0.00,  0.00,  0.00)
182:  3       ( -1.196,  -0.099,  -1.352)  ( -1.194,  -0.124,  -1.338)  ( 0.11,  0.25,  1.02)
182:     bond    ( -4.431,   5.571,  14.123)  ( -4.424,   5.572,  14.127)  ( 0.17,  0.01,  0.03)
182:     angle   (  2.807,  -2.317,  -5.897)  (  2.808,  -2.317,  -5.895)  ( 0.05,  0.01,  0.04)
182:     strbnd  ( -0.396,  -3.222, -10.930)  ( -0.396,  -3.222, -10.931)  ( 0.03,  0.00,  0.01)
182:     torsion (  0.009,   0.024,  -0.016)  (  0.009,   0.024,  -0.016)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.040,   0.151,  -0.046)  (  0.033,   0.124,  -0.038)  ( 0.03,  0.41,  0.04)
182:     vdw     ( -1.180,  -0.564,  -1.315)  ( -1.180,  -0.564,  -1.315)  ( 0.00,  0.00,  0.00)
182:     electro (  1.956,   0.259,   2.729)  (  1.956,   0.259,   2.729)  ( 0.00,  0.00,  0.00)
182:  4       ( -0.453,   0.371,   0.817)  ( -0.453,   0.347,   0.833)  ( 0.03,  0.90,  1.31)
182:     bond    ( 11.836,  -5.927,  -8.661)  ( 11.841,  -5.926,  -8.655)  ( 0.04,  0.01,  0.08)
182:     angle   ( -4.489,   2.870,   4.414)  ( -4.487,   2.870,   4.415)  ( 0.05,  0.01,  0.03)
182:     strbnd  ( -9.187,   3.979,   4.504)  ( -9.187,   3.979,   4.504)  ( 0.01,  0.00,  0.01)
182:     torsion ( -0.003,   0.015,   0.000)  ( -0.003,   0.016,   0.000)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.040,   0.146,  -0.047)  (  0.033,   0.121,  -0.038)  ( 0.03,  0.38,  0.04)
182:     vdw     ( -1.795,  -0.128,  -0.448)  ( -1.795,  -0.128,  -0.448)  ( 0.00,  0.00,  0.00)
182:     electro (  3.145,  -0.584,   1.055)  (  3.145,  -0.584,   1.055)  ( 0.00,  0.00,  0.00)
182:  5       ( -0.041,   0.004,   0.038)  ( -0.035,   0.010,   0.045)  ( 0.02,  0.00,  0.03)
182:     bond    ( 13.675,  -9.287, -16.484)  ( 13.679,  -9.286, -16.477)  ( 0.03,  0.01,  0.04)
182:     angle   (  6.589,   0.956,  -3.854)  (  6.590,   0.957,  -3.852)  ( 0.03,  0.06,  0.04)
182:     strbnd  (-16.570,  11.056,  19.409)  (-16.571,  11.055,  19.409)  ( 0.01,  0.00,  0.00)
182:     torsion (  0.066,   0.138,   0.084)  (  0.066,   0.138,   0.084)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.010,  -0.039,   0.012)  ( -0.009,  -0.035,   0.011)  ( 0.00,  0.02,  0.00)
182:     vdw     ( -3.074,  -2.716,   1.743)  ( -3.074,  -2.716,   1.743)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.716,  -0.103,  -0.873)  ( -0.716,  -0.103,  -0.873)  ( 0.00,  0.00,  0.00)
182:  6       (  0.013,  -0.004,  -0.008)  (  0.016,   0.001,  -0.008)  ( 0.00,  0.00,  0.00)
182:     bond    ( 11.948,  -5.575,  -8.525)  ( 11.950,  -5.574,  -8.524)  ( 0.01,  0.01,  0.01)
182:     angle   ( -0.801,  -0.056,  -1.086)  ( -0.801,  -0.057,  -1.085)  ( 0.01,  0.00,  0.03)
182:     strbnd  (-17.035,   8.265,  13.244)  (-17.035,   8.265,  13.244)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.113,  -0.440,   0.129)  ( -0.113,  -0.440,   0.129)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.004,  -0.017,   0.005)  ( -0.003,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
182:     vdw     (  5.058,  -1.595,  -0.879)  (  5.058,  -1.595,  -0.879)  ( 0.00,  0.00,  0.00)
182:     electro (  0.961,  -0.585,  -2.896)  (  0.961,  -0.585,  -2.896)  ( 0.00,  0.00,  0.00)
182:  7       (  0.004,  -0.006,  -0.007)  (  0.009,   0.011,  -0.010)  ( 0.00,  0.01,  0.00)
182:     bond    ( -1.576,  -0.689,  -3.698)  ( -1.575,  -0.689,  -3.696)  ( 0.02,  0.00,  0.06)
182:     angle   ( -1.762,   0.781,   0.606)  ( -1.762,   0.781,   0.606)  ( 0.02,  0.00,  0.00)
182:     strbnd  (  3.973,   2.058,  10.392)  (  3.974,   2.058,  10.392)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.002,   0.010,  -0.003)  (  0.002,   0.010,  -0.003)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.021,  -0.079,   0.024)  ( -0.017,  -0.062,   0.019)  ( 0.01,  0.13,  0.01)
182:     vdw     ( -0.489,  -2.014,  -7.035)  ( -0.489,  -2.014,  -7.035)  ( 0.01,  0.00,  0.00)
182:     electro ( -0.123,  -0.073,  -0.293)  ( -0.123,  -0.073,  -0.293)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.014,   0.006,   0.005)  ( -0.006,   0.023,   0.000)  ( 0.01,  0.01,  0.00)
182:     bond    ( -3.952,   0.990,  -0.369)  ( -3.949,   0.990,  -0.369)  ( 0.06,  0.01,  0.00)
182:     angle   (  0.055,  -0.510,  -1.957)  (  0.055,  -0.510,  -1.957)  ( 0.00,  0.00,  0.02)
182:     strbnd  ( 10.930,  -2.876,   0.597)  ( 10.930,  -2.875,   0.597)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.004,   0.013,  -0.005)  (  0.004,   0.013,  -0.005)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.022,  -0.078,   0.025)  ( -0.017,  -0.061,   0.019)  ( 0.01,  0.13,  0.01)
182:     vdw     ( -6.710,   2.400,   1.731)  ( -6.710,   2.400,   1.731)  ( 0.00,  0.00,  0.01)
182:     electro ( -0.319,   0.065,  -0.017)  ( -0.319,   0.065,  -0.017)  ( 0.00,  0.00,  0.00)
182:  9       (  0.001,  -0.005,  -0.013)  (  0.003,   0.000,  -0.012)  ( 0.00,  0.00,  0.00)
182:     bond    ( -4.048,   5.770,  13.996)  ( -4.048,   5.770,  13.999)  ( 0.00,  0.01,  0.02)
182:     angle   ( -1.241,   0.257,  -0.465)  ( -1.241,   0.257,  -0.465)  ( 0.03,  0.00,  0.00)
182:     strbnd  (  6.786,  -8.639, -20.325)  (  6.786,  -8.639, -20.325)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.124,  -0.435,   0.144)  ( -0.124,  -0.435,   0.144)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.005,  -0.018,   0.006)  ( -0.004,  -0.013,   0.004)  ( 0.00,  0.01,  0.00)
182:     vdw     (  0.799,   1.425,   5.120)  (  0.799,   1.425,   5.120)  ( 0.01,  0.00,  0.00)
182:     electro ( -2.167,   1.634,   1.511)  ( -2.167,   1.634,   1.511)  ( 0.00,  0.00,  0.00)
182: 10       ( -0.041,  -0.122,   0.031)  ( -0.038,  -0.116,   0.034)  ( 0.01,  0.07,  0.01)
182:     bond    ( -3.216, -14.697,   5.117)  ( -3.214, -14.692,   5.118)  ( 0.06,  0.04,  0.02)
182:     angle   ( -7.773,   6.823,  -8.945)  ( -7.771,   6.824,  -8.944)  ( 0.02,  0.01,  0.01)
182:     strbnd  (  6.282,   1.107,   3.899)  (  6.282,   1.107,   3.898)  ( 0.01,  0.00,  0.01)
182:     torsion (  0.055,  -0.068,   0.073)  (  0.055,  -0.068,   0.073)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.002,  -0.001,  -0.002)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.079,   0.861,   1.042)  (  2.079,   0.861,   1.042)  ( 0.00,  0.00,  0.00)
182:     electro (  2.530,   5.853,  -1.152)  (  2.530,   5.853,  -1.152)  ( 0.00,  0.00,  0.00)
182: 11       ( -0.148,   0.096,  -0.138)  ( -0.138,   0.102,  -0.133)  ( 0.15,  0.06,  0.07)
182:     bond    ( -2.324,  11.771,  -7.579)  ( -2.317,  11.777,  -7.575)  ( 0.31,  0.05,  0.07)
182:     angle   ( -3.241,  -6.144,   0.794)  ( -3.239,  -6.142,   0.795)  ( 0.06,  0.04,  0.10)
182:     strbnd  (  3.432,   4.890,  -0.026)  (  3.432,   4.889,  -0.026)  ( 0.02,  0.02,  0.00)
182:     torsion ( -0.002,   0.001,   0.002)  ( -0.002,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.006,   0.004,   0.007)  ( -0.005,   0.003,   0.007)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.330,  -2.187,   2.045)  (  1.330,  -2.187,   2.045)  ( 0.00,  0.01,  0.00)
182:     electro (  0.662,  -8.239,   4.619)  (  0.662,  -8.239,   4.619)  ( 0.00,  0.00,  0.00)
182: 12       (  0.104,  -0.045,   0.088)  (  0.109,  -0.043,   0.092)  ( 0.05,  0.01,  0.04)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
179:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
179:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
179:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
179:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
179:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
179:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
179:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
179:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
179:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
179:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
179:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
179:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
179:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
179:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
179:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
183: ok 1 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : 
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
182:     bond    (  2.062,  -0.697,   1.813)  (  2.066,  -0.696,   1.817)  ( 0.24,  0.04,  0.21)
182:     angle   (  4.094,   8.524,  -1.388)  (  4.094,   8.525,  -1.388)  ( 0.00,  0.01,  0.00)
182:     strbnd  ( -2.194,   1.376,  -2.250)  ( -2.194,   1.376,  -2.250)  ( 0.00,  0.01,  0.00)
182:     torsion (  0.001,  -0.001,  -0.001)  (  0.001,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.002,  -0.002,  -0.003)  (  0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.811,   4.186,  -5.523)  ( -4.811,   4.186,  -5.523)  ( 0.00,  0.01,  0.00)
182:     electro (  0.951, -13.432,   7.439)  (  0.951, -13.432,   7.439)  ( 0.00,  0.00,  0.00)
182: 13       (  0.019,  -0.062,   0.035)  (  0.022,  -0.057,   0.038)  ( 0.01,  0.03,  0.01)
182:     bond    ( -0.415,   6.996,  -3.819)  ( -0.413,   7.000,  -3.818)  ( 0.10,  0.06,  0.03)
182:     angle   (  8.099,   0.357,   5.569)  (  8.100,   0.358,   5.570)  ( 0.01,  0.02,  0.02)
182:     strbnd  ( -1.445,  -0.164,  -0.943)  ( -1.445,  -0.164,  -0.943)  ( 0.01,  0.00,  0.00)
182:     torsion (  0.096,   0.027,   0.051)  (  0.096,   0.027,   0.051)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.002,  -0.001,  -0.003)  (  0.001,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -1.982,  -2.198,  -0.300)  ( -1.982,  -2.198,  -0.300)  ( 0.00,  0.00,  0.00)
182:     electro ( -4.335,  -5.079,  -0.519)  ( -4.335,  -5.079,  -0.519)  ( 0.00,  0.00,  0.00)
182: 14       (  0.006,   0.040,  -0.035)  (  0.012,   0.045,  -0.029)  ( 0.00,  0.02,  0.02)
182:     bond    (  2.536,  -3.983,   3.794)  (  2.540,  -3.979,   3.799)  ( 0.17,  0.11,  0.12)
182:     angle   ( -4.065,   3.789,  -4.804)  ( -4.063,   3.791,  -4.803)  ( 0.05,  0.05,  0.04)
182:     strbnd  ( -0.833,   0.598,  -0.890)  ( -0.834,   0.596,  -0.891)  ( 0.05,  0.09,  0.05)
182:     torsion ( -0.191,  -0.892,   0.315)  ( -0.191,  -0.892,   0.315)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  6.216,   6.029,   1.376)  (  6.216,   6.029,   1.376)  ( 0.00,  0.00,  0.00)
182:     electro ( -3.657,  -5.500,   0.174)  ( -3.657,  -5.500,   0.174)  ( 0.00,  0.00,  0.00)
182: 15       ( -0.047,  -0.022,   0.038)  ( -0.042,  -0.016,   0.044)  ( 0.03,  0.01,  0.02)
182:     bond    ( -2.867,  -2.743,  -0.596)  ( -2.863,  -2.738,  -0.591)  ( 0.15,  0.16,  0.26)
182:     angle   (  3.517,  -2.080,   3.550)  (  3.519,  -2.078,   3.552)  ( 0.05,  0.09,  0.05)
182:     strbnd  (  0.684,   0.667,   0.147)  (  0.683,   0.666,   0.146)  ( 0.06,  0.04,  0.01)
182:     torsion ( -1.441,   4.053,  -3.064)  ( -1.441,   4.053,  -3.064)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.060,   0.081,   0.002)  (  0.060,   0.081,   0.002)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 16       ( -0.011,  -0.078,   0.040)  ( -0.010,  -0.073,   0.042)  ( 0.00,  0.05,  0.01)
182:     bond    ( -0.642,   8.502,  -4.741)  ( -0.642,   8.508,  -4.739)  ( 0.00,  0.07,  0.04)
182:     angle   ( -2.615,  -0.955,  -1.361)  ( -2.614,  -0.955,  -1.360)  ( 0.03,  0.02,  0.04)
182:     strbnd  (  0.050,  -9.018,   4.574)  (  0.050,  -9.018,   4.574)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.486,  -1.486,   1.804)  (  1.486,  -1.486,   1.804)  ( 0.00,  0.00,  0.00)
182:     electro (  1.710,   2.879,  -0.236)  (  1.710,   2.879,  -0.236)  ( 0.00,  0.00,  0.00)
182: 17       ( -0.005,   0.002,  -0.011)  ( -0.004,   0.003,  -0.007)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.079,   0.242,   1.908)  ( -0.079,   0.242,   1.911)  ( 0.00,  0.00,  0.17)
182:     angle   ( -1.927,  -2.302,   0.212)  ( -1.927,  -2.301,   0.212)  ( 0.03,  0.03,  0.00)
182:     strbnd  (  0.174,  -0.470,   0.195)  (  0.174,  -0.470,   0.195)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.269,  -0.028,   0.015)  (  0.269,  -0.028,   0.015)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
181:     electro (-13.976,  -4.035,   5.969)  (-13.976,  -4.035,   5.969)  ( 0.00,  0.00,  0.00)
181: 35       (  0.215,  -0.454,  -0.523)  (  0.219,  -0.455,  -0.518)  ( 0.09,  0.03,  0.24)
181:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
181:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
181:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.529,   0.151,   0.248)  ( -0.529,   0.151,   0.248)  ( 0.00,  0.00,  0.00)
181: 36       (  0.007,  -0.633,   0.684)  (  0.009,  -0.633,   0.694)  ( 0.00,  0.02,  0.66)
181:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
181:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
181:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
181:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
181:     electro (  0.342,   0.528,   0.467)  (  0.342,   0.528,   0.467)  ( 0.00,  0.00,  0.00)
181: 37       (  0.096,  -0.359,   0.906)  (  0.097,  -0.351,   0.890)  ( 0.00,  0.30,  1.47)
181:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
181:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
181:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
181:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
181:     electro (  2.074,  -1.079,   1.460)  (  2.074,  -1.079,   1.460)  ( 0.00,  0.00,  0.00)
181: 38       (  0.416,   0.331,  -1.341)  (  0.421,   0.315,  -1.283)  ( 0.22,  0.54,  4.33)
181:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
181:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
181:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
181:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.374,   0.569,   0.403)  ( -0.374,   0.569,   0.403)  ( 0.00,  0.00,  0.00)
181: 39       (  0.380,   0.037,  -1.541)  (  0.383,   0.036,  -1.529)  ( 0.11,  0.00,  0.79)
181:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
181:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
181:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
181:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.264,  -0.330,   0.035)  ( -0.264,  -0.330,   0.035)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.559,   2.559,  -2.340)  (  1.559,   2.559,  -2.340)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 18       ( -0.013,   0.008,  -0.002)  ( -0.010,   0.010,  -0.001)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.600,  -0.952,  -0.465)  (  1.603,  -0.952,  -0.465)  ( 0.15,  0.08,  0.01)
182:     angle   ( -1.585,  -2.541,  -0.266)  ( -1.585,  -2.540,  -0.265)  ( 0.01,  0.02,  0.01)
182:     strbnd  (  0.041,  -0.375,   0.383)  (  0.041,  -0.375,   0.383)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.115,   0.081,   0.231)  (  0.115,   0.081,   0.231)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.184,   3.795,   0.115)  ( -0.184,   3.795,   0.115)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 19       ( -0.003,   0.007,  -0.003)  ( -0.003,   0.010,  -0.002)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.011,  -0.341,   0.161)  ( -0.011,  -0.338,   0.162)  ( 0.00,  0.09,  0.01)
182:     angle   ( -0.425,  -0.104,  -0.247)  ( -0.425,  -0.104,  -0.246)  ( 0.02,  0.00,  0.01)
182:     strbnd  ( -0.183,  -0.109,  -0.074)  ( -0.183,  -0.109,  -0.074)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.000,   0.000,   0.000)  ( -0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.617,   0.560,   0.156)  (  0.617,   0.560,   0.156)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 20       (  0.031,  -0.017,  -0.014)  (  0.033,  -0.015,  -0.014)  ( 0.01,  0.00,  0.00)
182:     bond    ( -1.142,   0.665,   0.296)  ( -1.140,   0.665,   0.296)  ( 0.21,  0.05,  0.00)
182:     angle   ( -0.598,   0.006,  -2.313)  ( -0.598,   0.007,  -2.313)  ( 0.01,  0.00,  0.02)
182:     strbnd  (  0.341,  -0.436,  -0.190)  (  0.341,  -0.436,  -0.190)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.100,  -1.141,   2.178)  ( -0.100,  -1.141,   2.178)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.529,   0.890,   0.014)  (  1.529,   0.890,   0.014)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 21       (  0.003,   0.010,  -0.024)  (  0.003,   0.010,  -0.020)  ( 0.00,  0.00,  0.01)
182:     bond    (  0.025,  -0.167,  -1.404)  (  0.025,  -0.167,  -1.400)  ( 0.00,  0.00,  0.24)
182:     angle   ( -2.115,   1.092,  -0.168)  ( -2.114,   1.093,  -0.168)  ( 0.03,  0.04,  0.00)
182:     strbnd  ( -0.186,  -0.062,   0.552)  ( -0.186,  -0.062,   0.552)  ( 0.00,  0.00,  0.00)
182:     torsion (  1.253,  -2.101,   0.273)  (  1.253,  -2.101,   0.273)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.026,   1.247,   0.724)  (  1.026,   1.247,   0.724)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: ok 8 # gradients 
182: ok 9 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : semdix.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
182:  1       ( -0.039,  -0.073,   0.047)  ( -0.036,  -0.064,   0.051)  ( 0.01,  0.06,  0.02)
182:     bond    ( -7.512,   1.783,  -2.223)  ( -7.509,   1.791,  -2.220)  ( 0.04,  0.44,  0.14)
182:     angle   (  9.520,   8.593,   6.171)  (  9.521,   8.594,   6.173)  ( 0.01,  0.01,  0.03)
182:     strbnd  (-12.566,   3.932,  -2.829)  (-12.567,   3.932,  -2.830)  ( 0.00,  0.01,  0.02)
182:     torsion (  0.272,   0.999,  -0.774)  (  0.272,   0.999,  -0.774)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  8.163, -13.337,  -0.869)  (  8.163, -13.337,  -0.869)  ( 0.00,  0.00,  0.00)
182:     electro (  2.084,  -2.043,   0.571)  (  2.084,  -2.043,   0.571)  ( 0.00,  0.00,  0.00)
182:  2       ( -0.001,  -0.011,   0.004)  (  0.000,  -0.009,   0.007)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.455,   0.358,  -0.667)  (  0.457,   0.359,  -0.665)  ( 0.05,  0.03,  0.16)
182:     angle   (  4.611,  -3.755,   1.139)  (  4.612,  -3.754,   1.139)  ( 0.01,  0.02,  0.02)
182:     strbnd  ( -0.238,   1.721,   0.675)  ( -0.238,   1.720,   0.675)  ( 0.00,  0.00,  0.01)
182:     torsion (  0.420,  -0.286,   0.134)  (  0.420,  -0.286,   0.134)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  3.879,  -9.651,   0.860)  (  3.879,  -9.651,   0.860)  ( 0.00,  0.00,  0.00)
182:     electro ( -9.129,  11.602,  -2.137)  ( -9.129,  11.602,  -2.137)  ( 0.00,  0.00,  0.00)
182:  3       (  0.003,  -0.013,   0.006)  (  0.004,  -0.007,   0.006)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.045,  -0.386,  -0.051)  (  0.045,  -0.380,  -0.051)  ( 0.00,  0.23,  0.00)
182:     angle   ( -3.619,  -0.541,   0.864)  ( -3.619,  -0.541,   0.864)  ( 0.02,  0.00,  0.03)
182:     strbnd  ( -0.660,   0.252,  -0.120)  ( -0.660,   0.252,  -0.120)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.212,  -0.151,   0.948)  ( -0.212,  -0.151,   0.948)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.344,  -0.504,   0.445)  (  1.344,  -0.504,   0.445)  ( 0.00,  0.00,  0.00)
182:     electro (  3.105,   1.317,  -2.081)  (  3.105,   1.317,  -2.081)  ( 0.00,  0.00,  0.00)
182:  4       (  0.044,   0.056,  -0.067)  (  0.045,   0.058,  -0.063)  ( 0.01,  0.01,  0.02)
182:     bond    ( -0.400,  -0.524,   0.650)  ( -0.398,  -0.522,   0.653)  ( 0.04,  0.10,  0.20)
182:     angle   ( -5.854,   2.869,  -1.277)  ( -5.853,   2.870,  -1.277)  ( 0.01,  0.01,  0.01)
182:     strbnd  ( -1.135,  -0.538,   0.610)  ( -1.135,  -0.538,   0.610)  ( 0.01,  0.01,  0.01)
182:     torsion (  0.032,  -0.698,  -0.538)  (  0.032,  -0.698,  -0.538)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 10.552,  -8.215,   3.363)  ( 10.552,  -8.215,   3.363)  ( 0.00,  0.00,  0.00)
182:     electro ( -3.151,   7.161,  -2.875)  ( -3.151,   7.161,  -2.875)  ( 0.00,  0.00,  0.00)
182:  5       ( -0.016,  -0.032,  -0.036)  ( -0.011,  -0.028,  -0.031)  ( 0.01,  0.02,  0.02)
182:     bond    (  8.665,  -5.869,  -2.407)  (  8.668,  -5.866,  -2.405)  ( 0.03,  0.04,  0.11)
182:     angle   ( 14.891, -11.135,  -0.108)  ( 14.893, -11.133,  -0.105)  ( 0.02,  0.02,  0.03)
182:     strbnd  ( -4.622,   7.292,  -0.077)  ( -4.623,   7.291,  -0.078)  ( 0.02,  0.01,  0.01)
182:     torsion (  0.115,  -0.478,   0.649)  (  0.115,  -0.478,   0.649)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.615,  -0.366,   0.687)  (  0.615,  -0.366,   0.687)  ( 0.00,  0.00,  0.00)
182:     electro (-19.678,  10.524,   1.221)  (-19.678,  10.524,   1.221)  ( 0.00,  0.00,  0.00)
182:  6       ( -0.030,   0.012,   0.002)  ( -0.026,   0.016,   0.008)  ( 0.01,  0.01,  0.00)
182:     bond    ( -5.107,  28.856,  -3.817)  ( -5.104,  28.859,  -3.812)  ( 0.06,  0.01,  0.13)
182:     angle   (-16.294, -14.070,  -0.576)  (-16.291, -14.068,  -0.574)  ( 0.02,  0.02,  0.12)
182:     strbnd  ( 14.404,  -7.085,   3.027)  ( 14.402,  -7.086,   3.026)  ( 0.01,  0.01,  0.02)
183:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
183:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
183:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
183:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
183:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
183:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
183:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
183:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
183:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
183:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
183:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
183:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
183:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
183:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
183:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
183:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
183:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
183:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
183:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
183:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
183:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
183:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
183:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
183:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
183:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
183:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
183:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
183:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
183:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
183:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
183:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
183:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
183:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
183:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
183:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
183:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
183:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
179:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
179:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
179:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
179:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
179:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
179:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
179: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
179:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
179:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
179:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
179: ok 14 # gradients 
179: ok 15 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
179:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
179:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
179:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
179:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
179:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
179:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
179:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
179:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
179:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
179:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
179:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
179:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
179:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
179:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
179:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
179:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
179:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
179:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
179:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
179:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
179:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
179:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
179:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
179:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
179:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
179:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
179:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
179:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
179:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
179:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
179:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
179:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
179:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
179:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
179:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
179:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
182:     torsion (  0.382,  -0.345,   0.073)  (  0.382,  -0.345,   0.073)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  6.585,  -7.344,   1.295)  (  6.585,  -7.344,   1.295)  ( 0.00,  0.00,  0.01)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:  7       ( -0.008,   0.056,   0.024)  ( -0.002,   0.062,   0.028)  ( 0.00,  0.03,  0.01)
182:     bond    (-17.495,  -2.527,  22.456)  (-17.491,  -2.523,  22.459)  ( 0.02,  0.17,  0.01)
182:     angle   (  6.906,   4.793, -20.315)  (  6.908,   4.795, -20.313)  ( 0.03,  0.05,  0.01)
182:     strbnd  ( -0.312,   0.860,  -1.629)  ( -0.313,   0.860,  -1.630)  ( 0.02,  0.06,  0.07)
182:     torsion (  0.078,   0.540,   0.603)  (  0.078,   0.540,   0.603)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.365,   6.410,  -7.993)  (  0.365,   6.411,  -7.993)  ( 0.01,  0.00,  0.00)
182:     electro ( 10.449, -10.021,   6.902)  ( 10.449, -10.021,   6.902)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.016,   0.021,   0.017)  ( -0.011,   0.026,   0.023)  ( 0.01,  0.01,  0.01)
182:     bond    (  5.818,  -7.958,   2.136)  (  5.822,  -7.954,   2.140)  ( 0.08,  0.05,  0.20)
182:     angle   ( -9.508,   5.167,   2.401)  ( -9.507,   5.169,   2.402)  ( 0.02,  0.04,  0.07)
182:     strbnd  ( -1.075,  -2.063,   3.999)  ( -1.075,  -2.064,   3.999)  ( 0.05,  0.04,  0.01)
182:     torsion (  1.216,   0.373,  -0.759)  (  1.216,   0.373,  -0.759)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  3.533,   4.502,  -7.760)  (  3.533,   4.502,  -7.760)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:  9       ( -0.034,   0.039,   0.014)  ( -0.028,   0.044,   0.018)  ( 0.02,  0.02,  0.01)
182:     bond    (-10.691, -17.476, -11.199)  (-10.687, -17.472, -11.195)  ( 0.04,  0.02,  0.03)
182:     angle   (  6.844,  25.523,   4.420)  (  6.847,  25.525,   4.423)  ( 0.03,  0.01,  0.05)
182:     strbnd  ( -0.703,  -2.771,   2.914)  ( -0.704,  -2.772,   2.913)  ( 0.03,  0.03,  0.04)
182:     torsion ( -1.271,   0.298,  -0.007)  ( -1.271,   0.298,  -0.007)  ( 0.01,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.611,   6.133,   7.845)  ( -0.611,   6.133,   7.845)  ( 0.01,  0.00,  0.00)
182:     electro (  6.398, -11.668,  -3.961)  (  6.398, -11.668,  -3.961)  ( 0.00,  0.00,  0.00)
182: 10       ( -0.043,   0.023,  -0.058)  ( -0.037,   0.029,  -0.053)  ( 0.03,  0.01,  0.03)
182:     bond    (  2.273,   4.210,  -7.157)  (  2.278,   4.215,  -7.153)  ( 0.20,  0.11,  0.06)
182:     angle   ( -4.782,  -9.381,   5.110)  ( -4.780,  -9.380,   5.112)  ( 0.04,  0.02,  0.04)
182:     strbnd  ( -0.590,  -1.767,  -5.703)  ( -0.590,  -1.768,  -5.704)  ( 0.03,  0.02,  0.02)
182:     torsion (  0.624,   0.972,   0.410)  (  0.624,   0.972,   0.410)  ( 0.00,  0.01,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.432,   5.989,   7.283)  (  2.432,   5.989,   7.283)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 11       (  0.006,  -0.014,   0.008)  (  0.010,  -0.008,   0.014)  ( 0.00,  0.01,  0.00)
182:     bond    ( 18.679,  -2.807,  -6.521)  ( 18.682,  -2.803,  -6.517)  ( 0.02,  0.16,  0.07)
182:     angle   (-21.205,  14.183,   9.289)  (-21.203,  14.185,   9.291)  ( 0.01,  0.01,  0.02)
182:     strbnd  (  1.878,  -2.321,  -3.338)  (  1.877,  -2.322,  -3.338)  ( 0.08,  0.02,  0.02)
182:     torsion (  0.229,  -0.649,  -0.324)  (  0.229,  -0.649,  -0.324)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -9.496,  -1.546,  -1.456)  ( -9.496,  -1.546,  -1.456)  ( 0.00,  0.01,  0.01)
182:     electro (  9.922,  -6.874,   2.359)  (  9.922,  -6.874,   2.359)  ( 0.00,  0.00,  0.00)
182: 12       ( -0.001,   0.032,   0.005)  (  0.005,   0.038,   0.010)  ( 0.00,  0.02,  0.00)
182:     bond    (  1.992,   4.956,   6.984)  (  1.996,   4.961,   6.989)  ( 0.21,  0.09,  0.06)
182:     angle   (  3.962,  -6.006,  -8.362)  (  3.964,  -6.004,  -8.360)  ( 0.04,  0.03,  0.02)
182:     strbnd  (  4.498,   2.135,   1.871)  (  4.497,   2.135,   1.870)  ( 0.01,  0.03,  0.04)
182:     torsion ( -1.062,   0.377,   0.291)  ( -1.062,   0.377,   0.291)  ( 0.01,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -9.391,  -1.430,  -0.779)  ( -9.391,  -1.430,  -0.779)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 13       (  0.009,   0.002,   0.000)  (  0.010,   0.004,   0.003)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.237,   0.694,   1.067)  (  0.237,   0.695,   1.069)  ( 0.00,  0.07,  0.22)
182:     angle   ( -2.166,   2.271,  -0.996)  ( -2.166,   2.271,  -0.996)  ( 0.03,  0.02,  0.02)
182:     strbnd  ( -0.528,   2.326,  -1.506)  ( -0.528,   2.326,  -1.506)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.333,   0.625,  -0.333)  ( -0.333,   0.625,  -0.333)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.799,  -5.914,   1.768)  (  2.799,  -5.914,   1.768)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 14       (  0.001,  -0.041,  -0.025)  (  0.002,  -0.038,  -0.023)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.121,   0.978,   0.855)  (  0.121,   0.980,   0.856)  ( 0.00,  0.19,  0.12)
182:     angle   ( -0.835,  -2.814,   3.339)  ( -0.835,  -2.814,   3.339)  ( 0.04,  0.01,  0.01)
182:     strbnd  ( -1.501,  -1.444,   1.827)  ( -1.501,  -1.444,   1.827)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.525,   0.316,  -0.288)  ( -0.525,   0.316,  -0.288)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.741,   2.922,  -5.758)  (  2.741,   2.922,  -5.758)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 15       ( -0.009,  -0.007,  -0.008)  ( -0.006,  -0.006,  -0.008)  ( 0.00,  0.00,  0.00)
182:     bond    (  2.025,   0.488,   0.203)  (  2.028,   0.489,   0.203)  ( 0.16,  0.01,  0.00)
182:     angle   (  0.918,  -6.276,   5.935)  (  0.918,  -6.276,   5.935)  ( 0.00,  0.01,  0.01)
182:     strbnd  (  0.315,  -0.157,   2.848)  (  0.315,  -0.157,   2.848)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.156,  -0.632,  -0.038)  (  0.156,  -0.632,  -0.038)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -3.424,   6.571,  -8.956)  ( -3.423,   6.571,  -8.956)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 16       (  0.004,  -0.019,  -0.010)  (  0.005,  -0.017,  -0.009)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.003,  -0.033,  -0.027)  ( -0.003,  -0.031,  -0.026)  ( 0.00,  0.01,  0.00)
182:     angle   (  0.672,  -2.508,   2.974)  (  0.672,  -2.507,   2.974)  ( 0.03,  0.01,  0.01)
182:     strbnd  (  0.326,  -0.072,   0.486)  (  0.326,  -0.072,   0.486)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.349,  -0.122,   0.183)  ( -0.349,  -0.122,   0.183)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.641,   2.715,  -3.627)  ( -0.641,   2.716,  -3.627)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 17       ( -0.002,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.007)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.770,  -0.513,   1.530)  ( -0.769,  -0.513,   1.533)  ( 0.05,  0.01,  0.16)
182:     angle   (  0.484,  -0.101,   0.210)  (  0.485,  -0.100,   0.210)  ( 0.02,  0.00,  0.00)
182:     strbnd  (  0.903,  -0.019,  -1.089)  (  0.903,  -0.019,  -1.089)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.167,  -0.152,  -0.135)  ( -0.167,  -0.152,  -0.135)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
183:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
183:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
183:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
183:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
183:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
183:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
183:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
183:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
183:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
183:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
183:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
183:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
183:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
183:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
183:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
183:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
183:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
183:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
183:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
183:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
183: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
183:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
183:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
183:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
183:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
183:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
183: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
183:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
183:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
183:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
183:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
183:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
183:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
183: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
182:     vdw     ( -0.453,   0.779,  -0.526)  ( -0.453,   0.779,  -0.526)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 18       (  0.009,  -0.007,  -0.006)  (  0.013,  -0.006,  -0.005)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.186,  -0.031,  -0.038)  ( -0.183,  -0.031,  -0.038)  ( 0.06,  0.00,  0.00)
182:     angle   ( -0.001,  -3.690,   3.012)  ( -0.001,  -3.689,   3.012)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -0.238,  -0.555,   0.057)  ( -0.238,  -0.555,   0.057)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.181,   0.195,   0.704)  ( -0.181,   0.195,   0.704)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.615,   4.074,  -3.740)  (  0.615,   4.074,  -3.740)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 19       (  0.019,  -0.041,   0.008)  (  0.020,  -0.038,   0.009)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.677,  -1.445,   0.292)  (  0.678,  -1.442,   0.292)  ( 0.04,  0.19,  0.00)
182:     angle   ( -1.005,  -1.216,  -3.671)  ( -1.005,  -1.216,  -3.670)  ( 0.04,  0.01,  0.02)
182:     strbnd  ( -1.742,  -0.148,  -1.789)  ( -1.742,  -0.148,  -1.789)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.210,   0.090,  -0.042)  (  0.210,   0.090,  -0.042)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.877,   2.677,   5.218)  (  1.877,   2.677,   5.218)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 20       ( -0.005,  -0.001,   0.002)  ( -0.002,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.952,  -0.106,   0.112)  ( -0.948,  -0.106,   0.112)  ( 0.32,  0.00,  0.00)
182:     angle   (  0.138,  -5.030,  -3.586)  (  0.138,  -5.030,  -3.585)  ( 0.00,  0.01,  0.02)
182:     strbnd  (  0.526,  -1.605,  -1.670)  (  0.526,  -1.605,  -1.670)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.072,  -0.421,   0.214)  (  0.072,  -0.421,   0.214)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.210,   7.161,   4.932)  (  0.210,   7.161,   4.932)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 21       (  0.018,  -0.034,   0.016)  (  0.019,  -0.031,   0.017)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.310,  -0.673,   0.202)  (  0.310,  -0.671,   0.202)  ( 0.02,  0.18,  0.00)
182:     angle   (  0.167,  -1.396,  -4.895)  (  0.167,  -1.396,  -4.895)  ( 0.01,  0.01,  0.01)
182:     strbnd  (  0.282,  -0.193,  -0.326)  (  0.282,  -0.193,  -0.326)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.415,  -0.240,  -0.161)  ( -0.415,  -0.240,  -0.161)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.326,   2.469,   5.196)  ( -0.326,   2.469,   5.196)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 22       (  0.021,   0.013,   0.021)  (  0.022,   0.015,   0.022)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.705,  -1.304,  -1.176)  ( -0.704,  -1.303,  -1.174)  ( 0.03,  0.12,  0.11)
182:     angle   (  0.266,   0.180,  -0.359)  (  0.266,   0.180,  -0.359)  ( 0.01,  0.00,  0.01)
182:     strbnd  (  0.688,   1.241,   0.578)  (  0.688,   1.241,   0.578)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.120,   0.072,  -0.007)  ( -0.120,   0.072,  -0.007)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.109,  -0.174,   0.986)  ( -0.109,  -0.174,   0.986)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 23       ( -0.000,  -0.006,  -0.006)  (  0.003,  -0.006,  -0.006)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.046,  -0.002,   0.007)  ( -0.043,  -0.002,   0.007)  ( 0.02,  0.00,  0.00)
182:     angle   ( -0.685,  -1.089,  -4.223)  ( -0.685,  -1.089,  -4.222)  ( 0.00,  0.04,  0.01)
182:     strbnd  ( -0.401,   0.150,  -0.337)  ( -0.401,   0.150,  -0.337)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.006,  -0.562,  -0.156)  ( -0.006,  -0.562,  -0.156)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.137,   1.497,   4.703)  (  1.137,   1.497,   4.703)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 24       (  0.001,   0.001,  -0.010)  (  0.002,   0.002,  -0.007)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.241,   0.312,  -0.823)  (  0.241,   0.312,  -0.820)  ( 0.01,  0.01,  0.23)
182:     angle   (  6.530,  -0.021,   1.914)  (  6.530,  -0.020,   1.914)  ( 0.01,  0.00,  0.01)
182:     strbnd  (  1.607,  -0.705,   1.140)  (  1.607,  -0.705,   1.140)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.241,   0.199,   0.005)  ( -0.241,   0.199,   0.005)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -8.135,   0.216,  -2.247)  ( -8.135,   0.216,  -2.246)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 25       (  0.001,  -0.003,  -0.006)  (  0.002,  -0.000,  -0.005)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.584,  -1.508,   0.127)  (  0.584,  -1.505,   0.127)  ( 0.03,  0.19,  0.00)
182:     angle   (  3.179,   1.068,  -1.976)  (  3.180,   1.068,  -1.975)  ( 0.02,  0.01,  0.03)
182:     strbnd  (  1.545,   1.128,  -0.502)  (  1.545,   1.128,  -0.502)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.227,   0.048,  -0.478)  (  0.227,   0.048,  -0.478)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -5.534,  -0.739,   2.823)  ( -5.534,  -0.739,   2.823)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 26       (  0.000,  -0.022,  -0.005)  (  0.001,  -0.019,  -0.005)  ( 0.00,  0.01,  0.00)
182:     bond    ( -0.113,   0.424,  -0.059)  ( -0.112,   0.427,  -0.059)  ( 0.00,  0.13,  0.00)
182:     angle   (  3.229,   1.089,   1.750)  (  3.230,   1.089,   1.750)  ( 0.01,  0.00,  0.03)
182:     strbnd  (  0.321,  -0.323,   0.447)  (  0.321,  -0.323,   0.447)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.630,   0.104,  -0.450)  (  0.630,   0.104,  -0.450)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.068,  -1.316,  -1.694)  ( -4.067,  -1.316,  -1.694)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 27       (  0.003,  -0.007,  -0.005)  (  0.004,  -0.006,  -0.002)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.111,   0.117,  -0.410)  (  0.111,   0.118,  -0.407)  ( 0.00,  0.00,  0.12)
182:     angle   (  3.583,   2.700,   1.758)  (  3.583,   2.701,   1.758)  ( 0.01,  0.02,  0.00)
182:     strbnd  (  0.267,   0.398,   0.009)  (  0.267,   0.398,   0.009)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.217,  -0.162,   0.012)  (  0.217,  -0.162,   0.012)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.174,  -3.061,  -1.375)  ( -4.174,  -3.061,  -1.375)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 28       ( -0.011,  -0.006,   0.002)  ( -0.007,  -0.005,   0.002)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.690,  -0.082,  -0.103)  (  1.693,  -0.082,  -0.103)  ( 0.20,  0.00,  0.00)
182:     angle   (  0.030,   0.569,   0.034)  (  0.030,   0.569,   0.035)  ( 0.00,  0.03,  0.00)
182:     strbnd  ( -1.242,   0.339,   0.433)  ( -1.242,   0.339,   0.433)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.001,  -0.311,   0.262)  (  0.001,  -0.311,   0.262)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.489,  -0.521,  -0.624)  ( -0.489,  -0.521,  -0.624)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: ok 10 # gradients 
182: ok 11 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : surdox02.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
183:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
183:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
183:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
183:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
183:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
183:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
183: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
183:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
183:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
183:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
183:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
183: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
183:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
183:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
183:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
183:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
183: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
183:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
183:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
183:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
183:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
183:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
183: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
183:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
183:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
183:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
183:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
183:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
183: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
183:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
183:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
183:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
183:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
179:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
179:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
179:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
179:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
179:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
179:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
179:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
179:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
179:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
179:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
179:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
179:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
179:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
179:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
179:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
179: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
179:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
179:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
179:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
179: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
179:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
179:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
179:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
179:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
179: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
182:  1       (  0.013,  -0.116,  -0.042)  (  0.127,  -0.099,  -0.306)  ( 0.15,  0.20,  1.11)
182:     bond    (  2.996,  -0.181,   5.906)  (  3.000,  -0.170,   5.908)  ( 0.14,  0.21,  0.03)
182:     angle   ( -0.615,   0.021,  -2.208)  ( -0.614,   0.022,  -2.207)  ( 0.09,  0.00,  0.06)
182:     strbnd  ( 31.994,  -0.001,  12.086)  ( 31.994,  -0.002,  12.085)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.329,   0.014,  -0.811)  (  0.329,   0.014,  -0.811)  ( 0.00,  0.00,  0.01)
182:     oop     ( -0.655,  -0.027,   1.614)  ( -0.546,  -0.023,   1.348)  ( 7.08,  0.01, 16.52)
182:     vdw     ( -1.367,   0.002,  -0.677)  ( -1.367,   0.002,  -0.677)  ( 0.00,  0.00,  0.00)
182:     electro (-32.669,   0.057, -15.952)  (-32.669,   0.057, -15.952)  ( 0.00,  0.00,  0.00)
182:  2       (  4.052,   0.153,  -9.314)  (  3.390,   0.134,  -7.713)  (16.34,  0.28, 17.19)
182:     bond    (-24.654,  -0.013,  -8.873)  (-24.650,  -0.006,  -8.872)  ( 0.02,  0.01,  0.01)
182:     angle   ( 26.151,  -0.059,  14.095)  ( 26.154,  -0.057,  14.095)  ( 0.01,  0.01,  0.00)
182:     strbnd  ( -2.586,   0.026,  -2.810)  ( -2.588,   0.025,  -2.810)  ( 0.08,  0.00,  0.00)
182:     torsion (  1.175,   0.034,  -1.921)  (  1.175,   0.034,  -1.921)  ( 0.01,  0.00,  0.02)
182:     oop     (  3.967,   0.165,  -9.805)  (  3.300,   0.138,  -8.205)  (16.80,  0.44, 16.32)
182:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:  3       ( -8.105,  -1.860,  15.243)  ( -7.466,  -1.785,  13.960)  ( 7.89,  4.01,  8.42)
182:     bond    (  3.669,  20.808,   1.591)  (  3.675,  20.815,   1.593)  ( 0.15,  0.03,  0.11)
182:     angle   (-16.152,   8.087,  -6.190)  (-16.150,   8.089,  -6.189)  ( 0.01,  0.02,  0.01)
182:     strbnd  (-15.060, -18.986,  -5.342)  (-15.060, -18.986,  -5.342)  ( 0.00,  0.00,  0.00)
182:     torsion ( -4.535,   0.373,  10.304)  ( -4.535,   0.373,  10.304)  ( 0.00,  0.00,  0.00)
182:     oop     ( -4.284,  -0.802,   8.672)  ( -3.652,  -0.736,   7.386)  (14.76,  5.30, 14.82)
182:     vdw     (  4.304,  -0.146,   0.652)  (  4.304,  -0.146,   0.652)  ( 0.00,  0.00,  0.00)
182:     electro ( 23.952, -11.196,   5.555)  ( 23.952, -11.196,   5.555)  ( 0.00,  0.00,  0.00)
182:  4       (  0.007,   0.012,  -0.004)  (  0.009,   0.018,  -0.003)  ( 0.00,  0.01,  0.00)
182:     bond    (  1.917,   4.448,  -1.522)  (  1.918,   4.454,  -1.521)  ( 0.06,  0.13,  0.05)
182:     angle   (  0.657,  -0.203,   0.234)  (  0.657,  -0.203,   0.234)  ( 0.04,  0.00,  0.01)
182:     strbnd  (  0.365,   0.126,   0.367)  (  0.365,   0.126,   0.367)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.311,  -0.150,  -0.658)  ( -4.311,  -0.150,  -0.658)  ( 0.00,  0.00,  0.00)
182:     electro (  1.379,  -4.208,   1.576)  (  1.379,  -4.208,   1.576)  ( 0.00,  0.00,  0.00)
182:  5       (  3.820,   0.567,  -5.159)  (  3.587,   0.555,  -4.838)  ( 6.10,  0.68,  6.22)
182:     bond    (  2.147,   0.095,   1.594)  (  2.150,   0.095,   1.596)  ( 0.15,  0.00,  0.11)
182:     angle   (  0.148,  -1.267,  -0.124)  (  0.148,  -1.266,  -0.124)  ( 0.00,  0.05,  0.00)
182:     strbnd  (  0.091,   0.467,  -0.005)  (  0.091,   0.467,  -0.005)  ( 0.00,  0.00,  0.00)
182:     torsion (  2.813,  -0.764,  -3.745)  (  2.813,  -0.764,  -3.745)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.624,   0.265,  -2.204)  (  1.388,   0.253,  -1.885)  (14.55,  0.34, 14.48)
182:     vdw     ( -0.057,   0.074,  -0.025)  ( -0.057,   0.074,  -0.025)  ( 0.00,  0.00,  0.00)
182:     electro ( -2.946,   1.696,  -0.650)  ( -2.946,   1.696,  -0.650)  ( 0.00,  0.00,  0.00)
182:  6       (  2.250,   1.416,  -5.425)  (  2.135,   1.350,  -5.124)  ( 5.11,  4.70,  5.54)
182:     bond    (  2.991,  -4.569,   0.099)  (  2.993,  -4.566,   0.099)  ( 0.05,  0.07,  0.00)
182:     angle   (  2.530,   1.664,   0.255)  (  2.530,   1.664,   0.256)  ( 0.02,  0.01,  0.00)
182:     strbnd  ( -0.003,   0.684,   0.085)  ( -0.003,   0.684,   0.085)  ( 0.00,  0.00,  0.00)
181: 40       (  0.267,   2.896,  -2.083)  (  0.251,   2.749,  -1.926)  ( 0.44,  5.06,  7.51)
181:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
181:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.960,  -0.598,   1.997)  (  1.960,  -0.598,   1.997)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.155,   1.094,  -1.118)  (  0.137,   0.945,  -0.964)  ( 0.28, 13.62, 13.81)
181:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
181:     electro (  4.281,   5.730,   5.098)  (  4.281,   5.730,   5.098)  ( 0.00,  0.00,  0.00)
181: 41       (  0.150,  -0.326,  -1.122)  (  0.156,  -0.330,  -1.156)  ( 0.09,  0.11,  3.09)
181:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
181:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
181:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
181:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.219,   0.276,   0.899)  ( -0.219,   0.276,   0.899)  ( 0.00,  0.00,  0.00)
181: 42       ( -0.022,   0.418,   1.179)  ( -0.018,   0.419,   1.187)  ( 0.01,  0.04,  0.61)
181:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
181:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
181:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
181:     electro (  0.772,   0.610,   1.902)  (  0.772,   0.610,   1.902)  ( 0.00,  0.00,  0.00)
181: 43       ( -0.711,   0.449,   1.668)  ( -0.708,   0.450,   1.671)  ( 0.25,  0.04,  0.19)
181:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
181:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
181:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.286,  -0.265,   0.445)  ( -0.286,  -0.265,   0.445)  ( 0.00,  0.00,  0.00)
181: 44       ( -1.146,   0.069,   0.778)  ( -1.144,   0.072,   0.786)  ( 0.13,  0.02,  0.61)
181:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
181:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
181:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
181:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
181:     electro (  0.156,  -0.607,   0.072)  (  0.156,  -0.607,   0.072)  ( 0.00,  0.00,  0.00)
181: 45       ( -0.998,  -0.419,  -0.572)  ( -0.996,  -0.416,  -0.587)  ( 0.13,  0.13,  0.80)
181:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
181:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
181:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
183:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
183: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
183:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
183:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
183:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
183:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
183:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
183: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
183:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
183:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
183:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
183: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
183:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
183:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
183:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
183:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
183:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
183: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
183:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
183:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
183:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
183:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
183:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
183: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
183:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
183:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
183:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
183:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
183: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
183:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
182:     torsion (  0.969,   0.522,  -5.191)  (  0.969,   0.522,  -5.191)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.003,   0.606,  -2.371)  (  0.886,   0.536,  -2.071)  (11.64,  4.24, 12.66)
182:     vdw     (  0.745,   0.835,   0.378)  (  0.745,   0.835,   0.378)  ( 0.00,  0.00,  0.00)
182:     electro ( -5.985,   1.676,   1.320)  ( -5.985,   1.676,   1.320)  ( 0.00,  0.00,  0.00)
182:  7       ( -0.036,   0.074,   0.033)  ( -0.035,   0.080,   0.034)  ( 0.01,  0.04,  0.00)
182:     bond    (  1.920,  -4.294,  -1.614)  (  1.922,  -4.288,  -1.613)  ( 0.06,  0.13,  0.05)
182:     angle   (  0.658,   0.204,   0.241)  (  0.659,   0.204,   0.242)  ( 0.04,  0.00,  0.01)
182:     strbnd  (  0.365,  -0.134,   0.362)  (  0.365,  -0.134,   0.361)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.313,   0.123,  -0.654)  ( -4.313,   0.123,  -0.654)  ( 0.00,  0.00,  0.00)
182:     electro (  1.333,   4.175,   1.698)  (  1.333,   4.175,   1.698)  ( 0.00,  0.00,  0.00)
182:  8       ( -8.181,   1.288,  15.260)  ( -7.542,   1.275,  13.976)  ( 7.82,  1.04,  8.42)
182:     bond    (  3.840, -20.844,   0.957)  (  3.846, -20.837,   0.959)  ( 0.14,  0.03,  0.17)
182:     angle   (-16.070,  -8.077,  -6.428)  (-16.068,  -8.075,  -6.428)  ( 0.01,  0.02,  0.01)
182:     strbnd  (-15.264,  18.971,  -4.788)  (-15.265,  18.971,  -4.788)  ( 0.00,  0.00,  0.00)
182:     torsion ( -4.529,  -0.723,  10.288)  ( -4.529,  -0.723,  10.288)  ( 0.00,  0.00,  0.00)
182:     oop     ( -4.291,   0.502,   8.691)  ( -3.658,   0.480,   7.404)  (14.75,  1.09, 14.81)
182:     vdw     (  4.302,   0.173,   0.657)  (  4.302,   0.173,   0.657)  ( 0.00,  0.00,  0.00)
182:     electro ( 23.831,  11.286,   5.883)  ( 23.831,  11.286,   5.883)  ( 0.00,  0.00,  0.00)
182:  9       (  3.858,  -0.382,  -5.148)  (  3.625,  -0.380,  -4.827)  ( 6.04,  0.06,  6.24)
182:     bond    (  2.181,  -0.120,   1.616)  (  2.185,  -0.120,   1.617)  ( 0.14,  0.00,  0.11)
182:     angle   (  0.134,   1.267,  -0.087)  (  0.134,   1.267,  -0.087)  ( 0.00,  0.05,  0.00)
182:     strbnd  (  0.096,  -0.466,  -0.019)  (  0.096,  -0.466,  -0.019)  ( 0.00,  0.00,  0.00)
182:     torsion (  2.804,   0.904,  -3.721)  (  2.804,   0.904,  -3.721)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.627,  -0.183,  -2.211)  (  1.390,  -0.183,  -1.891)  (14.53,  0.02, 14.45)
182:     vdw     ( -0.056,  -0.074,  -0.027)  ( -0.056,  -0.074,  -0.027)  ( 0.00,  0.00,  0.00)
182:     electro ( -2.928,  -1.708,  -0.700)  ( -2.928,  -1.708,  -0.700)  ( 0.00,  0.00,  0.00)
182: 10       (  2.285,  -1.211,  -5.461)  (  2.169,  -1.148,  -5.158)  ( 5.07,  5.24,  5.54)
182:     bond    (  2.961,   4.619,   0.235)  (  2.962,   4.623,   0.235)  ( 0.05,  0.07,  0.00)
182:     angle   (  2.550,  -1.645,   0.209)  (  2.551,  -1.645,   0.209)  ( 0.02,  0.01,  0.00)
182:     strbnd  (  0.004,  -0.685,   0.065)  (  0.004,  -0.685,   0.065)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.973,  -0.360,  -5.204)  (  0.973,  -0.360,  -5.204)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.009,  -0.526,  -2.388)  (  0.892,  -0.466,  -2.086)  (11.64,  3.15, 12.65)
182:     vdw     (  0.753,  -0.837,   0.354)  (  0.753,  -0.837,   0.354)  ( 0.00,  0.00,  0.00)
182:     electro ( -5.967,  -1.778,   1.269)  ( -5.967,  -1.778,   1.269)  ( 0.00,  0.00,  0.00)
182: ok 12 # gradients 
182: ok 13 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : valwou.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
182:  1       ( -0.011,   0.008,  -0.002)  ( -0.007,   0.009,   0.001)  ( 0.00,  0.00,  0.00)
182:     bond    (-15.066,   0.590,  13.579)  (-15.064,   0.590,  13.581)  ( 0.02,  0.02,  0.01)
182:     angle   (  8.215,  21.265,  -1.187)  (  8.215,  21.265,  -1.186)  ( 0.01,  0.00,  0.09)
182:     strbnd  ( 13.283,   1.537, -11.705)  ( 13.283,   1.537, -11.705)  ( 0.00,  0.01,  0.00)
182:     torsion (  0.469,  -0.818,  -0.491)  (  0.469,  -0.818,  -0.491)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (-16.349, -14.076,  -9.889)  (-16.349, -14.076,  -9.889)  ( 0.00,  0.00,  0.00)
182:     electro (  9.439,  -8.489,   9.691)  (  9.439,  -8.489,   9.691)  ( 0.00,  0.00,  0.00)
182:  2       (  0.049,  -0.041,  -0.050)  (  0.056,  -0.038,  -0.044)  ( 0.03,  0.01,  0.03)
182:     bond    ( -1.989,  -5.973,   5.396)  ( -1.982,  -5.971,   5.401)  ( 0.31,  0.05,  0.09)
182:     angle   ( 12.171,  18.575,  -1.290)  ( 12.172,  18.576,  -1.289)  ( 0.01,  0.01,  0.12)
182:     strbnd  ( -6.382, -16.381,   1.658)  ( -6.383, -16.382,   1.658)  ( 0.01,  0.00,  0.03)
182:     torsion (  1.307,  -0.613,  -0.923)  (  1.307,  -0.613,  -0.923)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.101,   3.444,  -3.337)  ( -4.101,   3.444,  -3.336)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.957,   0.907,  -1.554)  ( -0.957,   0.907,  -1.554)  ( 0.00,  0.00,  0.00)
182:  3       ( -0.003,   0.017,   0.026)  ( -0.002,   0.019,   0.030)  ( 0.00,  0.00,  0.01)
182:     bond    (  0.886,  -2.327,  -4.505)  (  0.886,  -2.325,  -4.501)  ( 0.02,  0.05,  0.10)
182:     angle   ( -9.163,  -7.934,   2.295)  ( -9.162,  -7.934,   2.295)  ( 0.01,  0.00,  0.00)
182:     strbnd  (  0.035,  -1.201,  -0.650)  (  0.035,  -1.201,  -0.650)  ( 0.00,  0.01,  0.01)
182:     torsion ( -1.075,   0.327,  -0.381)  ( -1.075,   0.327,  -0.381)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -2.954,   9.054,  -3.466)  ( -2.954,   9.054,  -3.466)  ( 0.00,  0.00,  0.00)
182:     electro ( 12.267,   2.097,   6.733)  ( 12.267,   2.097,   6.733)  ( 0.00,  0.00,  0.00)
182:  4       ( -0.066,   0.014,   0.013)  ( -0.060,   0.015,   0.014)  ( 0.04,  0.00,  0.00)
182:     bond    ( -1.807,   0.231,   0.350)  ( -1.802,   0.231,   0.350)  ( 0.32,  0.00,  0.01)
182:     angle   ( -2.264, -11.394,  -4.125)  ( -2.264, -11.394,  -4.124)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -1.121,  -0.534,   0.432)  ( -1.121,  -0.534,   0.432)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.219,   0.087,   1.070)  (  0.219,   0.087,   1.070)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -5.300,   9.953, -11.232)  ( -5.300,   9.953, -11.232)  ( 0.00,  0.00,  0.00)
182:     electro ( 10.207,   1.672,  13.519)  ( 10.207,   1.672,  13.519)  ( 0.00,  0.00,  0.00)
182:  5       (  0.024,  -0.012,   0.001)  (  0.031,  -0.008,   0.006)  ( 0.02,  0.00,  0.00)
182:     bond    ( -2.431,  13.799,  -9.128)  ( -2.426,  13.802,  -9.124)  ( 0.21,  0.02,  0.05)
182:     angle   (-13.514, -12.442,   3.433)  (-13.512, -12.439,   3.435)  ( 0.02,  0.02,  0.07)
182:     strbnd  ( 10.215,   7.073,   7.282)  ( 10.214,   7.072,   7.280)  ( 0.01,  0.02,  0.02)
182:     torsion ( -0.178,  -0.134,  -0.164)  ( -0.178,  -0.134,  -0.164)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -3.406,   1.106,   0.053)  ( -3.406,   1.106,   0.053)  ( 0.00,  0.00,  0.00)
182:     electro (  9.338,  -9.414,  -1.474)  (  9.338,  -9.414,  -1.474)  ( 0.00,  0.00,  0.00)
182:  6       ( -0.012,   0.002,   0.003)  ( -0.008,   0.003,   0.004)  ( 0.01,  0.00,  0.00)
182:     bond    (  1.492,  -0.032,   0.115)  (  1.496,  -0.032,   0.116)  ( 0.29,  0.00,  0.00)
182:     angle   (  0.143,   3.198,  -0.968)  (  0.143,   3.199,  -0.968)  ( 0.00,  0.02,  0.08)
182:     strbnd  (  0.299,   1.855,  -1.309)  (  0.299,   1.855,  -1.309)  ( 0.00,  0.00,  0.00)
179:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
179:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
179:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
179:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
179: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
179:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
179:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
179:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
179:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
179: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
179:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
179:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
179:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
179:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
179: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
179:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
179:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
179:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
179: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
179:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
179:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
179:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
179: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
179:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
179:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
183:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
183:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
183:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
183: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
183:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
183:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
183:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
183:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
183:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
183:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
183:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
183:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
183:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
183:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
183:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
183:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
183:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
183:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
183:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
179:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
179: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
179:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
179:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
179:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
179: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
179:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
179:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
179:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
179:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
179:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
179:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
179:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
179:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
179:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
179:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
179:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
182:     torsion ( -0.068,   0.501,   1.024)  ( -0.068,   0.501,   1.024)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.080,  -0.124,  -0.022)  (  0.080,  -0.124,  -0.022)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.958,  -5.395,   1.163)  ( -1.958,  -5.395,   1.163)  ( 0.00,  0.00,  0.00)
182:  7       ( -0.003,   0.001,  -0.011)  ( -0.002,   0.003,  -0.008)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.037,  -1.995,  -2.372)  (  1.037,  -1.994,  -2.370)  ( 0.04,  0.08,  0.10)
182:     angle   (  7.753,   4.193,  -0.134)  (  7.753,   4.193,  -0.134)  ( 0.01,  0.01,  0.00)
182:     strbnd  ( -1.461,   4.844,   2.139)  ( -1.461,   4.844,   2.139)  ( 0.01,  0.00,  0.00)
182:     torsion ( -0.878,  -0.004,  -0.381)  ( -0.878,  -0.004,  -0.381)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.671,  -0.499,  -3.122)  ( -4.671,  -0.499,  -3.122)  ( 0.00,  0.00,  0.00)
182:     electro ( -1.784,  -6.538,   3.859)  ( -1.784,  -6.538,   3.859)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.032,  -0.009,  -0.062)  ( -0.026,  -0.003,  -0.056)  ( 0.02,  0.01,  0.04)
182:     bond    ( 28.388,  -6.583,  25.817)  ( 28.392,  -6.579,  25.822)  ( 0.01,  0.07,  0.02)
182:     angle   ( 20.852, -42.145,   9.628)  ( 20.855, -42.143,   9.631)  ( 0.01,  0.01,  0.03)
182:     strbnd  (-22.777,  13.988,  -5.015)  (-22.779,  13.987,  -5.016)  ( 0.01,  0.01,  0.03)
182:     torsion (  0.321,   0.437,   0.397)  (  0.321,   0.437,   0.397)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -4.001,  -4.773,  -0.834)  ( -4.001,  -4.773,  -0.833)  ( 0.00,  0.00,  0.01)
182:     electro (-22.814,  39.068, -30.055)  (-22.814,  39.068, -30.055)  ( 0.00,  0.00,  0.00)
182:  9       ( -0.012,  -0.016,   0.015)  ( -0.010,  -0.015,   0.019)  ( 0.00,  0.00,  0.01)
182:     bond    (  4.898,   2.108, -13.219)  (  4.899,   2.108, -13.215)  ( 0.01,  0.00,  0.03)
182:     angle   (-15.468,  14.840,  -3.366)  (-15.467,  14.841,  -3.366)  ( 0.00,  0.01,  0.00)
182:     strbnd  (  2.100,  -0.558,   3.958)  (  2.100,  -0.557,   3.957)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.237,   0.413,  -0.022)  ( -0.237,   0.413,  -0.022)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.287,  -9.907,  -2.057)  (  2.287,  -9.907,  -2.057)  ( 0.01,  0.00,  0.00)
182:     electro (  6.408,  -6.914,  14.722)  (  6.408,  -6.914,  14.722)  ( 0.00,  0.00,  0.00)
182: 10       (  0.005,   0.002,  -0.008)  (  0.006,   0.006,  -0.007)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.622,   8.610,  -1.046)  ( -0.621,   8.614,  -1.046)  ( 0.00,  0.05,  0.01)
182:     angle   ( -2.836,  -0.584,  -3.128)  ( -2.836,  -0.584,  -3.128)  ( 0.03,  0.00,  0.03)
182:     strbnd  (  3.566,  -9.587,   2.403)  (  3.565,  -9.587,   2.403)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.022,  -0.015,  -0.134)  (  0.022,  -0.015,  -0.134)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -6.627,  -4.176,  -5.962)  ( -6.626,  -4.176,  -5.962)  ( 0.00,  0.00,  0.00)
182:     electro (  6.502,   5.754,   7.859)  (  6.502,   5.754,   7.859)  ( 0.00,  0.00,  0.00)
182: 11       (  0.002,   0.013,   0.066)  (  0.007,   0.019,   0.072)  ( 0.00,  0.01,  0.04)
182:     bond    (  1.773,   2.387,  -5.000)  (  1.776,   2.390,  -4.997)  ( 0.16,  0.12,  0.06)
182:     angle   (  0.727,  15.938,  -2.297)  (  0.730,  15.941,  -2.294)  ( 0.20,  0.02,  0.12)
182:     strbnd  (  3.999,   0.582,   7.350)  (  3.998,   0.581,   7.349)  ( 0.02,  0.04,  0.01)
182:     torsion (  0.269,  -0.168,  -0.155)  (  0.269,  -0.168,  -0.155)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (-12.090,  -5.836, -10.984)  (-12.090,  -5.836, -10.983)  ( 0.00,  0.00,  0.00)
182:     electro (  5.324, -12.890,  11.152)  (  5.324, -12.890,  11.152)  ( 0.00,  0.00,  0.00)
182: 12       (  0.053,   0.047,   0.012)  (  0.059,   0.054,   0.016)  ( 0.03,  0.03,  0.00)
181:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
181:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
181:     electro (  0.755,  -0.106,   0.094)  (  0.755,  -0.106,   0.094)  ( 0.00,  0.00,  0.00)
181: 46       ( -0.462,  -0.436,  -1.022)  ( -0.460,  -0.433,  -1.035)  ( 0.08,  0.10,  1.34)
181:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
181:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
181:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.829,   1.345,   0.268)  ( -0.829,   1.345,   0.268)  ( 0.00,  0.00,  0.00)
181: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
181:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
181:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
181:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
181:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
181:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
181:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
181:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
181:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
181:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
181:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
181:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
181:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
181:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
182:     bond    ( 12.471,   8.264,  -8.201)  ( 12.475,   8.269,  -8.198)  ( 0.03,  0.05,  0.04)
182:     angle   ( -4.431,  -3.492,  12.184)  ( -4.428,  -3.490,  12.186)  ( 0.05,  0.06,  0.02)
182:     strbnd  ( -0.524,  -0.135,  -1.592)  ( -0.525,  -0.135,  -1.593)  ( 0.04,  0.01,  0.09)
182:     torsion (  0.324,   0.205,  -0.795)  (  0.324,   0.205,  -0.795)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -2.153,  -5.825,  12.012)  ( -2.153,  -5.825,  12.012)  ( 0.01,  0.00,  0.00)
182:     electro ( -5.634,   1.031, -13.597)  ( -5.634,   1.031, -13.597)  ( 0.00,  0.00,  0.00)
182: 13       ( -0.033,   0.044,  -0.066)  ( -0.028,   0.050,  -0.060)  ( 0.02,  0.02,  0.04)
182:     bond    ( -1.022,   2.769, -11.636)  ( -1.018,   2.773, -11.632)  ( 0.38,  0.15,  0.04)
182:     angle   (  2.667,  -0.692,   3.803)  (  2.669,  -0.690,   3.805)  ( 0.08,  0.14,  0.05)
182:     strbnd  ( -0.724,  -0.340,  -1.109)  ( -0.725,  -0.341,  -1.109)  ( 0.06,  0.02,  0.06)
182:     torsion (  0.405,   1.098,  -1.920)  (  0.405,   1.098,  -1.920)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -1.359,  -2.790,  10.796)  ( -1.359,  -2.790,  10.796)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 14       (  0.007,  -0.025,   0.013)  (  0.013,  -0.021,   0.019)  ( 0.00,  0.01,  0.01)
182:     bond    ( 11.175, -20.171,  13.213)  ( 11.179, -20.168,  13.217)  ( 0.04,  0.02,  0.03)
182:     angle   (  2.571,   9.759,   3.518)  (  2.573,   9.761,   3.520)  ( 0.08,  0.02,  0.06)
182:     strbnd  ( -2.280,   2.701,  -3.055)  ( -2.280,   2.700,  -3.056)  ( 0.02,  0.05,  0.02)
182:     torsion ( -0.110,  -0.615,   0.673)  ( -0.110,  -0.615,   0.673)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.374,  10.869,  -0.069)  (  0.374,  10.869,  -0.069)  ( 0.01,  0.00,  0.00)
182:     electro (-11.723,  -2.568, -14.267)  (-11.723,  -2.568, -14.267)  ( 0.00,  0.00,  0.00)
182: 15       (  0.013,  -0.037,  -0.024)  (  0.019,  -0.032,  -0.019)  ( 0.01,  0.02,  0.01)
182:     bond    ( -3.351, -12.352,  -4.364)  ( -3.347, -12.347,  -4.360)  ( 0.12,  0.03,  0.09)
182:     angle   (  1.262,   4.111,   2.963)  (  1.264,   4.113,   2.965)  ( 0.16,  0.05,  0.07)
182:     strbnd  (  0.414,  -1.051,   0.669)  (  0.413,  -1.052,   0.669)  ( 0.03,  0.07,  0.04)
182:     torsion (  0.521,  -2.349,  -0.078)  (  0.521,  -2.349,  -0.078)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  1.168,  11.604,   0.785)  (  1.168,  11.604,   0.785)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 16       ( -0.001,   0.047,  -0.037)  (  0.003,   0.054,  -0.031)  ( 0.00,  0.03,  0.02)
182:     bond    (-10.254,  10.924,  12.441)  (-10.251,  10.929,  12.446)  ( 0.03,  0.04,  0.03)
182:     angle   ( 11.832,  -5.832,   1.537)  ( 11.834,  -5.830,   1.540)  ( 0.02,  0.04,  0.14)
182:     strbnd  (  3.079,  -1.593,  -1.792)  (  3.078,  -1.593,  -1.793)  ( 0.04,  0.03,  0.03)
182:     torsion ( -0.671,   0.413,   0.394)  ( -0.671,   0.413,   0.394)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 10.629,  -5.544,  -4.869)  ( 10.629,  -5.544,  -4.869)  ( 0.00,  0.00,  0.00)
182:     electro (-14.616,   1.679,  -7.750)  (-14.616,   1.679,  -7.750)  ( 0.00,  0.00,  0.00)
182: 17       (  0.044,  -0.013,  -0.069)  (  0.050,  -0.007,  -0.064)  ( 0.02,  0.01,  0.04)
182:     bond    (-11.600,   1.517,   0.561)  (-11.596,   1.521,   0.565)  ( 0.04,  0.28,  0.22)
182:     angle   (  4.361,   1.078,   1.006)  (  4.363,   1.080,   1.008)  ( 0.05,  0.19,  0.21)
182:     strbnd  ( -1.688,  -0.141,  -0.612)  ( -1.689,  -0.142,  -0.613)  ( 0.04,  0.01,  0.05)
182:     torsion ( -1.913,   0.730,   0.873)  ( -1.913,   0.730,   0.873)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
183:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
183:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
183:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
183:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
183:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
183:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
183:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
183:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
183:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
183:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
183:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
183:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
183:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
183:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
179:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
179:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 16 # gradients 
179: ok 17 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
181:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
181:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
181:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
181:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
181:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
181:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
181:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
181:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
181:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
181:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
181:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
181:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
181:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
181:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
181:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
181:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
183:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
183:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
183:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
183:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
183: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
183:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
183:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
183:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
183:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
183: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
183:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
183:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
183:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
183: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
183:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
183:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
183:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
183: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
183:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
183:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
183:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
183: ok 2 # gradients 
183: ok 3 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CCCN.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
179:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
179:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
183:  1       (  1.985,   1.075,   0.562)  (  1.994,   1.082,   0.564)  ( 0.43,  0.62,  0.10)
183:     bond    (  5.237,   0.172,   1.390)  (  5.245,   0.178,   1.391)  ( 0.15,  0.09,  0.04)
183:     angle   ( -3.469,   1.277,  -0.875)  ( -3.468,   1.279,  -0.875)  ( 0.03,  0.14,  0.01)
183:     strbnd  (  1.478,   0.534,   0.407)  (  1.477,   0.533,   0.407)  ( 0.04,  0.03,  0.00)
183:     torsion ( -0.001,  -0.000,   0.002)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.604,  -0.435,  -0.173)  ( -0.604,  -0.435,  -0.173)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.656,  -0.472,  -0.188)  ( -0.656,  -0.472,  -0.188)  ( 0.00,  0.00,  0.00)
183:  2       ( -0.035,   0.614,  -0.000)  ( -0.026,   0.621,   0.002)  ( 0.03,  0.42,  0.00)
183:     bond    ( -4.097,   4.193,  -0.946)  ( -4.089,   4.199,  -0.946)  ( 0.20,  0.13,  0.06)
183:     angle   (  6.070,  -3.235,   1.494)  (  6.071,  -3.233,   1.494)  ( 0.02,  0.06,  0.02)
183:     strbnd  ( -2.009,  -0.344,  -0.542)  ( -2.010,  -0.344,  -0.542)  ( 0.03,  0.02,  0.00)
183:     torsion (  0.001,   0.000,  -0.005)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.001)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       (  0.889,   0.122,   0.242)  (  0.890,   0.124,   0.242)  ( 0.13,  0.03,  0.01)
183:     bond    (  1.119,   1.704,   0.350)  (  1.120,   1.706,   0.350)  ( 0.10,  0.15,  0.00)
183:     angle   (  1.146,  -0.809,   0.277)  (  1.146,  -0.809,   0.277)  ( 0.03,  0.02,  0.00)
183:     strbnd  ( -0.382,  -0.759,  -0.125)  ( -0.382,  -0.759,  -0.125)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,  -0.000,   0.003)  ( -0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.717,  -0.020,  -0.190)  ( -0.717,  -0.020,  -0.190)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.275,   0.006,  -0.072)  ( -0.275,   0.006,  -0.072)  ( 0.00,  0.00,  0.00)
183:  4       (  0.533,  -0.554,   0.119)  (  0.534,  -0.551,   0.119)  ( 0.07,  0.16,  0.00)
183:     bond    (  1.259,  -2.407,   0.256)  (  1.260,  -2.404,   0.256)  ( 0.06,  0.12,  0.00)
183:     angle   (  2.423,   1.342,   0.683)  (  2.423,   1.343,   0.683)  ( 0.02,  0.01,  0.00)
183:     strbnd  ( -0.083,   0.405,  -0.009)  ( -0.083,   0.405,  -0.009)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.868,  -0.122,  -0.761)  ( -2.868,  -0.122,  -0.761)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.198,   0.228,  -0.045)  ( -0.198,   0.228,  -0.045)  ( 0.00,  0.00,  0.00)
183:  5       ( -1.377,  -1.164,  -0.402)  ( -1.376,  -1.161,  -0.402)  ( 0.09,  0.26,  0.01)
183:     bond    ( -0.396,   0.799,  -0.079)  ( -0.395,   0.802,  -0.079)  ( 0.03,  0.24,  0.00)
183:     angle   ( -2.535,  -1.318,  -0.711)  ( -2.535,  -1.318,  -0.711)  ( 0.02,  0.01,  0.00)
183:     strbnd  (  0.514,  -0.809,   0.110)  (  0.514,  -0.809,   0.110)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,   0.000,  -0.002)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.567,  -0.187,   0.144)  (  0.567,  -0.187,   0.144)  ( 0.00,  0.00,  0.00)
183:     electro (  0.472,   0.351,   0.136)  (  0.472,   0.351,   0.136)  ( 0.00,  0.00,  0.00)
183:  6       ( -2.292,  -0.999,  -0.620)  ( -2.286,  -0.988,  -0.619)  ( 0.27,  1.07,  0.09)
183:     bond    ( -3.396,  -4.839,  -1.050)  ( -3.390,  -4.829,  -1.049)  ( 0.15,  0.21,  0.05)
183:     angle   ( -3.250,   2.439,  -0.769)  ( -3.249,   2.440,  -0.768)  ( 0.03,  0.02,  0.06)
183:     strbnd  (  0.484,   0.974,   0.159)  (  0.484,   0.974,   0.159)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 10.884,  -3.197,  -1.897)  ( 10.884,  -3.196,  -1.897)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 18       ( -0.052,   0.010,   0.016)  ( -0.046,   0.015,   0.022)  ( 0.03,  0.01,  0.01)
182:     bond    ( -8.989,  -3.786,  -7.821)  ( -8.985,  -3.782,  -7.817)  ( 0.04,  0.10,  0.05)
182:     angle   ( -7.201,  -4.293,  -6.623)  ( -7.199,  -4.291,  -6.620)  ( 0.03,  0.05,  0.03)
182:     strbnd  (  0.874,   0.570,   0.666)  (  0.873,   0.569,   0.665)  ( 0.06,  0.05,  0.05)
182:     torsion (  3.308,   1.707,   2.879)  (  3.308,   1.708,   2.879)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( 11.956,   5.812,  10.915)  ( 11.956,   5.812,  10.915)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 19       ( -0.010,  -0.054,  -0.000)  ( -0.010,  -0.051,   0.000)  ( 0.00,  0.02,  0.00)
182:     bond    (  0.153,   1.775,  -0.001)  (  0.153,   1.779,  -0.001)  ( 0.00,  0.19,  0.00)
182:     angle   (  0.670,  -0.060,  -4.842)  (  0.670,  -0.060,  -4.841)  ( 0.03,  0.00,  0.01)
182:     strbnd  (  0.815,   0.040,  -1.119)  (  0.815,   0.040,  -1.119)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.405,   0.035,   0.864)  ( -0.405,   0.035,   0.864)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -1.243,  -1.845,   5.098)  ( -1.243,  -1.845,   5.098)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 20       ( -0.030,   0.008,  -0.000)  ( -0.027,   0.009,   0.001)  ( 0.01,  0.00,  0.00)
182:     bond    (  1.090,  -0.510,  -0.354)  (  1.093,  -0.510,  -0.354)  ( 0.24,  0.03,  0.01)
182:     angle   ( -1.149,   1.385,  -5.542)  ( -1.148,   1.385,  -5.542)  ( 0.01,  0.03,  0.01)
182:     strbnd  (  0.136,   1.058,  -0.892)  (  0.136,   1.058,  -0.892)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.156,  -0.327,  -0.012)  ( -0.156,  -0.327,  -0.012)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.048,  -1.599,   6.800)  (  0.048,  -1.599,   6.800)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 21       (  0.026,  -0.047,   0.017)  (  0.027,  -0.045,   0.018)  ( 0.00,  0.01,  0.00)
182:     bond    ( -1.201,   2.098,  -1.005)  ( -1.200,   2.100,  -1.004)  ( 0.06,  0.10,  0.05)
182:     angle   (  1.262,  -0.296,  -2.127)  (  1.262,  -0.296,  -2.126)  ( 0.04,  0.01,  0.02)
182:     strbnd  (  0.580,  -0.948,  -0.176)  (  0.580,  -0.948,  -0.176)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.425,  -0.185,   0.120)  ( -0.425,  -0.185,   0.120)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     ( -0.190,  -0.716,   3.204)  ( -0.190,  -0.716,   3.204)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 22       ( -0.010,   0.005,   0.009)  ( -0.009,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.021,  -1.244,  -1.972)  (  1.022,  -1.244,  -1.970)  ( 0.05,  0.07,  0.10)
182:     angle   (  0.097,   2.258,  -1.376)  (  0.097,   2.259,  -1.375)  ( 0.00,  0.02,  0.01)
182:     strbnd  ( -0.623,   0.860,   0.374)  ( -0.623,   0.860,   0.374)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.785,  -0.995,   0.221)  ( -0.785,  -0.995,   0.221)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.280,  -0.873,   2.761)  (  0.280,  -0.873,   2.761)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 23       ( -0.000,  -0.002,  -0.005)  (  0.003,  -0.001,  -0.004)  ( 0.00,  0.00,  0.00)
182:     bond    ( -2.170,   0.852,   0.493)  ( -2.167,   0.853,   0.494)  ( 0.13,  0.04,  0.01)
183:     torsion ( -0.001,  -0.000,   0.004)  ( -0.001,  -0.000,   0.004)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.977,   0.183,   0.792)  (  2.977,   0.183,   0.792)  ( 0.00,  0.00,  0.00)
183:     electro (  0.894,   0.243,   0.244)  (  0.894,   0.243,   0.244)  ( 0.00,  0.00,  0.00)
183:  7       (  0.265,   0.865,   0.092)  (  0.269,   0.873,   0.093)  ( 0.11,  0.67,  0.01)
183:     bond    (  0.245,   0.341,   0.076)  (  0.249,   0.348,   0.077)  ( 0.10,  0.26,  0.00)
183:     angle   ( -0.389,   0.299,  -0.100)  ( -0.389,   0.299,  -0.099)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.646,   0.581,   0.189)  (  0.646,   0.581,   0.189)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.237,  -0.356,  -0.074)  ( -0.237,  -0.356,  -0.074)  ( 0.00,  0.00,  0.00)
183: ok 4 # gradients 
183: ok 5 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/CH3CONH2.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
181:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
181:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
181:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
181:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
181:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
181:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
181:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
181:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
181:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
181:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
181:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
181:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
181:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
181:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
181:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
181:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
182:     angle   ( -2.709,  -4.551,  -4.037)  ( -2.709,  -4.550,  -4.036)  ( 0.00,  0.01,  0.01)
182:     strbnd  (  0.176,  -2.037,   0.838)  (  0.176,  -2.037,   0.838)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.238,   0.878,  -0.470)  (  0.238,   0.878,  -0.470)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  4.466,   4.856,   3.170)  (  4.466,   4.856,   3.170)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 24       ( -0.002,   0.009,  -0.015)  ( -0.001,   0.010,  -0.012)  ( 0.00,  0.00,  0.00)
182:     bond    (  0.707,   0.613,  -2.070)  (  0.707,   0.614,  -2.067)  ( 0.02,  0.02,  0.14)
182:     angle   ( -4.504,  -2.559,  -2.301)  ( -4.503,  -2.559,  -2.301)  ( 0.01,  0.02,  0.01)
182:     strbnd  (  0.695,  -2.064,   0.376)  (  0.695,  -2.064,   0.376)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.221,  -0.053,  -0.091)  ( -0.221,  -0.053,  -0.091)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  3.321,   4.072,   4.071)  (  3.321,   4.072,   4.071)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 25       ( -0.009,  -0.007,  -0.002)  ( -0.007,  -0.005,  -0.001)  ( 0.00,  0.00,  0.00)
182:     bond    ( -1.648,  -1.647,   1.112)  ( -1.647,  -1.646,   1.112)  ( 0.08,  0.08,  0.06)
182:     angle   (  1.712,  -2.113,  -0.592)  (  1.713,  -2.113,  -0.591)  ( 0.02,  0.01,  0.03)
182:     strbnd  (  0.745,   0.180,  -0.903)  (  0.745,   0.180,  -0.903)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.112,   0.821,  -0.431)  ( -1.112,   0.821,  -0.431)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.294,   2.752,   0.812)  (  0.294,   2.752,   0.812)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 26       ( -0.008,   0.000,   0.010)  ( -0.007,   0.001,   0.012)  ( 0.00,  0.00,  0.00)
182:     bond    (  1.332,  -1.438,  -1.930)  (  1.333,  -1.438,  -1.928)  ( 0.06,  0.06,  0.09)
182:     angle   ( -0.781,  -2.060,   0.995)  ( -0.781,  -2.059,   0.995)  ( 0.03,  0.02,  0.03)
182:     strbnd  ( -0.923,   0.023,   0.780)  ( -0.923,   0.023,   0.780)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.202,   0.234,  -0.314)  ( -0.202,   0.234,  -0.314)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.566,   3.241,   0.479)  (  0.566,   3.241,   0.479)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 27       (  0.005,  -0.016,   0.014)  (  0.006,  -0.015,   0.017)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.381,  -0.596,   1.972)  ( -0.381,  -0.596,   1.975)  ( 0.00,  0.02,  0.15)
182:     angle   ( -5.129,   2.087,  -0.360)  ( -5.128,   2.087,  -0.360)  ( 0.01,  0.02,  0.00)
182:     strbnd  ( -1.239,   1.214,   0.126)  ( -1.239,   1.214,   0.126)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.569,  -0.651,  -0.087)  (  0.569,  -0.651,  -0.087)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  6.185,  -2.069,  -1.637)  (  6.186,  -2.069,  -1.637)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 28       (  0.001,  -0.026,  -0.001)  (  0.001,  -0.023,   0.000)  ( 0.00,  0.01,  0.00)
182:     bond    (  0.029,   2.103,  -0.090)  (  0.029,   2.106,  -0.090)  ( 0.00,  0.16,  0.00)
182:     angle   ( -3.823,   0.096,   0.999)  ( -3.823,   0.096,   0.999)  ( 0.02,  0.00,  0.05)
182:     strbnd  ( -1.408,   0.111,   1.022)  ( -1.408,   0.111,   1.022)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.186,  -0.014,  -0.265)  (  0.186,  -0.014,  -0.265)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  5.016,  -2.322,  -1.666)  (  5.016,  -2.322,  -1.666)  ( 0.00,  0.00,  0.00)
183:  1       (  0.639,   0.075,  -0.164)  (  0.645,   0.078,  -0.160)  ( 0.33,  0.02,  0.07)
183:     bond    (  4.786,   0.643,  -1.120)  (  4.790,   0.648,  -1.116)  ( 0.08,  0.30,  0.40)
183:     angle   ( -4.248,  -1.205,   2.065)  ( -4.246,  -1.204,   2.067)  ( 0.04,  0.13,  0.09)
183:     strbnd  (  1.309,   0.175,  -0.296)  (  1.308,   0.175,  -0.297)  ( 0.05,  0.01,  0.02)
183:     torsion (  0.038,  -0.180,   0.270)  (  0.038,  -0.180,   0.270)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.019,   0.011)  ( -0.000,   0.016,   0.009)  ( 0.00,  0.01,  0.00)
183:     vdw     ( -0.992,   0.534,  -0.937)  ( -0.992,   0.534,  -0.937)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.255,   0.090,  -0.157)  ( -0.255,   0.090,  -0.157)  ( 0.00,  0.00,  0.00)
183:  2       (  0.112,  -0.042,   0.049)  (  0.120,  -0.042,   0.054)  ( 0.08,  0.00,  0.03)
183:     bond    ( -6.313,   3.829,  -6.633)  ( -6.307,   3.832,  -6.625)  ( 0.09,  0.07,  0.12)
183:     angle   ( 14.795,   1.490,  -2.461)  ( 14.798,   1.491,  -2.460)  ( 0.02,  0.05,  0.06)
183:     strbnd  ( -8.362,  -5.365,   9.214)  ( -8.362,  -5.366,   9.212)  ( 0.01,  0.01,  0.02)
183:     torsion ( -0.008,  -0.021,  -0.086)  ( -0.008,  -0.021,  -0.086)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.026,   0.015)  (  0.000,   0.022,   0.012)  ( 0.00,  0.01,  0.00)
183:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       ( -2.634,   4.586,  -7.960)  ( -2.632,   4.583,  -7.958)  ( 0.10,  0.07,  0.03)
183:     bond    ( -1.795,  -1.762,   3.022)  ( -1.793,  -1.760,   3.028)  ( 0.11,  0.11,  0.18)
183:     angle   ( -8.883,   2.272,  -3.938)  ( -8.882,   2.272,  -3.938)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  5.080,   5.487,  -9.440)  (  5.080,   5.487,  -9.440)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,  -0.052,  -0.030)  (  0.000,  -0.052,  -0.030)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.025,   0.014)  ( -0.000,   0.020,   0.012)  ( 0.00,  0.01,  0.00)
183:     vdw     (  2.113,   0.148,  -0.250)  (  2.113,   0.148,  -0.250)  ( 0.00,  0.00,  0.00)
183:     electro (  0.850,  -1.532,   2.661)  (  0.850,  -1.532,   2.661)  ( 0.00,  0.00,  0.00)
183:  4       ( -0.053,  -0.027,   0.018)  ( -0.044,   0.028,   0.054)  ( 0.05,  0.15,  0.06)
183:     bond    (  1.797,  -0.285,   0.335)  (  1.804,  -0.284,   0.341)  ( 0.39,  0.05,  0.18)
183:     angle   ( -6.314,   1.453,  -2.828)  ( -6.313,   1.453,  -2.827)  ( 0.03,  0.02,  0.04)
183:     strbnd  (  0.607,  -1.012,   1.791)  (  0.607,  -1.012,   1.791)  ( 0.01,  0.01,  0.02)
183:     torsion (  0.002,   0.484,   0.279)  (  0.002,   0.484,   0.279)  ( 0.00,  0.02,  0.00)
183:     oop     (  0.001,  -0.313,  -0.179)  (  0.001,  -0.260,  -0.148)  ( 0.00,  1.66,  0.54)
183:     vdw     (  3.855,  -0.353,   0.619)  (  3.855,  -0.353,   0.619)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( -0.729,  -1.632,   2.845)  ( -0.727,  -1.654,   2.835)  ( 0.10,  1.35,  0.35)
183:     bond    ( -2.157,  -2.229,   3.948)  ( -2.156,  -2.228,   3.951)  ( 0.04,  0.04,  0.08)
183:     angle   ( -0.484,   0.182,  -0.161)  ( -0.483,   0.182,  -0.161)  ( 0.03,  0.00,  0.00)
183:     strbnd  (  0.577,   0.505,  -0.902)  (  0.577,   0.505,  -0.902)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.003,  -0.213,  -0.121)  ( -0.003,  -0.213,  -0.121)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.125,   0.071)  (  0.000,   0.102,   0.058)  ( 0.00,  0.29,  0.09)
183:     vdw     (  1.088,  -0.556,   0.972)  (  1.088,  -0.556,   0.972)  ( 0.00,  0.00,  0.00)
183:     electro (  0.249,   0.553,  -0.960)  (  0.249,   0.553,  -0.960)  ( 0.00,  0.00,  0.00)
183:  6       (  2.555,  -2.666,   4.624)  (  2.560,  -2.683,   4.614)  ( 0.20,  0.63,  0.20)
183:     bond    (  3.250,   0.122,  -0.167)  (  3.255,   0.122,  -0.167)  ( 0.15,  0.00,  0.00)
183:     angle   (  0.458,  -3.605,   6.307)  (  0.458,  -3.605,   6.308)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -0.266,  -0.042,   0.065)  ( -0.266,  -0.042,   0.065)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 29       ( -0.010,   0.009,   0.006)  ( -0.009,   0.011,   0.007)  ( 0.00,  0.00,  0.00)
182:     bond    ( -1.360,   1.906,  -0.984)  ( -1.359,   1.908,  -0.983)  ( 0.07,  0.10,  0.05)
182:     angle   ( -1.796,  -0.247,   2.003)  ( -1.796,  -0.247,   2.004)  ( 0.02,  0.01,  0.02)
182:     strbnd  (  0.022,  -0.940,   0.574)  (  0.022,  -0.940,   0.574)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.230,  -0.392,  -1.079)  (  0.230,  -0.392,  -1.079)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  2.893,  -0.319,  -0.508)  (  2.893,  -0.319,  -0.508)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 30       ( -0.034,  -0.020,   0.025)  ( -0.032,  -0.019,   0.027)  ( 0.01,  0.00,  0.00)
182:     bond    ( -1.739,  -1.521,   1.401)  ( -1.737,  -1.520,   1.402)  ( 0.08,  0.07,  0.07)
182:     angle   ( -1.608,   1.824,  -0.015)  ( -1.608,   1.824,  -0.015)  ( 0.02,  0.02,  0.00)
182:     strbnd  (  0.184,   0.874,  -0.682)  (  0.184,   0.874,  -0.682)  ( 0.00,  0.00,  0.00)
182:     torsion (  0.081,  -0.467,  -0.406)  (  0.081,  -0.467,  -0.406)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  3.048,  -0.731,  -0.273)  (  3.048,  -0.731,  -0.273)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: 31       (  0.009,  -0.001,   0.008)  (  0.010,   0.000,   0.009)  ( 0.00,  0.00,  0.00)
182:     bond    ( -0.898,  -0.437,  -0.824)  ( -0.896,  -0.436,  -0.823)  ( 0.15,  0.02,  0.11)
182:     angle   (  0.051,   0.059,  -0.088)  (  0.051,   0.060,  -0.088)  ( 0.00,  0.00,  0.00)
182:     strbnd  ( -0.056,   0.008,  -0.026)  ( -0.056,   0.008,  -0.026)  ( 0.00,  0.00,  0.00)
182:     torsion ( -0.032,  -0.088,   0.081)  ( -0.032,  -0.087,   0.081)  ( 0.00,  0.00,  0.00)
182:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182:     vdw     (  0.943,   0.456,   0.865)  (  0.943,   0.456,   0.865)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
182: ok 14 # gradients 
182: ok 15 # energy 
182: ----------------------------------------------------------------------------------------
182:                                                                                         
182:   VALIDATE GRADIENTS : vuwxug.xyz
182:                                                                                         
182:                                                                                         
182: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
182: ----------------------------------------------------------------------------------------
182:  1       (  3.869,   2.130,  -0.620)  (  3.613,   1.990,  -0.587)  ( 6.61,  6.59,  2.03)
182:     bond    (  4.935,  -9.109,  -1.104)  (  4.935,  -9.107,  -1.104)  ( 0.02,  0.03,  0.01)
182:     angle   ( -2.548,  -2.956,  12.992)  ( -2.548,  -2.956,  12.993)  ( 0.00,  0.00,  0.01)
182:     strbnd  (  3.655,  -7.443,   0.124)  (  3.655,  -7.443,   0.124)  ( 0.00,  0.00,  0.00)
182:     torsion (  4.665,   2.461,   0.552)  (  4.665,   2.461,   0.552)  ( 0.00,  0.00,  0.00)
182:     oop     (  1.651,   0.927,  -0.264)  (  1.394,   0.784,  -0.232)  (15.54, 13.24,  0.84)
182:     vdw     ( -2.138,   3.876,  -4.785)  ( -2.138,   3.876,  -4.785)  ( 0.00,  0.00,  0.00)
182:     electro ( -6.351,  14.374,  -8.135)  ( -6.351,  14.374,  -8.135)  ( 0.00,  0.00,  0.00)
182:  2       (  4.195,   1.244,  -0.194)  (  3.655,   1.086,  -0.159)  (12.86, 12.64,  0.68)
182:     bond    (  6.117, -25.834, -17.177)  (  6.117, -25.831, -17.166)  ( 0.01,  0.01,  0.06)
182:     angle   ( -9.069,  20.562,  11.811)  ( -9.068,  20.564,  11.813)  ( 0.00,  0.01,  0.02)
182:     strbnd  ( -0.570,   2.942,  11.231)  ( -0.570,   2.942,  11.229)  ( 0.00,  0.01,  0.02)
182:     torsion (  5.123,   1.707,  -0.094)  (  5.124,   1.707,  -0.094)  ( 0.01,  0.00,  0.00)
182:     oop     (  3.384,   0.966,  -0.184)  (  2.844,   0.804,  -0.160)  (15.97, 15.69,  0.44)
182:     vdw     ( -0.760,   1.774,  -1.397)  ( -0.760,   1.774,  -1.397)  ( 0.00,  0.00,  0.00)
182:     electro ( -0.031,  -0.874,  -4.384)  ( -0.031,  -0.874,  -4.384)  ( 0.00,  0.00,  0.00)
182:  3       (-13.485,  -5.099,   2.472)  (-12.579,  -4.741,   2.343)  ( 6.72,  7.01,  5.25)
182:     bond    ( -0.092,  -4.505,  20.203)  ( -0.091,  -4.501,  20.209)  ( 0.01,  0.11,  0.03)
182:     angle   ( 15.243, -23.754, -22.274)  ( 15.243, -23.753, -22.272)  ( 0.00,  0.01,  0.01)
182:     strbnd  ( -1.022,   1.368,   2.985)  ( -1.022,   1.367,   2.985)  ( 0.02,  0.04,  0.02)
182:     torsion (-13.583,  -4.422,   0.322)  (-13.582,  -4.422,   0.322)  ( 0.00,  0.00,  0.00)
182:     oop     ( -6.172,  -2.314,   1.085)  ( -5.268,  -1.962,   0.948)  (14.65, 15.20, 12.64)
182:     vdw     ( -1.549,   6.037,   1.007)  ( -1.549,   6.037,   1.007)  ( 0.00,  0.00,  0.00)
182:     electro ( -6.310,  22.492,  -0.857)  ( -6.310,  22.492,  -0.857)  ( 0.00,  0.00,  0.00)
182:  4       (  0.015,   0.009,  -0.021)  (  0.130,   0.041,  -0.020)  ( 0.18,  0.03,  0.00)
182:     bond    (  0.074,  -3.835, -13.494)  (  0.074,  -3.834, -13.485)  ( 0.00,  0.02,  0.06)
182:     angle   (  0.976,  -3.230,   0.924)  (  0.976,  -3.229,   0.924)  ( 0.00,  0.02,  0.01)
182:     strbnd  ( -0.552,   0.029,  -7.860)  ( -0.552,   0.029,  -7.860)  ( 0.00,  0.00,  0.00)
182:     torsion ( -1.551,  -0.406,   0.107)  ( -1.551,  -0.406,   0.107)  ( 0.01,  0.00,  0.00)
182:     oop     ( -0.503,  -0.135,   0.036)  ( -0.388,  -0.104,   0.028)  ( 5.79,  0.41,  0.03)
182:     vdw     (  0.515,   2.328,   5.755)  (  0.515,   2.328,   5.755)  ( 0.00,  0.01,  0.00)
182:     electro (  1.057,   5.257,  14.512)  (  1.057,   5.257,  14.512)  ( 0.00,  0.00,  0.00)
182:  5       (  5.402,   1.718,  -1.674)  (  5.102,   1.621,  -1.576)  ( 5.55,  5.65,  5.91)
182:     bond    (  0.018,   0.073,   0.129)  (  0.018,   0.074,   0.133)  ( 0.00,  0.01,  0.05)
182:     angle   ( -4.844,   9.643,  -4.711)  ( -4.844,   9.644,  -4.711)  ( 0.00,  0.01,  0.00)
182:     strbnd  ( -0.264,   0.055,   0.251)  ( -0.264,   0.055,   0.251)  ( 0.00,  0.00,  0.00)
182:     torsion (  4.479,   0.424,  -0.834)  (  4.479,   0.424,  -0.834)  ( 0.00,  0.00,  0.00)
182:     oop     (  2.303,   0.738,  -0.718)  (  2.003,   0.639,  -0.623)  (13.05,  7.29,  6.82)
182:     vdw     ( -0.672,   1.547,  -1.346)  ( -0.672,   1.547,  -1.346)  ( 0.00,  0.00,  0.00)
182:     electro (  4.382, -10.762,   5.553)  (  4.382, -10.762,   5.553)  ( 0.00,  0.00,  0.00)
182:  6       ( -4.199,  -1.254,   0.172)  ( -3.655,  -1.086,   0.159)  (12.96, 13.38,  0.22)
182:     bond    ( -6.118,  25.827,  17.156)  ( -6.117,  25.831,  17.166)  ( 0.01,  0.01,  0.06)
182:     angle   (  9.068, -20.566, -11.815)  (  9.068, -20.564, -11.813)  ( 0.00,  0.01,  0.02)
182:     strbnd  (  0.570,  -2.941, -11.227)  (  0.570,  -2.942, -11.229)  ( 0.00,  0.01,  0.02)
183:     torsion (  0.001,  -0.156,  -0.091)  (  0.001,  -0.156,  -0.091)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.001,   0.118,   0.067)  ( -0.001,   0.101,   0.058)  ( 0.00,  0.20,  0.07)
183:     vdw     ( -0.044,   0.008,  -0.015)  ( -0.044,   0.008,  -0.015)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.845,   0.890,  -1.543)  ( -0.845,   0.890,  -1.543)  ( 0.00,  0.00,  0.00)
183:  7       ( -0.050,  -0.182,   0.030)  ( -0.049,  -0.179,   0.030)  ( 0.00,  0.06,  0.00)
183:     bond    (  0.021,   0.069,  -0.002)  (  0.021,   0.073,  -0.002)  ( 0.00,  0.02,  0.00)
183:     angle   (  1.553,  -0.437,   0.860)  (  1.553,  -0.437,   0.860)  ( 0.03,  0.00,  0.04)
183:     strbnd  (  0.368,   0.645,  -0.047)  (  0.368,   0.645,  -0.047)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.015,   0.001,  -0.149)  ( -0.015,   0.001,  -0.149)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.977,  -0.460,  -0.633)  ( -1.977,  -0.460,  -0.633)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  8       ( -0.053,   0.067,   0.183)  ( -0.052,   0.068,   0.186)  ( 0.00,  0.01,  0.05)
183:     bond    (  0.017,  -0.029,  -0.055)  (  0.018,  -0.028,  -0.053)  ( 0.00,  0.00,  0.01)
183:     angle   (  1.567,  -0.533,   0.815)  (  1.568,  -0.532,   0.815)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.370,  -0.276,  -0.582)  (  0.370,  -0.276,  -0.582)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.016,   0.130,  -0.075)  ( -0.016,   0.130,  -0.075)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.992,   0.775,   0.081)  ( -1.992,   0.775,   0.081)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (  0.179,  -0.202,   0.342)  (  0.180,  -0.201,   0.344)  ( 0.02,  0.02,  0.08)
183:     bond    (  0.367,  -0.375,   0.641)  (  0.368,  -0.374,   0.643)  ( 0.02,  0.03,  0.13)
183:     angle   (  1.546,   0.380,  -0.664)  (  1.547,   0.380,  -0.664)  ( 0.03,  0.01,  0.01)
183:     strbnd  (  0.317,  -0.116,   0.199)  (  0.317,  -0.116,   0.199)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.006,   0.003)  ( -0.000,   0.006,   0.003)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.052,  -0.097,   0.162)  ( -2.052,  -0.097,   0.162)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 6 # gradients 
183: ok 7 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/COOCH3.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
181:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
181:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
181:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
181:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       (  5.704,  -0.249,   0.138)  (  5.704,  -0.244,   0.139)  ( 0.00,  0.13,  0.01)
181:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
181:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
181:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
181:     electro (  5.069,  -0.500,   1.387)  (  5.069,  -0.500,   1.387)  ( 0.00,  0.00,  0.00)
181: 65       ( -0.114,   0.570,  -0.149)  ( -0.109,   0.571,  -0.148)  ( 0.06,  0.02,  0.01)
181:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
181:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
181:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
181:     electro ( 17.799,   1.709,  -9.304)  ( 17.799,   1.709,  -9.304)  ( 0.00,  0.00,  0.00)
181: ok 14 # gradients 
181: ok 15 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
183:  1       (  2.140,  -0.166,   0.754)  (  2.145,  -0.160,   0.760)  ( 0.24,  0.10,  0.43)
183:     bond    ( -4.893,   2.856,  -3.005)  ( -4.889,   2.861,  -3.000)  ( 0.09,  0.16,  0.15)
183:     angle   (  1.859,  -4.639,   2.751)  (  1.861,  -4.637,   2.752)  ( 0.10,  0.04,  0.06)
183:     strbnd  (  0.352,  -0.450,   0.642)  (  0.351,  -0.450,   0.641)  ( 0.05,  0.03,  0.04)
183:     torsion ( -0.296,  -0.439,   0.009)  ( -0.296,  -0.439,   0.009)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.689,   2.322,   0.608)  (  5.689,   2.322,   0.608)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.570,   0.183,  -0.250)  ( -0.570,   0.183,  -0.250)  ( 0.00,  0.00,  0.00)
183:  2       ( -0.776,  -0.622,  -0.218)  ( -0.780,  -0.606,  -0.189)  ( 0.23,  0.97,  0.62)
183:     bond    (  7.306,  -2.470,   3.157)  (  7.312,  -2.468,   3.158)  ( 0.07,  0.08,  0.02)
183:     angle   (  2.892,   8.647,  -4.003)  (  2.893,   8.648,  -4.002)  ( 0.01,  0.02,  0.01)
183:     strbnd  (-10.808,  -7.207,  -0.152)  (-10.809,  -7.207,  -0.152)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.221,   0.486,   0.955)  ( -0.221,   0.486,   0.955)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.054,  -0.078,  -0.175)  (  0.045,  -0.066,  -0.147)  ( 0.04,  0.09,  0.48)
183:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       (  0.077,  -0.215,  -0.263)  (  0.077,  -0.212,  -0.263)  ( 0.01,  0.07,  0.02)
183:     bond    (  0.045,   0.977,   0.187)  (  0.045,   0.980,   0.187)  ( 0.00,  0.32,  0.00)
183:     angle   ( -5.704,   0.511,  -1.299)  ( -5.703,   0.511,  -1.299)  ( 0.01,  0.00,  0.04)
183:     strbnd  ( -0.435,   0.449,  -0.226)  ( -0.435,   0.449,  -0.226)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.156,  -0.037,   0.231)  ( -0.156,  -0.037,   0.231)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.326,  -2.115,   0.844)  (  6.326,  -2.115,   0.844)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       ( -0.154,  -0.035,   0.283)  ( -0.151,  -0.034,   0.284)  ( 0.04,  0.00,  0.03)
183:     bond    ( -0.518,  -0.212,   0.225)  ( -0.515,  -0.211,   0.226)  ( 0.13,  0.01,  0.01)
183:     angle   (  0.309,  -0.045,   0.666)  (  0.310,  -0.044,   0.666)  ( 0.01,  0.00,  0.03)
183:     strbnd  ( -0.108,   0.417,  -0.398)  ( -0.108,   0.418,  -0.398)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.012,  -0.211,  -0.225)  ( -0.012,  -0.211,  -0.225)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.175,   0.014,   0.016)  (  0.175,   0.014,   0.016)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( -0.220,  -0.180,  -0.107)  ( -0.219,  -0.179,  -0.104)  ( 0.01,  0.01,  0.04)
183:     bond    (  0.005,  -0.076,  -0.456)  (  0.005,  -0.076,  -0.453)  ( 0.00,  0.00,  0.15)
183:     angle   ( -1.188,  -0.996,   0.154)  ( -1.187,  -0.996,   0.154)  ( 0.05,  0.05,  0.00)
183:     strbnd  ( -0.441,   0.249,  -0.473)  ( -0.441,   0.249,  -0.473)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.429,   0.568,  -0.091)  (  0.429,   0.568,  -0.091)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.975,   0.076,   0.758)  (  0.975,   0.076,   0.758)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  6       (  0.815,   1.141,  -0.215)  (  0.856,   1.101,  -0.316)  ( 3.35,  3.49,  2.17)
183:     bond    ( -0.770,  -0.798,   0.110)  ( -0.761,  -0.793,   0.112)  ( 0.74,  0.41,  0.02)
183:     angle   ( -6.533,  -4.058,  -0.587)  ( -6.531,  -4.056,  -0.587)  ( 0.02,  0.05,  0.02)
183:     strbnd  ( 13.048,   4.199,   2.149)  ( 13.046,   4.199,   2.149)  ( 0.02,  0.01,  0.01)
183:     torsion (  0.259,  -0.370,  -0.890)  (  0.259,  -0.370,  -0.889)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.183,   0.268,   0.599)  ( -0.151,   0.221,   0.495)  ( 0.59,  1.25,  6.20)
183:     vdw     ( -5.005,   1.900,  -1.595)  ( -5.005,   1.900,  -1.595)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  7       ( -2.349,   0.240,  -0.842)  ( -2.356,   0.262,  -0.794)  ( 0.32,  0.54,  4.02)
183:     bond    ( -1.232,   0.565,  -0.626)  ( -1.226,   0.566,  -0.625)  ( 0.52,  0.08,  0.10)
183:     angle   ( -0.414,  -0.699,   0.179)  ( -0.414,  -0.698,   0.179)  ( 0.01,  0.04,  0.00)
183:     strbnd  ( -1.351,   0.487,  -0.628)  ( -1.351,   0.487,  -0.628)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.063,   0.092,   0.208)  ( -0.063,   0.092,   0.208)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.065,  -0.095,  -0.213)  (  0.051,  -0.074,  -0.167)  ( 0.09,  0.19,  0.98)
183:     vdw     ( -0.079,   0.007,  -0.027)  ( -0.079,   0.007,  -0.027)  ( 0.00,  0.00,  0.00)
183:     electro (  0.727,  -0.117,   0.266)  (  0.727,  -0.117,   0.266)  ( 0.00,  0.00,  0.00)
183:  8       (  0.435,  -0.189,   0.589)  (  0.427,  -0.172,   0.621)  ( 0.38,  0.32,  1.92)
183:     bond    (  0.028,  -0.862,   0.394)  (  0.028,  -0.860,   0.395)  ( 0.00,  0.24,  0.02)
183:     angle   (  8.772,   1.272,   2.136)  (  8.772,   1.272,   2.136)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.253,   1.856,  -0.912)  ( -0.253,   1.856,  -0.912)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.061,  -0.089,  -0.197)  (  0.061,  -0.089,  -0.197)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.065,  -0.096,  -0.213)  (  0.055,  -0.081,  -0.181)  ( 0.06,  0.14,  0.68)
183:     vdw     ( -8.081,  -2.204,  -0.604)  ( -8.081,  -2.204,  -0.604)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.157,  -0.066,  -0.016)  ( -0.157,  -0.066,  -0.016)  ( 0.00,  0.00,  0.00)
183: ok 8 # gradients 
183: ok 9 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/NCH3-3.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       (  6.021,  -8.841,  15.336)  (  6.025,  -8.837,  15.339)  ( 0.07,  0.04,  0.02)
183:     bond    ( 13.697, -19.381,  33.622)  ( 13.700, -19.379,  33.624)  ( 0.02,  0.02,  0.01)
183:     angle   ( -4.188,   5.759,  -9.944)  ( -4.187,   5.761,  -9.942)  ( 0.03,  0.02,  0.02)
183:     strbnd  ( -3.294,   4.646,  -8.104)  ( -3.295,   4.645,  -8.105)  ( 0.02,  0.01,  0.01)
183:     torsion ( -0.194,   0.135,  -0.238)  ( -0.194,   0.135,  -0.238)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  2       ( -9.933,  -2.704,   4.639)  ( -9.929,  -2.699,   4.644)  ( 0.04,  0.19,  0.11)
183:     bond    (-13.151,   0.001,   0.002)  (-13.148,   0.005,   0.006)  ( 0.03,  0.00,  0.00)
183:     angle   ( -5.431,  -2.186,   3.739)  ( -5.429,  -2.184,   3.741)  ( 0.03,  0.08,  0.04)
183:     strbnd  (  4.098,  -2.031,   3.530)  (  4.097,  -2.031,   3.529)  ( 0.04,  0.02,  0.01)
183:     torsion ( -0.000,   0.166,  -0.285)  (  0.000,   0.166,  -0.285)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       (  3.813,   8.396,   5.795)  (  3.819,   8.400,   5.800)  ( 0.14,  0.05,  0.09)
183:     bond    (  4.362,  12.392,  -0.017)  (  4.366,  12.395,  -0.013)  ( 0.09,  0.03,  0.01)
183:     angle   (  3.888,   4.351,   3.744)  (  3.890,   4.353,   3.746)  ( 0.05,  0.04,  0.04)
183:     strbnd  (  0.568,  -4.531,   3.529)  (  0.568,  -4.532,   3.529)  ( 0.03,  0.03,  0.01)
183:     torsion (  0.479,  -0.170,   0.882)  (  0.479,  -0.170,   0.882)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       (  3.726,  -9.185,  -4.409)  (  3.731,  -9.180,  -4.405)  ( 0.14,  0.05,  0.09)
183:     bond    (  4.377,  -6.197, -10.754)  (  4.381,  -6.194, -10.751)  ( 0.09,  0.06,  0.03)
183:     angle   (  3.836,  -5.397,  -1.958)  (  3.837,  -5.396,  -1.956)  ( 0.05,  0.03,  0.09)
183:     strbnd  (  0.555,  -0.774,   5.727)  (  0.555,  -0.774,   5.725)  ( 0.03,  0.04,  0.02)
183:     torsion (  0.478,  -0.675,   0.585)  (  0.478,  -0.675,   0.585)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( -2.313,  28.066,   0.105)  ( -2.312,  28.068,   0.106)  ( 0.04,  0.01,  0.01)
183:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
183:     angle   (  1.760,   0.623,  -0.007)  (  1.760,   0.623,  -0.006)  ( 0.03,  0.00,  0.00)
183:     strbnd  ( -1.908,  -0.349,   0.000)  ( -1.908,  -0.349,   0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,   0.152)  (  0.000,   0.000,   0.152)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  6       ( -9.233, -13.275,  23.034)  ( -9.232, -13.274,  23.036)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
183:     angle   (  1.828,  -0.303,   0.571)  (  1.829,  -0.302,   0.572)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -1.910,   0.171,  -0.295)  ( -1.910,   0.171,  -0.295)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  7       ( -2.162, -14.129, -24.316)  ( -2.161, -14.129, -24.314)  ( 0.04,  0.01,  0.01)
183:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
183:     angle   (  1.840,  -0.299,  -0.578)  (  1.840,  -0.299,  -0.578)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -1.909,   0.172,   0.297)  ( -1.909,   0.172,   0.297)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.133,   0.077)  (  0.000,  -0.133,   0.077)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  8       ( 27.568,  -1.841,  -1.569)  ( 27.570,  -1.840,  -1.569)  ( 0.01,  0.04,  0.04)
183:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   ( -0.000,  -1.856,  -0.010)  (  0.000,  -1.856,  -0.009)  ( 0.00,  0.03,  0.00)
183:     strbnd  (  0.304,   1.915,  -0.000)  (  0.304,   1.915,  -0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.469)  (  0.000,   0.000,  -0.469)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (-11.584,  11.851,  21.981)  (-11.583,  11.852,  21.983)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
183:     angle   ( -0.885,  -1.619,   0.574)  ( -0.885,  -1.619,   0.574)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.798,   1.743,  -0.296)  (  0.798,   1.743,  -0.296)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.382,   0.135,  -0.234)  ( -0.382,   0.135,  -0.234)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 10       (-10.930,   9.420, -22.678)  (-10.929,   9.421, -22.676)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
183:     angle   ( -0.882,  -1.631,  -0.581)  ( -0.882,  -1.630,  -0.581)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.799,   1.742,   0.299)  (  0.799,   1.742,   0.299)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,  -0.000,  -0.001)  (  0.001,  -0.000,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 11       ( 27.570,   2.262,   0.809)  ( 27.573,   2.263,   0.809)  ( 0.01,  0.03,  0.05)
183:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
183:     angle   (  0.001,   0.926,   1.618)  (  0.001,   0.926,   1.618)  ( 0.00,  0.04,  0.03)
183:     strbnd  (  0.305,  -0.958,  -1.660)  (  0.305,  -0.958,  -1.660)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.407,  -0.235)  ( -0.000,   0.407,  -0.235)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 12       (-10.972,  14.917, -19.519)  (-10.971,  14.918, -19.517)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
183:     angle   ( -0.889,   1.308,   1.118)  ( -0.889,   1.309,   1.119)  ( 0.03,  0.03,  0.02)
183:     strbnd  (  0.798,  -1.129,  -1.364)  (  0.798,  -1.129,  -1.364)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       (-11.601, -24.965,   0.763)  (-11.600, -24.963,   0.763)  ( 0.01,  0.01,  0.05)
183:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
183:     angle   ( -0.888,   0.315,   1.704)  ( -0.887,   0.315,   1.705)  ( 0.03,  0.00,  0.03)
183:     strbnd  (  0.799,  -0.614,  -1.659)  (  0.799,  -0.614,  -1.659)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.381,   0.135,  -0.233)  ( -0.381,   0.135,  -0.233)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 10 # gradients 
183: ok 11 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/PCH3-3.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
179:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
179:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
179:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
179:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
179:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
179:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
182:     torsion ( -5.124,  -1.707,   0.094)  ( -5.124,  -1.707,   0.094)  ( 0.01,  0.00,  0.00)
182:     oop     ( -3.387,  -0.966,   0.184)  ( -2.844,  -0.804,   0.160)  (16.04, 15.71,  0.44)
182:     vdw     (  0.760,  -1.774,   1.397)  (  0.760,  -1.774,   1.397)  ( 0.00,  0.00,  0.00)
182:     electro (  0.031,   0.874,   4.384)  (  0.031,   0.874,   4.384)  ( 0.00,  0.00,  0.00)
182:  7       ( 13.481,   5.087,  -2.487)  ( 12.579,   4.741,  -2.343)  ( 6.69,  6.79,  5.82)
182:     bond    (  0.090,   4.496, -20.215)  (  0.091,   4.501, -20.209)  ( 0.01,  0.11,  0.03)
182:     angle   (-15.244,  23.751,  22.270)  (-15.243,  23.753,  22.272)  ( 0.00,  0.01,  0.01)
182:     strbnd  (  1.022,  -1.367,  -2.985)  (  1.022,  -1.367,  -2.985)  ( 0.02,  0.04,  0.02)
182:     torsion ( 13.582,   4.422,  -0.322)  ( 13.582,   4.422,  -0.322)  ( 0.00,  0.00,  0.00)
182:     oop     (  6.172,   2.314,  -1.085)  (  5.268,   1.962,  -0.948)  (14.64, 15.20, 12.65)
182:     vdw     (  1.549,  -6.037,  -1.007)  (  1.549,  -6.037,  -1.007)  ( 0.00,  0.00,  0.00)
182:     electro (  6.310, -22.492,   0.857)  (  6.310, -22.492,   0.857)  ( 0.00,  0.00,  0.00)
182:  8       ( -0.016,  -0.012,   0.004)  ( -0.130,  -0.041,   0.020)  ( 0.18,  0.04,  0.01)
182:     bond    ( -0.074,   3.834,  13.477)  ( -0.074,   3.834,  13.485)  ( 0.00,  0.02,  0.06)
182:     angle   ( -0.976,   3.229,  -0.924)  ( -0.976,   3.229,  -0.924)  ( 0.00,  0.02,  0.01)
182:     strbnd  (  0.552,  -0.030,   7.860)  (  0.552,  -0.029,   7.860)  ( 0.00,  0.00,  0.00)
182:     torsion (  1.551,   0.406,  -0.107)  (  1.551,   0.406,  -0.107)  ( 0.01,  0.00,  0.00)
182:     oop     (  0.503,   0.135,  -0.036)  (  0.388,   0.104,  -0.028)  ( 5.76,  0.41,  0.03)
182:     vdw     ( -0.515,  -2.328,  -5.755)  ( -0.515,  -2.328,  -5.755)  ( 0.00,  0.01,  0.00)
182:     electro ( -1.057,  -5.257, -14.512)  ( -1.057,  -5.257, -14.512)  ( 0.00,  0.00,  0.00)
182:  9       ( -3.870,  -2.135,   0.618)  ( -3.613,  -1.990,   0.587)  ( 6.65,  6.81,  1.92)
182:     bond    ( -4.936,   9.104,   1.104)  ( -4.935,   9.107,   1.104)  ( 0.02,  0.03,  0.01)
182:     angle   (  2.548,   2.956, -12.993)  (  2.548,   2.956, -12.993)  ( 0.00,  0.00,  0.01)
182:     strbnd  ( -3.655,   7.442,  -0.124)  ( -3.655,   7.443,  -0.124)  ( 0.00,  0.00,  0.00)
182:     torsion ( -4.666,  -2.462,  -0.552)  ( -4.665,  -2.461,  -0.552)  ( 0.00,  0.00,  0.00)
182:     oop     ( -1.651,  -0.927,   0.264)  ( -1.394,  -0.784,   0.232)  (15.54, 13.24,  0.84)
182:     vdw     (  2.138,  -3.876,   4.785)  (  2.138,  -3.876,   4.785)  ( 0.00,  0.00,  0.00)
182:     electro (  6.351, -14.374,   8.135)  (  6.351, -14.374,   8.135)  ( 0.00,  0.00,  0.00)
182: 10       ( -5.402,  -1.721,   1.667)  ( -5.102,  -1.621,   1.576)  ( 5.57,  5.84,  5.47)
182:     bond    ( -0.018,  -0.075,  -0.136)  ( -0.018,  -0.074,  -0.133)  ( 0.00,  0.01,  0.05)
182:     angle   (  4.844,  -9.644,   4.710)  (  4.844,  -9.644,   4.711)  ( 0.00,  0.01,  0.00)
182:     strbnd  (  0.264,  -0.055,  -0.251)  (  0.264,  -0.055,  -0.251)  ( 0.00,  0.00,  0.00)
182:     torsion ( -4.480,  -0.424,   0.834)  ( -4.479,  -0.424,   0.834)  ( 0.00,  0.00,  0.00)
182:     oop     ( -2.303,  -0.738,   0.718)  ( -2.003,  -0.639,   0.623)  (13.05,  7.29,  6.82)
182:     vdw     (  0.672,  -1.547,   1.346)  (  0.672,  -1.547,   1.346)  ( 0.00,  0.00,  0.00)
182:     electro ( -4.382,  10.762,  -5.553)  ( -4.382,  10.762,  -5.553)  ( 0.00,  0.00,  0.00)
182: ok 16 # gradients 
180/229 Test #182: test_ffmmff94_4 ..................   Passed   19.72 sec
test 184
        Start 184: test_ffmmff94_6

184: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffmmff94" "6"
184: Environment variables: 
184:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
184:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
184: Test timeout computed to be: 1500
184: # Testing MMFF94 Force Field...
184: ==============================
184: *** Open Babel Error  in SafeOpen
184:   Unable to open file '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/more-mmff94e4sresults.txt' in read mode
184: Bail out! Cannot read file /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/files/more-mmff94e4sresults.txt
181/229 Test #184: test_ffmmff94_6 ..................   Passed    0.10 sec
test 185
        Start 185: test_ffuff_1

185: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ffuff" "1"
185: Environment variables: 
185:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
185:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
185: Test timeout computed to be: 1500
185: # Testing UFF Force Field...
181:  1       ( -1.689,  29.086,  12.210)  ( -1.711,  29.002,  12.363)  ( 1.27,  0.29,  1.25)
181:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
181:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
181:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
181:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
181:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
181:     electro (  0.071,   0.878,   0.403)  (  0.071,   0.878,   0.403)  ( 0.00,  0.00,  0.00)
181:  2       (-43.130,  -3.367,  -5.439)  (-43.097,  -3.287,  -5.559)  ( 0.08,  2.36,  2.20)
181:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
181:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
181:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
181:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
181:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
181:     electro (  0.292,  -0.546,  -0.454)  (  0.292,  -0.546,  -0.454)  ( 0.00,  0.00,  0.00)
181:  3       ( 26.796,  24.803,  13.755)  ( 26.767,  24.702,  13.933)  ( 0.11,  0.40,  1.30)
181:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
181:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
181:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
181:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
181:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
181:     electro (  0.358,  -0.916,  -1.176)  (  0.358,  -0.916,  -1.176)  ( 0.00,  0.00,  0.00)
181:  4       ( 30.208,   3.073,   6.213)  ( 30.219,   3.104,   6.463)  ( 0.04,  1.02,  4.03)
181:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
181:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
181:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
181:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
181:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
181:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.191,   0.327,  -0.117)  ( -0.191,   0.327,  -0.117)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.948, -76.115, -41.479)  ( -7.959, -76.157, -41.393)  ( 0.13,  0.05,  0.21)
181:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
181:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
181:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
181:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
181:     electro (  0.014,  -0.198,  -0.115)  (  0.014,  -0.198,  -0.115)  ( 0.00,  0.00,  0.00)
181:  6       (-30.115,  -5.188,  10.096)  (-30.111,  -5.194,   9.573)  ( 0.01,  0.12,  5.18)
181:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
181:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
181:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
185: ok 1 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
185:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
185:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
185:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
185:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
185:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
185:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
185:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
185:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
185:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
185:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
185:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
185:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
185:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
185:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
185:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
185:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
185:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
185:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
185:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
185:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
185:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
185:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
185:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
185:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
185:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
185:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
185:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
185:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
185:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
185:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
185:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
185:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
185:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
185:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
185:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
185:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
185:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
185:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
185:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
185:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
185:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
185:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
185:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
185:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
185:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
185:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
185:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
185:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
185:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
185:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
185:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
185:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
185:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
185:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
185:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
185:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
185:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
185:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
185:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
185:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
185:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
185:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
185:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
185:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
185:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
185:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
185:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
185:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
185:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
185:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
185:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
185:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
185:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
185:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
185:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
185:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
185:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
185:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
185:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
185:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
185:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
185:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
185:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
185:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
185:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
185:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
185:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
185:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
181:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
181:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
181:     electro (  0.213,  -0.266,  -0.210)  (  0.213,  -0.266,  -0.210)  ( 0.00,  0.00,  0.00)
181:  7       ( 12.679,  86.994, -19.032)  ( 12.700,  86.952, -19.301)  ( 0.17,  0.05,  1.42)
181:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
181:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
181:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
181:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.002,   0.227,  -0.017)  ( -0.002,   0.227,  -0.017)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.374, -32.479,   6.496)  ( -0.364, -32.472,   6.450)  ( 0.39,  0.02,  0.71)
181:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
181:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
181:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
181:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
181:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.111,  -0.968,  -0.025)  ( -0.111,  -0.968,  -0.025)  ( 0.00,  0.00,  0.00)
181:  9       ( 44.803,   3.914,   2.819)  ( 44.806,   3.913,   2.731)  ( 0.01,  0.03,  3.12)
181:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
181:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
181:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
181:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
181:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.238,   0.703,  -0.227)  ( -0.238,   0.703,  -0.227)  ( 0.00,  0.00,  0.00)
181: 10       (-30.928, -25.769,  -2.929)  (-30.914, -25.703,  -2.397)  ( 0.04,  0.25, 18.16)
181:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
181:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
181:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
181:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.206,   1.335,  -0.734)  ( -0.206,   1.335,  -0.734)  ( 0.00,  0.00,  0.00)
181: 11       (-26.673, -22.301,   4.179)  (-26.670, -22.313,   4.011)  ( 0.01,  0.05,  4.01)
181:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
181:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
181:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
181:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
181:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.008,  -0.365,   0.812)  ( -0.008,  -0.365,   0.812)  ( 0.00,  0.00,  0.00)
181: 12       ( -2.353,   3.616,  -2.204)  ( -2.349,   3.623,  -2.134)  ( 0.16,  0.19,  3.21)
185:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
185:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
185:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
185:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
185:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
185:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
185:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
185:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
185:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
185:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
185:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
185:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
185:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
185:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
185:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
185:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
185:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
185:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
185:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
185:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
185:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
185:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
185:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
185:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
185:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
185:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
185:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
185:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
185:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
185:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
185:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
185:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
185:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
185:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
185:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
185:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
185:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
185:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
185:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
185:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
185:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
185:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
185:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
185:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
185:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
185:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
185:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
185:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
185:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
185:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
185:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
185:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
185:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
185:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
185:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
185:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
185:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
185:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
185:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
185:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
185:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
185:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
185:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
185:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
185:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
185:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
185:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
185:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
185:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
185:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
185:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
185:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
185:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
185:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
185:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 2 # gradients 
185: ok 3 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (  1.733,  15.535,  -2.708)  (  1.768,  15.569,  -2.688)  ( 2.02,  0.22,  0.73)
185:     bond    ( 36.601,  -0.298,   9.660)  ( 36.629,  -0.276,   9.662)  ( 0.08,  0.65,  0.02)
185:     angle   (-34.951,  16.312,  -8.707)  (-34.945,  16.324,  -8.707)  ( 0.02,  0.07,  0.00)
185:     torsion (  0.899,   0.109,  -3.428)  (  0.900,   0.109,  -3.411)  ( 0.10,  0.00,  0.49)
185:     oop     ( -0.001,  -0.000,   0.001)  ( -0.000,  -0.000,   0.002)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.816,  -0.587,  -0.234)  ( -0.816,  -0.587,  -0.234)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (151.770, -56.591, -673.348)  (153.483, -56.550, -652.718)  ( 1.13,  0.07,  3.06)
185:     bond    (-73.273, -40.784, -20.641)  (-73.245, -40.761, -20.639)  ( 0.04,  0.06,  0.01)
185:     angle   ( 49.771, -31.536,  12.075)  ( 49.779, -31.523,  12.077)  ( 0.02,  0.04,  0.02)
185:     torsion (175.271,  15.729, -664.778)  (176.947,  15.734, -644.154)  ( 0.96,  0.03,  3.10)
185:     oop     (  0.001,   0.000,  -0.004)  (  0.001,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 11.806,  -5.798,   2.973)  ( 11.813,  -5.787,   2.977)  ( 0.06,  0.19,  0.14)
185:     bond    (  2.228,   3.391,   0.698)  (  2.233,   3.401,   0.698)  ( 0.20,  0.30,  0.03)
185:     angle   ( 13.563,  -9.579,   3.275)  ( 13.565,  -9.578,   3.275)  ( 0.02,  0.01,  0.00)
185:     torsion ( -0.011,  -0.001,   0.038)  ( -0.011,  -0.001,   0.041)  ( 0.00,  0.00,  0.01)
185:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.974,   0.392,  -1.037)  ( -3.974,   0.392,  -1.037)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 14.242,   5.943,   3.893)  ( 14.248,   5.955,   3.897)  ( 0.04,  0.21,  0.10)
185:     bond    (  3.136,  -6.002,   0.637)  (  3.139,  -5.991,   0.637)  ( 0.10,  0.19,  0.01)
185:     angle   ( 22.453,  12.440,   6.327)  ( 22.455,  12.441,   6.327)  ( 0.01,  0.01,  0.00)
185:     torsion (  0.013,   0.002,  -0.055)  (  0.014,   0.002,  -0.052)  ( 0.00,  0.00,  0.02)
185:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-11.361,  -0.496,  -3.015)  (-11.361,  -0.496,  -3.015)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-17.209, -11.517,  -0.591)  (-17.203, -11.504,  -0.586)  ( 0.04,  0.11,  0.32)
185:     bond    (  0.266,  -0.558,   0.053)  (  0.269,  -0.546,   0.054)  ( 0.08,  0.66,  0.00)
185:     angle   (-20.390, -10.603,  -5.721)  (-20.387, -10.602,  -5.720)  ( 0.01,  0.01,  0.00)
185:     torsion ( -1.066,  -0.129,   4.031)  ( -1.065,  -0.129,   4.036)  ( 0.03,  0.00,  0.13)
185:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.981,  -0.227,   1.044)  (  3.981,  -0.227,   1.044)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-372.179,  47.701, 1341.442)  (-363.825,  47.767, 1443.549)  ( 2.24,  0.14,  7.61)
185:     bond    ( 44.275,  62.791,  13.700)  ( 44.295,  62.831,  13.702)  ( 0.04,  0.06,  0.01)
185:     angle   (-26.067,  19.537,  -6.133)  (-26.059,  19.542,  -6.123)  ( 0.03,  0.02,  0.15)
185:     torsion (-401.951, -35.014, 1330.809)  (-393.626, -34.991, 1432.904)  ( 2.07,  0.07,  7.67)
185:     oop     ( -0.000,  -0.000,   0.001)  ( -0.000,  -0.000,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.565,   0.386,   3.065)  ( 11.565,   0.386,   3.065)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (197.185,   4.513, -825.382)  (199.717,   4.550, -794.431)  ( 1.28,  0.80,  3.75)
185:     bond    (-13.334, -18.685,  -4.116)  (-13.320, -18.657,  -4.115)  ( 0.11,  0.15,  0.04)
185:     angle   ( -4.410,   3.395,  -1.131)  ( -4.408,   3.396,  -1.128)  ( 0.04,  0.03,  0.25)
185:     torsion (214.325,  19.270, -820.312)  (216.841,  19.277, -789.365)  ( 1.17,  0.04,  3.77)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.604,   0.534,   0.177)  (  0.604,   0.534,   0.177)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 4 # gradients 
185: ok 5 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       ( 40.034,  81.741, -137.730)  ( 40.064,  81.759, -137.705)  ( 0.07,  0.02,  0.02)
185:     bond    ( 80.618,   6.003, -10.147)  ( 80.638,   6.021, -10.129)  ( 0.02,  0.30,  0.18)
185:     angle   (-26.047,  65.441, -112.824)  (-26.038,  65.449, -112.813)  ( 0.04,  0.01,  0.01)
185:     torsion ( -0.314,   2.650,  -1.502)  ( -0.314,   2.652,  -1.500)  ( 0.00,  0.10,  0.13)
185:     oop     ( -0.000,   0.071,   0.042)  ( -0.000,   0.060,   0.035)  ( 0.00,  0.08,  0.03)
185:     vdw     (-14.222,   7.576, -13.299)  (-14.222,   7.576, -13.299)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-77.104, -139.691, 232.139)  (-77.049, -139.571, 232.243)  ( 0.07,  0.09,  0.04)
185:     bond    ( 24.274, -26.329,  45.326)  ( 24.304, -26.317,  45.362)  ( 0.12,  0.05,  0.08)
185:     angle   (-101.417, -109.290, 188.550)  (-101.392, -109.285, 188.561)  ( 0.02,  0.00,  0.01)
185:     torsion (  0.039,  -3.547,  -1.434)  (  0.039,  -3.539,  -1.431)  ( 0.00,  0.23,  0.20)
185:     oop     ( -0.000,  -0.525,  -0.303)  ( -0.000,  -0.430,  -0.249)  ( 0.00,  5.00,  1.64)
185:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-31.877,  -2.025,   1.109)  (-31.862,  -2.034,   1.121)  ( 0.05,  0.45,  1.05)
185:     bond    (-14.354, -14.094,  24.209)  (-14.347, -14.088,  24.229)  ( 0.05,  0.05,  0.08)
185:     angle   (-20.650,   5.239,  -9.179)  (-20.642,   5.239,  -9.177)  ( 0.04,  0.01,  0.02)
185:     torsion (  0.001,  -1.001,  -0.581)  (  0.001,  -0.999,  -0.580)  ( 0.00,  0.22,  0.04)
185:     oop     ( -0.000,   0.093,   0.054)  ( -0.000,   0.075,   0.043)  ( 0.00,  0.17,  0.06)
185:     vdw     (  3.126,   7.739, -13.395)  (  3.126,   7.739, -13.395)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 95.636, 128.805, -196.780)  ( 95.687, 128.644, -196.844)  ( 0.05,  0.13,  0.03)
185:     bond    (-89.693,  75.277, -132.994)  (-89.659,  75.286, -132.965)  ( 0.04,  0.01,  0.02)
185:     angle   (173.432,  42.177, -72.645)  (173.448,  42.180, -72.637)  ( 0.01,  0.01,  0.01)
185:     torsion (  0.082,  11.261,   6.468)  (  0.082,  11.270,   6.471)  ( 0.00,  0.08,  0.05)
185:     oop     ( -0.002,   1.098,   0.628)  ( -0.002,   0.916,   0.524)  ( 0.00, 16.58,  6.55)
185:     vdw     ( 11.817,  -1.008,   1.764)  ( 11.817,  -1.008,   1.764)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-61.047, -45.589,  66.224)  (-61.039, -45.512,  66.279)  ( 0.01,  0.17,  0.08)
185:     bond    (-38.907, -40.200,  71.261)  (-38.903, -40.195,  71.275)  ( 0.01,  0.01,  0.02)
185:     angle   (-37.911,   9.172, -15.518)  (-37.907,   9.172, -15.518)  ( 0.01,  0.00,  0.00)
185:     torsion ( -0.075,  -6.078,  -3.468)  ( -0.075,  -6.075,  -3.467)  ( 0.00,  0.04,  0.02)
185:     oop     ( -0.001,  -0.383,  -0.216)  ( -0.000,  -0.313,  -0.177)  ( 0.00,  2.70,  0.86)
185:     vdw     ( 15.846,  -8.100,  14.165)  ( 15.846,  -8.100,  14.166)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 90.579, -16.110,  22.603)  ( 90.602, -16.055,  22.637)  ( 0.03,  0.34,  0.15)
185:     bond    ( 82.156,   3.085,  -4.208)  ( 82.179,   3.085,  -4.208)  ( 0.03,  0.01,  0.01)
185:     angle   (  1.185,  -9.564,  16.125)  (  1.185,  -9.562,  16.129)  ( 0.00,  0.01,  0.02)
185:     torsion (  0.017,  -2.241,  -1.310)  (  0.017,  -2.239,  -1.309)  ( 0.00,  0.08,  0.05)
185:     oop     (  0.003,  -0.360,  -0.206)  (  0.003,  -0.308,  -0.176)  ( 0.00,  1.90,  0.62)
185:     vdw     (  7.218,  -7.031,  12.201)  (  7.218,  -7.031,  12.201)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-15.415, -45.825,   3.849)  (-15.412, -45.812,   3.852)  ( 0.02,  0.03,  0.06)
185:     bond    (-12.697, -43.343,   0.901)  (-12.696, -43.331,   0.901)  ( 0.01,  0.03,  0.02)
185:     angle   (  3.867,  -1.050,   4.033)  (  3.869,  -1.050,   4.035)  ( 0.07,  0.02,  0.05)
185:     torsion (  0.147,  -0.013,   1.444)  (  0.147,  -0.013,   1.445)  ( 0.00,  0.00,  0.05)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.732,  -1.418,  -2.528)  ( -6.732,  -1.418,  -2.528)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-15.654,  19.646,  41.522)  (-15.650,  19.651,  41.533)  ( 0.02,  0.02,  0.03)
185:     bond    (-12.853,  20.568,  38.148)  (-12.852,  20.570,  38.158)  ( 0.01,  0.01,  0.03)
185:     angle   (  3.943,  -2.997,   2.943)  (  3.946,  -2.995,   2.944)  ( 0.06,  0.05,  0.02)
185:     torsion (  0.102,  -0.850,   0.492)  (  0.102,  -0.850,   0.492)  ( 0.00,  0.04,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.846,   2.925,  -0.061)  ( -6.846,   2.925,  -0.061)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-25.346,  18.925, -33.125)  (-25.341,  18.930, -33.115)  ( 0.02,  0.03,  0.03)
185:     bond    (-18.667,  18.966, -32.631)  (-18.664,  18.968, -32.623)  ( 0.01,  0.01,  0.03)
185:     angle   (  3.528,   0.851,  -1.525)  (  3.530,   0.852,  -1.524)  ( 0.06,  0.14,  0.06)
185:     torsion (  0.000,  -0.208,  -0.121)  (  0.000,  -0.208,  -0.121)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.207,  -0.683,   1.153)  (-10.207,  -0.683,   1.153)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 6 # gradients 
185: ok 7 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-124.901, 251.533, -128.003)  (-124.865, 251.566, -127.974)  ( 0.03,  0.01,  0.02)
185:     bond    (-241.892, 155.872, -136.876)  (-241.868, 155.893, -136.855)  ( 0.01,  0.01,  0.02)
185:     angle   ( 70.553,  74.197,  -4.267)  ( 70.564,  74.208,  -4.258)  ( 0.02,  0.02,  0.22)
185:     torsion ( -4.351,   0.235,   7.936)  ( -4.351,   0.234,   7.936)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 50.789,  21.230,   5.204)  ( 50.790,  21.230,   5.204)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (103.796, -158.227,  60.957)  (103.798, -158.154,  61.078)  ( 0.00,  0.05,  0.20)
185:     bond    (177.662, -154.078, 115.966)  (177.695, -154.065, 115.971)  ( 0.02,  0.01,  0.00)
185:     angle   (-79.371,   2.427, -37.672)  (-79.369,   2.439, -37.667)  ( 0.00,  0.49,  0.01)
185:     torsion (  5.287,  -6.260, -16.624)  (  5.287,  -6.260, -16.625)  ( 0.00,  0.00,  0.00)
185:     oop     (  0.219,  -0.317,  -0.712)  (  0.185,  -0.268,  -0.601)  ( 0.74,  1.57,  7.93)
185:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 21.862, -52.031, -15.008)  ( 21.866, -52.018, -15.006)  ( 0.02,  0.03,  0.02)
185:     bond    ( -1.880, -40.652,  -7.746)  ( -1.881, -40.638,  -7.745)  ( 0.01,  0.03,  0.00)
185:     angle   (-29.923,   3.090,  -8.952)  (-29.920,   3.090,  -8.950)  ( 0.01,  0.00,  0.03)
185:     torsion (  2.863,   0.677,  -4.249)  (  2.863,   0.677,  -4.249)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 50.802, -15.147,   5.939)  ( 50.803, -15.147,   5.938)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 43.159,  11.809,  -5.068)  ( 43.170,  11.813,  -5.064)  ( 0.03,  0.03,  0.08)
185:     bond    ( 36.898,  15.124, -16.150)  ( 36.908,  15.126, -16.149)  ( 0.03,  0.01,  0.01)
185:     angle   (  6.027,  -6.123,   8.042)  (  6.028,  -6.120,   8.044)  ( 0.02,  0.04,  0.03)
185:     torsion (  0.162,   2.832,   3.024)  (  0.162,   2.831,   3.023)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.072,  -0.024,   0.017)  (  0.072,  -0.024,   0.017)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (  0.303,  -0.949,  47.273)  (  0.306,  -0.946,  47.286)  ( 0.08,  0.24,  0.03)
185:     bond    ( -0.494,   7.245,  42.986)  ( -0.494,   7.245,  42.999)  ( 0.01,  0.00,  0.03)
185:     angle   ( -1.773,  -6.965,   1.153)  ( -1.770,  -6.962,   1.153)  ( 0.17,  0.04,  0.01)
185:     torsion ( -1.143,  -1.515,   0.242)  ( -1.143,  -1.515,   0.242)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.713,   0.287,   2.892)  (  3.714,   0.287,   2.892)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 88.097, -104.739,  97.655)  ( 88.280, -104.887,  97.246)  ( 0.21,  0.14,  0.42)
185:     bond    ( 21.237, -20.013,  15.611)  ( 21.279, -19.990,  15.619)  ( 0.20,  0.12,  0.06)
185:     angle   (101.256, -103.551,  78.175)  (101.266, -103.532,  78.178)  ( 0.01,  0.02,  0.00)
185:     torsion ( -2.958,   4.240,  10.109)  ( -2.958,   4.240,  10.110)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.747,   1.091,   2.439)  ( -0.616,   0.902,   2.017)  ( 9.75, 17.37, 17.30)
185:     vdw     (-30.691,  13.494,  -8.679)  (-30.690,  13.494,  -8.679)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 39.508,  46.688,  -7.338)  ( 39.476,  46.782,  -7.144)  ( 0.08,  0.20,  2.64)
185:     bond    (  9.695,  -4.494,   4.946)  (  9.718,  -4.489,   4.951)  ( 0.24,  0.11,  0.12)
185:     angle   ( 30.142,  50.853, -13.053)  ( 30.144,  50.859, -13.052)  ( 0.01,  0.01,  0.00)
185:     torsion ( -0.506,   0.733,   1.657)  ( -0.506,   0.733,   1.657)  ( 0.00,  0.00,  0.02)
185:     oop     (  0.263,  -0.386,  -0.867)  (  0.206,  -0.303,  -0.679)  ( 1.49,  3.22, 16.24)
185:     vdw     ( -0.086,  -0.018,  -0.021)  ( -0.086,  -0.018,  -0.021)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-171.999,   5.773, -50.556)  (-172.031,   5.844, -50.423)  ( 0.02,  1.23,  0.26)
185:     bond    ( -1.356,  40.905, -18.794)  ( -1.356,  40.918, -18.791)  ( 0.02,  0.03,  0.01)
185:     angle   (-96.949, -13.982, -23.449)  (-96.944, -13.981, -23.448)  ( 0.01,  0.00,  0.00)
185:     torsion (  0.647,  -0.940,  -2.094)  (  0.647,  -0.940,  -2.094)  ( 0.00,  0.01,  0.01)
185:     oop     (  0.265,  -0.389,  -0.867)  (  0.225,  -0.331,  -0.737)  ( 1.04,  2.27, 11.28)
185:     vdw     (-74.605, -19.821,  -5.352)  (-74.603, -19.821,  -5.352)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 8 # gradients 
185: ok 9 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       ( 79.151, -113.281, 196.799)  ( 74.305, -106.332, 184.856)  ( 6.12,  6.13,  6.07)
185:     bond    (101.517, -143.650, 249.265)  (101.546, -143.623, 249.282)  ( 0.03,  0.02,  0.01)
185:     angle   (-32.943,  45.373, -78.416)  (-32.934,  45.383, -78.405)  ( 0.03,  0.02,  0.01)
185:     torsion ( -0.022,  -0.007,  -0.017)  ( -0.021,  -0.007,  -0.016)  ( 0.00,  0.00,  0.00)
185:     oop     ( 10.599, -14.997,  25.967)  (  5.714,  -8.085,  13.995)  (46.09, 46.09, 46.10)
185:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-197.774,  -4.633,   7.852)  (-197.736,  -7.194,  12.372)  ( 0.02, 55.28, 57.56)
185:     bond    (-220.390,  -0.005,   0.000)  (-220.363,   0.015,   0.020)  ( 0.01,  0.01,  0.00)
185:     angle   ( -0.050, -17.052,  29.460)  ( -0.039, -17.041,  29.469)  ( 0.05,  0.06,  0.03)
185:     torsion (  0.000,   0.010,  -0.003)  (  0.000,   0.009,  -0.004)  ( 0.00,  0.00,  0.00)
185:     oop     (  0.000,   5.624,  -9.738)  (  0.000,   3.032,  -5.248)  ( 0.00, 46.09, 46.11)
185:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 35.790, 182.731,   7.817)  ( 38.267, 181.903,  12.337)  ( 6.92,  0.45, 57.83)
185:     bond    ( 73.413, 207.701,  -0.104)  ( 73.434, 207.728,  -0.084)  ( 0.03,  0.01,  0.21)
185:     angle   ( 16.533,  -6.005,  29.483)  ( 16.544,  -5.994,  29.492)  ( 0.07,  0.18,  0.03)
185:     torsion (  0.009,  -0.004,   0.023)  (  0.010,  -0.003,   0.023)  ( 0.00,  0.00,  0.00)
185:     oop     ( -5.302,   1.878,  -9.738)  ( -2.858,   1.012,  -5.248)  (46.09, 46.09, 46.11)
185:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 34.911, -98.106, -154.854)  ( 37.386, -101.529, -151.827)  ( 7.09,  3.49,  1.95)
185:     bond    ( 73.430, -103.943, -180.098)  ( 73.451, -103.921, -180.073)  ( 0.03,  0.02,  0.01)
185:     angle   ( 16.165, -22.410,  19.547)  ( 16.176, -22.400,  19.557)  ( 0.07,  0.05,  0.05)
185:     torsion ( -0.002,   0.009,  -0.006)  ( -0.001,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
185:     oop     ( -5.297,   7.495,  -6.490)  ( -2.855,   4.040,  -3.498)  (46.10, 46.10, 46.10)
185:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       ( 31.635,  91.501,   0.054)  ( 31.641,  91.514,   0.056)  ( 0.02,  0.01,  0.01)
185:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
185:     angle   ( -0.323,  -0.114,  -0.029)  ( -0.320,  -0.113,  -0.027)  ( 0.10,  0.00,  0.01)
185:     torsion ( -0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.002)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-28.211, -39.950,  69.376)  (-28.206, -39.946,  69.386)  ( 0.02,  0.01,  0.01)
185:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.129,   0.063,   0.091)  (  0.132,   0.065,   0.091)  ( 0.04,  0.01,  0.01)
185:     torsion ( -0.000,   0.004,   0.002)  (  0.000,   0.004,   0.002)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 32.891, -45.899, -79.600)  ( 32.897, -45.895, -79.590)  ( 0.02,  0.01,  0.01)
185:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.224,   0.070,  -0.135)  (  0.227,   0.072,  -0.134)  ( 0.07,  0.01,  0.01)
185:     torsion ( -0.000,  -0.006,   0.004)  (  0.000,  -0.006,   0.004)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       ( 81.326,  -9.585,  -5.836)  ( 81.340,  -9.581,  -5.834)  ( 0.02,  0.04,  0.04)
185:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
185:     angle   ( -0.000,   0.398,  -0.043)  (  0.000,   0.401,  -0.041)  ( 0.00,  0.13,  0.01)
185:     torsion ( -0.000,  -0.000,  -0.002)  (  0.000,   0.000,  -0.001)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-38.408,  31.439,  64.243)  (-38.403,  31.445,  64.253)  ( 0.01,  0.02,  0.02)
185:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.071,  -0.115,   0.094)  (  0.073,  -0.112,   0.095)  ( 0.01,  0.03,  0.01)
185:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-37.054,  19.007, -66.658)  (-37.049,  19.013, -66.648)  ( 0.01,  0.03,  0.02)
185:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.061,  -0.204,  -0.143)  (  0.063,  -0.202,  -0.142)  ( 0.01,  0.05,  0.01)
185:     torsion (  0.007,  -0.002,  -0.004)  (  0.007,  -0.002,  -0.004)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       ( 81.329,   9.798,   5.419)  ( 81.343,   9.801,   5.423)  ( 0.02,  0.03,  0.06)
185:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
185:     angle   ( -0.000,  -0.204,  -0.290)  ( -0.000,  -0.202,  -0.287)  ( 0.00,  0.04,  0.09)
185:     torsion ( -0.000,   0.008,  -0.005)  ( -0.000,   0.008,  -0.005)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-37.251,  48.145, -49.889)  (-37.247,  48.151, -49.878)  ( 0.01,  0.01,  0.02)
185:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.045,   0.152,   0.069)  (  0.047,   0.154,   0.070)  ( 0.01,  0.03,  0.01)
185:     torsion ( -0.009,  -0.006,   0.000)  ( -0.009,  -0.006,   0.000)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-38.542, -71.364,   5.090)  (-38.538, -71.351,   5.094)  ( 0.01,  0.02,  0.07)
185:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
185:     angle   (  0.029,  -0.011,   0.258)  (  0.031,  -0.011,   0.261)  ( 0.01,  0.00,  0.08)
185:     torsion (  0.014,  -0.005,   0.009)  (  0.014,  -0.005,   0.009)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 10 # gradients 
185: ok 11 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-459.477, 649.250, -1124.640)  (-425.030, 600.544, -1040.261)  ( 7.50,  7.50,  7.50)
185:     bond    (-267.083, 377.923, -654.760)  (-267.073, 377.932, -654.759)  ( 0.00,  0.00,  0.00)
185:     angle   (-117.641, 165.638, -286.837)  (-117.636, 165.643, -286.831)  ( 0.00,  0.00,  0.00)
185:     torsion ( -0.050,  -0.016,  -0.038)  ( -0.049,  -0.016,  -0.038)  ( 0.00,  0.00,  0.00)
185:     oop     (-74.704, 105.704, -183.005)  (-40.272,  56.984, -98.633)  (46.09, 46.09, 46.10)
185:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (909.379, -95.010, 164.381)  (909.405, -76.714, 132.762)  ( 0.00, 19.26, 19.24)
185:     bond    (886.759,  -0.001,   0.004)  (886.777,   0.015,   0.020)  ( 0.00,  0.00,  0.01)
185:     angle   ( -0.046, -62.174, 107.620)  ( -0.038, -62.166, 107.627)  ( 0.04,  0.01,  0.01)
185:     torsion (  0.000,   0.022,  -0.008)  (  0.000,   0.022,  -0.009)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000, -39.647,  68.632)  (  0.000, -21.376,  36.989)  ( 0.00, 46.09, 46.11)
185:     vdw     ( 22.666,   6.790, -11.866)  ( 22.666,   6.791, -11.866)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-248.852, -890.906, 164.380)  (-266.049, -884.780, 132.762)  ( 6.91,  0.69, 19.24)
185:     bond    (-296.159, -835.902,  -0.100)  (-296.142, -835.885,  -0.084)  ( 0.01,  0.00,  0.16)
185:     angle   ( 58.775, -20.921, 107.642)  ( 58.783, -20.913, 107.649)  ( 0.01,  0.04,  0.01)
185:     torsion (  0.022,  -0.008,   0.053)  (  0.023,  -0.008,   0.053)  ( 0.00,  0.00,  0.00)
185:     oop     ( 37.373, -13.235,  68.633)  ( 20.150,  -7.136,  36.989)  (46.09, 46.09, 46.11)
185:     vdw     (-48.863, -20.839, -11.847)  (-48.862, -20.839, -11.847)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-249.014, 303.413, 853.488)  (-266.195, 327.787, 832.430)  ( 6.90,  8.03,  2.47)
185:     bond    (-295.509, 418.119, 723.951)  (-295.493, 418.136, 723.968)  ( 0.01,  0.00,  0.00)
185:     angle   ( 58.556, -82.647,  71.621)  ( 58.564, -82.640,  71.629)  ( 0.01,  0.01,  0.01)
185:     torsion ( -0.004,   0.020,  -0.014)  ( -0.003,   0.021,  -0.013)  ( 0.00,  0.00,  0.00)
185:     oop     ( 37.330, -52.822,  45.737)  ( 20.122, -28.473,  24.654)  (46.10, 46.10, 46.10)
185:     vdw     (-49.386,  20.743,  12.193)  (-49.385,  20.743,  12.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       ( 31.733,  91.536,   0.053)  ( 31.739,  91.548,   0.054)  ( 0.02,  0.01,  0.01)
185:     bond    (-28.294,  79.889,  -0.000)  (-28.292,  79.901,   0.000)  ( 0.01,  0.02,  0.00)
185:     angle   ( -0.225,  -0.079,  -0.029)  ( -0.223,  -0.079,  -0.027)  ( 0.05,  0.00,  0.01)
185:     torsion ( -0.000,  -0.000,  -0.003)  (  0.000,   0.000,  -0.004)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 60.252,  11.726,   0.085)  ( 60.254,  11.726,   0.085)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-28.241, -39.940,  69.370)  (-28.237, -39.935,  69.380)  ( 0.01,  0.01,  0.01)
185:     bond    (-28.241, -39.967,  69.197)  (-28.239, -39.964,  69.207)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.099,   0.069,   0.081)  (  0.101,   0.070,   0.082)  ( 0.02,  0.01,  0.01)
185:     torsion ( -0.000,   0.009,   0.005)  (  0.000,   0.009,   0.005)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.100,  -0.050,   0.086)  ( -0.100,  -0.050,   0.086)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 32.824, -45.896, -79.574)  ( 32.829, -45.891, -79.564)  ( 0.02,  0.01,  0.01)
185:     bond    (-28.228, -39.956, -69.236)  (-28.226, -39.952, -69.227)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.157,   0.082,  -0.114)  (  0.159,   0.084,  -0.113)  ( 0.03,  0.01,  0.01)
185:     torsion ( -0.000,  -0.015,   0.009)  (  0.000,  -0.015,   0.009)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 60.894,  -6.008, -10.233)  ( 60.896,  -6.008, -10.233)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       ( 81.326,  -9.696,  -5.838)  ( 81.340,  -9.693,  -5.836)  ( 0.02,  0.03,  0.05)
185:     bond    ( 84.815,  -0.000,  -0.000)  ( 84.828,   0.000,   0.000)  ( 0.02,  0.00,  0.00)
185:     angle   ( -0.000,   0.286,  -0.043)  (  0.000,   0.289,  -0.041)  ( 0.00,  0.07,  0.01)
185:     torsion ( -0.000,  -0.000,  -0.004)  (  0.000,   0.000,  -0.003)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.488,  -9.982,  -5.791)  ( -3.488,  -9.982,  -5.791)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-38.399,  31.454,  64.238)  (-38.395,  31.459,  64.249)  ( 0.01,  0.02,  0.02)
185:     bond    (-28.241,  39.961,  69.197)  (-28.239,  39.964,  69.207)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.079,  -0.100,   0.089)  (  0.081,  -0.098,   0.090)  ( 0.01,  0.02,  0.01)
185:     torsion (  0.000,  -0.000,   0.000)  (  0.001,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.238,  -8.406,  -5.048)  (-10.238,  -8.406,  -5.048)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-37.018,  19.050, -66.648)  (-37.014,  19.056, -66.638)  ( 0.01,  0.03,  0.02)
185:     bond    (-28.186,  39.882, -69.132)  (-28.184,  39.885, -69.123)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.088,  -0.157,  -0.127)  (  0.090,  -0.155,  -0.126)  ( 0.02,  0.03,  0.01)
185:     torsion (  0.016,  -0.006,  -0.010)  (  0.016,  -0.006,  -0.010)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.936, -20.668,   2.621)  ( -8.936, -20.668,   2.621)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       ( 81.329,   9.860,   5.501)  ( 81.343,   9.863,   5.504)  ( 0.02,  0.03,  0.05)
185:     bond    ( 84.815,  -0.023,  -0.045)  ( 84.829,  -0.022,  -0.045)  ( 0.02,  0.00,  0.00)
185:     angle   ( -0.000,  -0.153,  -0.202)  ( -0.000,  -0.151,  -0.199)  ( 0.00,  0.03,  0.05)
185:     torsion ( -0.000,   0.019,  -0.011)  ( -0.000,   0.019,  -0.011)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.486,  10.017,   5.759)  ( -3.486,  10.017,   5.759)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-37.250,  48.120, -49.904)  (-37.246,  48.125, -49.894)  ( 0.01,  0.01,  0.02)
185:     bond    (-28.274,  39.959, -69.218)  (-28.273,  39.962, -69.209)  ( 0.01,  0.01,  0.01)
185:     angle   (  0.058,   0.135,   0.054)  (  0.059,   0.137,   0.055)  ( 0.01,  0.02,  0.00)
185:     torsion ( -0.020,  -0.014,   0.000)  ( -0.020,  -0.014,   0.000)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -9.013,   8.040,  19.260)  ( -9.013,   8.040,  19.261)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-38.494, -71.381,   5.049)  (-38.490, -71.368,   5.051)  ( 0.01,  0.02,  0.05)
185:     bond    (-28.276, -79.984,   0.044)  (-28.274, -79.972,   0.045)  ( 0.01,  0.02,  0.00)
185:     angle   (  0.058,  -0.021,   0.205)  (  0.060,  -0.021,   0.207)  ( 0.01,  0.00,  0.05)
185:     torsion (  0.033,  -0.012,   0.020)  (  0.033,  -0.012,   0.020)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.309,   8.636,   4.779)  (-10.308,   8.636,   4.779)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 12 # gradients 
185: ok 13 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-23.613,  -2.210,   2.937)  (-23.569,  -2.180,   2.984)  ( 0.18,  1.36,  1.58)
185:     bond    ( 37.054, -12.937,  -8.013)  ( 37.079, -12.911,  -8.009)  ( 0.07,  0.20,  0.05)
185:     angle   (  8.962,  10.378,   2.516)  (  8.976,  10.387,   2.517)  ( 0.16,  0.08,  0.05)
185:     torsion (  0.413,  -0.973,   2.161)  (  0.413,  -0.970,   2.180)  ( 0.01,  0.23,  0.87)
185:     oop     ( -0.012,   0.041,  -0.132)  ( -0.010,   0.035,  -0.109)  ( 0.00,  0.03,  0.30)
185:     vdw     (-70.030,   1.280,   6.405)  (-70.028,   1.279,   6.405)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (  5.393,  18.793,  11.158)  (  5.423,  18.875,  11.055)  ( 0.56,  0.44,  0.92)
185:     bond    ( 33.675, -25.493, -10.735)  ( 33.703, -25.470, -10.732)  ( 0.08,  0.09,  0.03)
185:     angle   (  5.674, -17.005,  -6.268)  (  5.685, -16.993,  -6.267)  ( 0.19,  0.07,  0.03)
185:     torsion ( -0.145,  -0.448,   2.063)  ( -0.145,  -0.446,   2.082)  ( 0.00,  0.09,  0.93)
185:     oop     (  0.056,  -0.262,   0.769)  (  0.047,  -0.218,   0.643)  ( 0.05,  1.13,  9.71)
185:     vdw     (-33.868,  62.001,  25.328)  (-33.867,  62.002,  25.328)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (  1.940,  56.571,  23.255)  (  1.997,  56.545,  23.470)  ( 2.94,  0.05,  0.92)
185:     bond    (-19.349, -52.993, -17.882)  (-19.321, -52.969, -17.878)  ( 0.14,  0.04,  0.02)
185:     angle   ( 19.610,  45.310,  15.043)  ( 19.622,  45.322,  15.044)  ( 0.06,  0.03,  0.01)
185:     torsion (  0.402,  -8.286,  20.372)  (  0.402,  -8.283,  20.392)  ( 0.01,  0.03,  0.10)
185:     oop     ( -0.091,   0.393,  -1.144)  ( -0.076,   0.328,  -0.954)  ( 0.14,  2.57, 16.66)
185:     vdw     (  1.369,  72.147,   6.866)  (  1.370,  72.148,   6.866)  ( 0.11,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-27.138,  -3.592, -19.127)  (-27.058,  -4.344, -18.348)  ( 0.30, 20.92,  4.08)
185:     bond    (-50.594,  14.579,   8.252)  (-50.560,  14.605,   8.256)  ( 0.07,  0.18,  0.05)
185:     angle   (-30.588, -25.587,  20.635)  (-30.571, -25.572,  20.639)  ( 0.06,  0.06,  0.02)
185:     torsion ( -1.996,  13.629, -22.256)  ( -1.996,  13.632, -22.238)  ( 0.00,  0.02,  0.08)
185:     oop     ( -0.149,   3.849,  -3.856)  ( -0.122,   3.053,  -3.103)  ( 0.41, 20.67, 19.52)
185:     vdw     ( 56.189, -10.062, -21.902)  ( 56.191, -10.062, -21.902)  ( 0.00,  0.00,  0.00)
179:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-31.880, -44.982,  35.045)  (-31.882, -44.749,  34.526)  ( 0.01,  0.52,  1.48)
185:     bond    (-40.420,  41.995,  21.806)  (-40.392,  42.018,  21.810)  ( 0.07,  0.06,  0.02)
185:     angle   (-15.456,  -7.499,  -1.323)  (-15.444,  -7.487,  -1.321)  ( 0.08,  0.16,  0.14)
185:     torsion (  4.465, -13.505,  34.153)  (  4.466, -13.502,  34.172)  ( 0.00,  0.02,  0.06)
185:     oop     (  0.262,  -1.152,   3.243)  (  0.219,  -0.958,   2.700)  ( 1.13, 16.82, 16.74)
185:     vdw     ( 19.269, -64.822, -22.834)  ( 19.270, -64.821, -22.833)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-12.291, -27.965, -12.989)  (-12.245, -27.951, -12.903)  ( 0.37,  0.05,  0.66)
185:     bond    ( 44.261,  36.517,   8.020)  ( 44.289,  36.540,   8.023)  ( 0.06,  0.06,  0.04)
185:     angle   (-13.442,  -1.258,   0.913)  (-13.431,  -1.246,   0.915)  ( 0.08,  0.94,  0.13)
185:     torsion ( -0.065,   2.436,  -2.077)  ( -0.065,   2.438,  -2.058)  ( 0.00,  0.09,  0.91)
185:     oop     ( -0.038,   0.156,  -0.397)  ( -0.032,   0.132,  -0.334)  ( 0.02,  0.39,  2.46)
185:     vdw     (-43.007, -65.816, -19.449)  (-43.007, -65.815, -19.449)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-25.860,  -1.136, 338.779)  (-25.614,   0.247, 337.431)  ( 0.95, 121.78,  0.40)
185:     bond    ( 65.767, 140.323, 186.598)  ( 65.806, 140.339, 186.620)  ( 0.06,  0.01,  0.01)
185:     angle   (-41.279,  19.132,  42.502)  (-41.263,  19.142,  42.512)  ( 0.04,  0.05,  0.02)
185:     torsion (-46.293, -174.861, 111.475)  (-46.292, -174.854, 111.480)  ( 0.00,  0.00,  0.00)
185:     oop     ( -1.261,  -6.768,   7.409)  ( -1.070,  -5.418,   6.024)  (15.15, 19.95, 18.69)
185:     vdw     ( -2.796,  21.037,  -9.205)  ( -2.795,  21.038,  -9.205)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (  2.007, -141.218, -337.027)  (  1.906, -139.418, -337.650)  ( 5.02,  1.27,  0.18)
185:     bond    (-148.647, -41.584, -55.210)  (-148.617, -41.572, -55.173)  ( 0.02,  0.03,  0.07)
185:     angle   (150.718, -65.909, -63.785)  (150.744, -65.902, -63.775)  ( 0.02,  0.01,  0.02)
185:     torsion (-23.473,  13.213, -231.721)  (-23.472,  13.218, -231.720)  ( 0.00,  0.04,  0.00)
185:     oop     (  1.005, -10.683,   4.518)  (  0.847,  -8.909,   3.846)  (15.73, 16.60, 14.87)
185:     vdw     ( 22.404, -36.254,   9.172)  ( 22.405, -36.253,   9.172)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-40.105,  25.157, -120.469)  (-40.036,  24.105, -119.861)  ( 0.17,  4.18,  0.50)
185:     bond    ( 30.421, -42.975, -81.162)  ( 30.425, -42.968, -81.138)  ( 0.01,  0.02,  0.03)
185:     angle   (-97.973, -21.203, -25.506)  (-97.964, -21.203, -25.506)  ( 0.01,  0.00,  0.00)
185:     torsion ( -6.259, 116.531, -64.058)  ( -6.259, 116.532, -64.058)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.265,   5.425,  -2.973)  ( -0.209,   4.364,  -2.389)  ( 1.47, 19.56, 19.62)
185:     vdw     ( 33.971, -32.620,  53.230)  ( 33.972, -32.619,  53.231)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       ( 91.167,   5.416,  71.329)  ( 91.166,   4.769,  71.373)  ( 0.00, 11.95,  0.06)
185:     bond    (226.913, -56.230, -30.230)  (226.943, -56.204, -30.227)  ( 0.01,  0.05,  0.01)
185:     angle   (-194.316,  65.945, -70.440)  (-194.300,  65.958, -70.436)  ( 0.01,  0.02,  0.01)
185:     torsion ( 32.606, -18.848, 156.550)  ( 32.607, -18.846, 156.563)  ( 0.00,  0.01,  0.01)
185:     oop     (  0.229,   4.708,  -0.230)  (  0.181,   4.020,  -0.205)  ( 1.09, 14.62,  0.56)
185:     vdw     ( 25.735,   9.840,  15.679)  ( 25.736,   9.841,  15.679)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (225.628, -206.652,  69.044)  (225.683, -206.423,  69.714)  ( 0.02,  0.11,  0.97)
185:     bond    ( 93.426, -53.532,   4.505)  ( 93.459, -53.503,   4.510)  ( 0.04,  0.05,  0.10)
185:     angle   (119.389, -90.859, 170.310)  (119.405, -90.843, 170.313)  ( 0.01,  0.02,  0.00)
185:     torsion ( 13.029, -48.793, -96.910)  ( 13.029, -48.791, -96.893)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.069,  -0.913,  -3.501)  ( -0.065,  -0.731,  -2.856)  ( 0.03, 16.60, 18.45)
185:     vdw     ( -0.146, -12.555,  -5.360)  ( -0.146, -12.555,  -5.360)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-93.468, -119.866,  38.940)  (-93.411, -119.855,  38.827)  ( 0.06,  0.01,  0.29)
185:     bond    (-186.226, -17.199,  -4.867)  (-186.184, -17.162,  -4.865)  ( 0.02,  0.21,  0.05)
185:     angle   (100.853, -104.886,  -7.299)  (100.869, -104.868,  -7.296)  ( 0.02,  0.02,  0.04)
185:     torsion ( -3.809,   9.448,  48.069)  ( -3.809,   9.448,  48.091)  ( 0.00,  0.01,  0.04)
185:     oop     ( -0.012,   0.289,   1.060)  ( -0.013,   0.245,   0.920)  ( 0.00,  1.28, 13.28)
185:     vdw     ( -4.274,  -7.518,   1.976)  ( -4.274,  -7.518,   1.977)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (  3.335, 288.444, -76.170)  (  3.362, 288.525, -75.893)  ( 0.82,  0.03,  0.36)
185:     bond    (  4.828, 149.615, -23.114)  (  4.856, 149.648, -23.113)  ( 0.59,  0.02,  0.01)
185:     angle   ( 58.584,  79.414, -45.322)  ( 58.600,  79.429, -45.321)  ( 0.03,  0.02,  0.00)
185:     torsion ( -0.800,  11.926, -13.399)  ( -0.800,  11.927, -13.378)  ( 0.02,  0.01,  0.16)
185:     oop     (  0.110,  -0.159,  -1.678)  (  0.091,  -0.129,  -1.424)  ( 0.21,  0.48, 15.12)
185:     vdw     (-59.388,  47.647,   7.343)  (-59.386,  47.650,   7.343)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       ( 97.961, 147.551, 113.911)  ( 98.001, 147.592, 113.202)  ( 0.04,  0.03,  0.62)
185:     bond    (-154.829, 111.469,  -0.872)  (-154.804, 111.501,  -0.871)  ( 0.02,  0.03,  0.09)
185:     angle   (248.150,  36.634,  82.756)  (248.166,  36.648,  82.756)  ( 0.01,  0.04,  0.00)
185:     torsion ( -1.838,  -9.032,  27.518)  ( -1.838,  -9.032,  27.541)  ( 0.02,  0.00,  0.08)
185:     oop     ( -0.039,   0.000,   3.201)  ( -0.040,  -0.006,   2.469)  ( 0.00,  0.00, 22.88)
185:     vdw     (  6.518,   8.480,   1.307)  (  6.518,   8.480,   1.307)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (-105.638, -92.389,  26.667)  (-105.524, -92.343,  27.540)  ( 0.11,  0.05,  3.28)
185:     bond    ( 53.724, -43.269, -13.811)  ( 53.752, -43.241, -13.809)  ( 0.05,  0.06,  0.01)
185:     angle   (-150.033, -101.179,  -4.308)  (-150.019, -101.165,  -4.309)  ( 0.01,  0.01,  0.01)
185:     torsion (-12.547,  -1.115,  45.037)  (-12.546,  -1.115,  45.061)  ( 0.00,  0.01,  0.05)
185:     oop     ( -0.413,   0.024,  -4.236)  ( -0.342,   0.027,  -3.386)  ( 2.93,  0.01, 20.05)
185:     vdw     (  3.631,  53.150,   3.984)  (  3.631,  53.151,   3.984)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-73.437,   0.837,  32.603)  (-73.425,   0.887,  32.365)  ( 0.02,  4.21,  0.73)
185:     bond    ( 50.547, -70.937, -15.049)  ( 50.574, -70.910, -15.048)  ( 0.05,  0.04,  0.01)
185:     angle   (-70.177,  42.637,   8.768)  (-70.165,  42.649,   8.768)  ( 0.02,  0.03,  0.00)
185:     torsion (  3.371,  -2.144,  22.650)  (  3.371,  -2.143,  22.671)  ( 0.02,  0.02,  0.09)
185:     oop     (  0.179,  -0.069,   1.564)  (  0.150,  -0.060,   1.303)  ( 0.52,  0.07, 16.70)
185:     vdw     (-57.357,  31.349,  14.670)  (-57.356,  31.350,  14.670)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-38.012,   1.098,  26.556)  (-37.969,   1.136,  26.591)  ( 0.11,  3.43,  0.13)
185:     bond    ( 38.128,  64.277,   2.987)  ( 38.153,  64.305,   2.988)  ( 0.07,  0.04,  0.04)
185:     angle   (  4.265, -26.112,  -4.627)  (  4.279, -26.101,  -4.627)  ( 0.32,  0.04,  0.00)
185:     torsion (  3.666,  -2.511,  22.904)  (  3.666,  -2.510,  22.925)  ( 0.01,  0.01,  0.09)
185:     oop     ( -0.014,   0.010,  -0.082)  ( -0.012,   0.008,  -0.069)  ( 0.00,  0.00,  0.11)
185:     vdw     (-84.058, -34.566,   5.374)  (-84.056, -34.565,   5.374)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       ( -6.612, -14.388,   4.623)  ( -6.583, -14.337,   4.539)  ( 0.44,  0.35,  1.82)
185:     bond    (-23.301,  24.678,   5.043)  (-23.273,  24.703,   5.044)  ( 0.12,  0.10,  0.02)
185:     angle   ( 23.724,  18.525,  -0.135)  ( 23.734,  18.539,  -0.135)  ( 0.04,  0.08,  0.00)
185:     torsion (  0.087,  -0.016,   3.427)  (  0.087,  -0.016,   3.448)  ( 0.00,  0.00,  0.62)
185:     oop     (  0.058,  -0.061,   0.636)  (  0.049,  -0.051,   0.530)  ( 0.06,  0.06,  6.75)
185:     vdw     ( -7.180, -57.513,  -4.349)  ( -7.180, -57.512,  -4.349)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       ( 11.714,  20.273,   5.442)  ( 11.764,  20.303,   5.582)  ( 0.43,  0.14,  2.59)
185:     bond    (  3.716,  51.056,   3.270)  (  3.743,  51.083,   3.271)  ( 0.71,  0.05,  0.02)
185:     angle   (-53.611,  15.132,   7.002)  (-53.599,  15.144,   7.002)  ( 0.02,  0.08,  0.00)
185:     torsion (  1.337,  -0.581,   6.526)  (  1.337,  -0.581,   6.547)  ( 0.01,  0.01,  0.32)
185:     oop     ( -0.057,   0.060,  -0.698)  ( -0.047,   0.050,  -0.579)  ( 0.06,  0.06,  8.29)
185:     vdw     ( 60.329, -45.394, -10.659)  ( 60.330, -45.393, -10.659)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       ( 85.817,   0.348,   2.069)  ( 85.847,   0.385,   2.035)  ( 0.04,  1.29,  1.64)
185:     bond    (-102.276,  22.499,  12.095)  (-102.251,  22.527,  12.096)  ( 0.02,  0.13,  0.01)
185:     angle   (114.983,   0.338, -13.795)  (114.997,   0.349, -13.795)  ( 0.01,  0.36,  0.00)
185:     torsion (  3.315,   2.200,  13.926)  (  3.315,   2.200,  13.947)  ( 0.01,  0.01,  0.15)
185:     oop     (  0.081,   0.015,   0.475)  (  0.070,   0.011,   0.419)  ( 0.09,  0.01,  2.68)
185:     vdw     ( 69.714, -24.704, -10.632)  ( 69.716, -24.702, -10.632)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-66.238,  22.367,  95.317)  (-66.197,  22.317,  95.067)  ( 0.06,  0.22,  0.26)
185:     bond    ( 55.099, -110.431, 101.265)  ( 55.118, -110.408, 101.284)  ( 0.03,  0.02,  0.02)
185:     angle   (-100.710,  88.879, -129.473)  (-100.696,  88.891, -129.464)  ( 0.01,  0.01,  0.01)
185:     torsion (-18.856,  33.146, 127.144)  (-18.854,  33.148, 127.149)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.022,   0.319,   1.038)  ( -0.016,   0.233,   0.756)  ( 0.01,  2.77, 27.17)
185:     vdw     ( -1.750,  10.454,  -4.658)  ( -1.749,  10.454,  -4.658)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       ( 10.945, -26.557,  21.043)  ( 10.974, -26.528,  21.072)  ( 0.26,  0.11,  0.14)
185:     bond    ( 78.061, -32.255, -59.087)  ( 78.080, -32.237, -59.068)  ( 0.02,  0.05,  0.03)
185:     angle   (-71.166, -17.158,  58.672)  (-71.158, -17.148,  58.681)  ( 0.01,  0.05,  0.02)
185:     torsion ( 16.636,   5.460,  15.588)  ( 16.636,   5.461,  15.588)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-12.585,  17.395,   5.870)  (-12.584,  17.396,   5.870)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( 33.427, -21.864,   6.423)  ( 33.457, -21.835,   6.452)  ( 0.09,  0.13,  0.45)
185:     bond    (-69.515, -53.766,  16.940)  (-69.496, -53.748,  16.959)  ( 0.03,  0.03,  0.11)
185:     angle   (104.511,   2.138,  -2.504)  (104.521,   2.147,  -2.495)  ( 0.01,  0.41,  0.34)
185:     torsion (  7.290,  -4.506,  14.180)  (  7.291,  -4.505,  14.182)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.860,  34.269, -22.193)  ( -8.858,  34.270, -22.193)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-59.522,  73.111, -61.491)  (-59.480,  73.147, -61.474)  ( 0.07,  0.05,  0.03)
185:     bond    ( -1.423, -127.289,  25.653)  ( -1.396, -127.270,  25.672)  ( 1.85,  0.02,  0.07)
185:     angle   (-73.912, 231.350, -63.017)  (-73.899, 231.367, -63.008)  ( 0.02,  0.01,  0.01)
185:     torsion ( -1.153,  -2.884, -31.550)  ( -1.153,  -2.883, -31.544)  ( 0.07,  0.07,  0.02)
185:     oop     ( -0.002,   0.011,   0.067)  ( -0.002,   0.008,   0.050)  ( 0.00,  0.00,  0.11)
185:     vdw     ( 16.968, -28.077,   7.357)  ( 16.969, -28.076,   7.357)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       ( -9.675,   6.016, -13.876)  ( -9.641,   6.050, -13.844)  ( 0.35,  0.57,  0.23)
185:     bond    (-21.693, 101.511, -10.537)  (-21.673, 101.529, -10.518)  ( 0.09,  0.02,  0.17)
185:     angle   (-41.649, -155.895,   4.820)  (-41.638, -155.882,   4.830)  ( 0.03,  0.01,  0.22)
185:     torsion ( -2.346,  -4.745,  -0.756)  ( -2.345,  -4.743,  -0.754)  ( 0.03,  0.03,  0.21)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 56.013,  65.145,  -7.403)  ( 56.015,  65.146,  -7.403)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (-66.360,  63.008, 151.800)  (-66.326,  63.047, 151.841)  ( 0.05,  0.06,  0.03)
185:     bond    ( 23.914, -31.082, 126.884)  ( 23.934, -31.059, 126.909)  ( 0.08,  0.07,  0.02)
185:     angle   (-80.332, 108.889,  -9.633)  (-80.318, 108.904,  -9.619)  ( 0.02,  0.01,  0.15)
185:     torsion ( -4.548,  -7.157,  32.760)  ( -4.547,  -7.156,  32.761)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.395,  -7.642,   1.790)  ( -5.394,  -7.642,   1.790)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       ( -3.335,  28.070,  31.883)  ( -3.302,  28.101,  31.915)  ( 1.00,  0.11,  0.10)
185:     bond    ( -2.543, 116.577,  10.472)  ( -2.523, 116.596,  10.490)  ( 0.81,  0.02,  0.17)
185:     angle   (-14.795, -77.489, -16.820)  (-14.784, -77.477, -16.808)  ( 0.08,  0.02,  0.07)
185:     torsion (  3.122, -17.800,  28.898)  (  3.123, -17.799,  28.899)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.881,   6.781,   9.333)  ( 10.882,   6.781,   9.333)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (-24.969, -88.911, 251.020)  (-24.932, -88.876, 251.061)  ( 0.15,  0.04,  0.02)
185:     bond    ( 27.243, -89.704, 157.951)  ( 27.263, -89.683, 157.978)  ( 0.08,  0.02,  0.02)
185:     angle   (-61.752,   2.506,  67.387)  (-61.736,   2.520,  67.401)  ( 0.03,  0.56,  0.02)
185:     torsion ( 16.304,   4.570,  25.812)  ( 16.305,   4.570,  25.813)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.765,  -6.283,  -0.131)  ( -6.764,  -6.283,  -0.131)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       (121.830, 139.624,   6.344)  (121.601, 140.012,   6.557)  ( 0.19,  0.28,  3.36)
185:     bond    ( 53.237, 119.656,  38.714)  ( 53.256, 119.676,  38.733)  ( 0.04,  0.02,  0.05)
185:     angle   ( 33.866,  64.258, -10.453)  ( 33.877,  64.269, -10.439)  ( 0.03,  0.02,  0.14)
185:     torsion ( 11.309, -24.297,  36.020)  ( 11.309, -24.296,  36.020)  ( 0.00,  0.00,  0.00)
185:     oop     (  2.504,  -3.437,  -1.712)  (  2.244,  -3.079,  -1.533)  (10.38, 10.39, 10.43)
185:     vdw     ( 20.914, -16.557, -56.225)  ( 20.915, -16.557, -56.224)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (-634.732, -306.472, -606.488)  (-632.744, -308.968, -607.724)  ( 0.31,  0.81,  0.20)
185:     bond    (-277.869,  75.610, -564.058)  (-277.851,  75.624, -564.017)  ( 0.01,  0.02,  0.01)
185:     angle   (-406.214, -378.621,   3.969)  (-406.199, -378.612,   3.979)  ( 0.00,  0.00,  0.23)
185:     torsion (  7.598,  -8.679,  14.394)  (  7.598,  -8.679,  14.394)  ( 0.00,  0.01,  0.00)
185:     oop     ( -9.905,  13.111,   6.630)  ( -7.950,  10.593,   5.341)  (19.74, 19.21, 19.44)
185:     vdw     ( 51.658,  -7.894, -67.422)  ( 51.659,  -7.894, -67.421)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (255.888, -20.863, 326.222)  (255.033, -19.748, 326.821)  ( 0.33,  5.34,  0.18)
185:     bond    (-25.278, -142.548, 236.213)  (-25.277, -142.539, 236.238)  ( 0.01,  0.01,  0.01)
185:     angle   (245.224, 135.470, 107.978)  (245.229, 135.472, 107.978)  ( 0.00,  0.00,  0.00)
185:     torsion ( 16.660, -22.922, -12.048)  ( 16.659, -22.923, -12.048)  ( 0.00,  0.00,  0.00)
185:     oop     (  3.710,  -4.857,  -2.534)  (  2.848,  -3.754,  -1.960)  (23.23, 22.71, 22.63)
185:     vdw     ( 15.572,  13.995,  -3.387)  ( 15.573,  13.995,  -3.387)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (714.427, 258.670, -21.571)  (713.613, 259.733, -21.011)  ( 0.11,  0.41,  2.60)
185:     bond    (224.614,   7.051, 333.105)  (224.621,   7.049, 333.121)  ( 0.00,  0.02,  0.01)
185:     angle   (185.180, 209.834, -129.309)  (185.184, 209.837, -129.308)  ( 0.00,  0.00,  0.00)
185:     torsion (-17.793,  24.359,  11.482)  (-17.793,  24.359,  11.482)  ( 0.00,  0.00,  0.00)
185:     oop     (  3.689,  -4.821,  -2.386)  (  2.858,  -3.759,  -1.847)  (22.53, 22.02, 22.57)
185:     vdw     (318.736,  22.247, -234.463)  (318.744,  22.246, -234.459)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       ( 71.242, -142.602,  -9.270)  ( 71.247, -142.570,  -9.245)  ( 0.01,  0.02,  0.27)
185:     bond    ( -6.359, -151.413, -79.773)  ( -6.359, -151.384, -79.756)  ( 0.00,  0.02,  0.02)
185:     angle   ( 74.980, -19.554,  66.012)  ( 74.984, -19.551,  66.020)  ( 0.01,  0.01,  0.01)
185:     torsion ( -8.427,   9.675,  -6.479)  ( -8.427,   9.676,  -6.479)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.049,  18.689,  10.970)  ( 11.050,  18.690,  10.970)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       (-57.580,  58.619, -138.104)  (-57.548,  58.623, -138.077)  ( 0.06,  0.01,  0.02)
185:     bond    (-63.307,   3.061, -175.086)  (-63.282,   3.062, -175.065)  ( 0.04,  0.04,  0.01)
185:     angle   ( 11.175,   1.052,   6.951)  ( 11.181,   1.055,   6.956)  ( 0.05,  0.32,  0.08)
185:     torsion ( -3.889,  38.685,   2.208)  ( -3.889,  38.685,   2.208)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.559,  15.821,  27.823)  ( -1.558,  15.821,  27.823)  ( 0.05,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       ( 12.880,  -1.499,  -9.262)  ( 12.896,  -1.500,  -9.241)  ( 0.13,  0.08,  0.23)
185:     bond    ( 16.396,  -0.223,  -1.751)  ( 16.411,  -0.223,  -1.751)  ( 0.09,  0.00,  0.01)
185:     angle   ( -0.183,  -3.658,  -1.246)  ( -0.183,  -3.654,  -1.246)  ( 0.00,  0.10,  0.03)
185:     torsion ( -0.658,   2.290,  -6.462)  ( -0.658,   2.290,  -6.457)  ( 0.00,  0.03,  0.07)
185:     oop     ( -0.010,   0.033,  -0.096)  ( -0.008,   0.028,  -0.080)  ( 0.00,  0.02,  0.16)
185:     vdw     ( -2.666,   0.060,   0.293)  ( -2.666,   0.060,   0.293)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (  1.682, -17.045,   4.237)  (  1.691, -17.045,   4.278)  ( 0.55,  0.00,  0.97)
185:     bond    (  7.488, -13.781,  -5.274)  (  7.491, -13.770,  -5.272)  ( 0.04,  0.08,  0.03)
185:     angle   ( -4.769,  -2.422,  -0.447)  ( -4.766,  -2.421,  -0.447)  ( 0.07,  0.03,  0.00)
185:     torsion (  0.762,  -3.146,   9.292)  (  0.762,  -3.145,   9.297)  ( 0.00,  0.02,  0.05)
185:     oop     ( -0.016,   0.071,  -0.208)  ( -0.013,   0.059,  -0.173)  ( 0.00,  0.08,  0.73)
185:     vdw     ( -1.782,   2.233,   0.873)  ( -1.782,   2.233,   0.873)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (-13.474, -16.279,   2.644)  (-13.472, -16.245,   2.585)  ( 0.02,  0.21,  2.24)
185:     bond    ( -8.186, -13.103,  -3.777)  ( -8.182, -13.093,  -3.776)  ( 0.05,  0.08,  0.02)
185:     angle   ( 16.163,  -8.868,  -4.283)  ( 16.166,  -8.867,  -4.283)  ( 0.02,  0.01,  0.01)
185:     torsion (  1.541,  -5.826,  16.856)  (  1.541,  -5.826,  16.860)  ( 0.00,  0.01,  0.03)
185:     oop     (  0.033,  -0.137,   0.403)  (  0.028,  -0.115,   0.337)  ( 0.02,  0.30,  2.62)
185:     vdw     (-23.026,  11.655,  -6.553)  (-23.025,  11.655,  -6.553)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (  1.702,  16.175, -14.981)  (  1.724,  16.112, -14.751)  ( 1.32,  0.39,  1.54)
185:     bond    ( -5.820,  11.039,   4.124)  ( -5.817,  11.050,   4.125)  ( 0.05,  0.10,  0.04)
185:     angle   ( 12.767,   6.308,   1.110)  ( 12.770,   6.308,   1.110)  ( 0.03,  0.01,  0.00)
185:     torsion ( -1.134,   5.864, -17.312)  ( -1.134,   5.864, -17.307)  ( 0.00,  0.01,  0.03)
185:     oop     ( -0.098,   0.449,  -1.342)  ( -0.082,   0.374,  -1.117)  ( 0.16,  3.39, 16.73)
185:     vdw     ( -4.012,  -7.485,  -1.562)  ( -4.012,  -7.485,  -1.562)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       (  7.581,  16.776, -20.433)  (  7.594,  16.772, -20.382)  ( 0.16,  0.02,  0.25)
185:     bond    (  8.737,  13.297,   3.406)  (  8.741,  13.307,   3.407)  ( 0.05,  0.08,  0.02)
185:     angle   (  2.916,  -1.685,  -0.910)  (  2.919,  -1.685,  -0.910)  ( 0.10,  0.06,  0.02)
185:     torsion ( -2.476,   7.286, -22.114)  ( -2.476,   7.286, -22.110)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.031,   0.090,  -0.274)  ( -0.026,   0.076,  -0.229)  ( 0.02,  0.13,  1.23)
185:     vdw     ( -1.565,  -2.212,  -0.540)  ( -1.565,  -2.212,  -0.540)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 40       ( 32.749,  16.958, -149.806)  ( 32.672,  16.278, -149.079)  ( 0.23,  4.01,  0.49)
185:     bond    ( 33.459, -55.246, -49.387)  ( 33.463, -55.235, -49.378)  ( 0.01,  0.02,  0.02)
185:     angle   (-26.229,  -1.697, -15.875)  (-26.224,  -1.697, -15.874)  ( 0.02,  0.03,  0.01)
185:     torsion ( 34.711,  62.839, -46.773)  ( 34.711,  62.841, -46.772)  ( 0.00,  0.00,  0.00)
185:     oop     (  0.596,   4.195,  -4.289)  (  0.509,   3.503,  -3.573)  ( 5.14, 16.51, 16.70)
185:     vdw     ( -9.787,   6.866, -33.483)  ( -9.786,   6.867, -33.482)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 41       (-65.197, -69.425, -57.284)  (-65.175, -69.429, -57.385)  ( 0.03,  0.01,  0.18)
185:     bond    ( 10.154,  -5.855,   1.667)  ( 10.165,  -5.852,   1.667)  ( 0.11,  0.06,  0.01)
185:     angle   (-38.237, -64.749,   5.881)  (-38.236, -64.745,   5.881)  ( 0.00,  0.01,  0.00)
185:     torsion (  7.173, -12.413, -87.325)  (  7.173, -12.413, -87.319)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.035,   0.067,   0.450)  ( -0.027,   0.051,   0.343)  ( 0.03,  0.10,  4.83)
185:     vdw     (-44.252,  13.526,  22.043)  (-44.251,  13.530,  22.043)  ( 0.00,  0.03,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 42       ( 12.007,   0.809, -50.538)  ( 12.023,   0.815, -50.506)  ( 0.13,  0.46,  0.06)
185:     bond    (  0.960,  -0.653,  -0.220)  (  0.970,  -0.649,  -0.219)  ( 0.96,  0.29,  0.01)
185:     angle   ( 19.290,  28.705,   0.377)  ( 19.291,  28.708,   0.377)  ( 0.01,  0.01,  0.00)
185:     torsion (-10.675,   8.352, -71.968)  (-10.675,   8.352, -71.964)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.024,   0.019,  -0.163)  ( -0.020,   0.016,  -0.137)  ( 0.01,  0.01,  0.43)
185:     vdw     (  2.457, -35.613,  21.436)  (  2.457, -35.612,  21.436)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 43       ( 12.317,   5.787,  17.733)  ( 12.331,   5.792,  17.749)  ( 0.12,  0.08,  0.09)
185:     bond    ( 14.478,   6.220,  -0.840)  ( 14.490,   6.223,  -0.840)  ( 0.09,  0.04,  0.01)
185:     angle   ( -1.288,   3.054,   0.437)  ( -1.288,   3.058,   0.437)  ( 0.05,  0.11,  0.00)
185:     torsion (  1.897,  -1.940,  18.353)  (  1.897,  -1.940,  18.358)  ( 0.00,  0.00,  0.03)
185:     oop     ( -0.007,   0.007,  -0.068)  ( -0.006,   0.006,  -0.057)  ( 0.00,  0.00,  0.08)
185:     vdw     ( -2.763,  -1.555,  -0.150)  ( -2.763,  -1.555,  -0.150)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 44       ( -4.598,  11.285,  10.406)  ( -4.591,  11.297,  10.440)  ( 0.16,  0.10,  0.33)
185:     bond    (  1.748,  14.035,   1.261)  (  1.748,  14.050,   1.262)  ( 0.02,  0.10,  0.01)
185:     angle   ( -6.788,   0.776,   0.761)  ( -6.784,   0.776,   0.761)  ( 0.06,  0.00,  0.00)
185:     torsion (  0.817,  -0.896,   8.840)  (  0.817,  -0.896,   8.845)  ( 0.00,  0.01,  0.06)
185:     oop     ( -0.016,   0.017,  -0.169)  ( -0.014,   0.014,  -0.140)  ( 0.00,  0.01,  0.49)
185:     vdw     ( -0.359,  -2.647,  -0.287)  ( -0.358,  -2.647,  -0.287)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 45       (-18.905,   0.809, -12.324)  (-18.899,   0.821, -12.374)  ( 0.03,  1.03,  0.41)
185:     bond    (-14.221,  10.344,   2.191)  (-14.211,  10.350,   2.191)  ( 0.07,  0.05,  0.01)
185:     angle   ( -5.224,  -7.145,  -0.135)  ( -5.222,  -7.142,  -0.135)  ( 0.03,  0.04,  0.00)
185:     torsion ( -1.335,   1.208, -14.366)  ( -1.335,   1.208, -14.361)  ( 0.00,  0.00,  0.04)
185:     oop     (  0.031,  -0.028,   0.331)  (  0.026,  -0.023,   0.275)  ( 0.02,  0.01,  1.85)
185:     vdw     (  1.844,  -3.571,  -0.344)  (  1.844,  -3.571,  -0.344)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 46       (-28.919, -53.589, -18.437)  (-28.911, -53.576, -18.487)  ( 0.02,  0.02,  0.27)
185:     bond    (-13.365,  -4.730,   1.249)  (-13.352,  -4.729,   1.249)  ( 0.10,  0.04,  0.01)
185:     angle   (-15.396,  44.841,   5.200)  (-15.395,  44.844,   5.200)  ( 0.00,  0.01,  0.00)
185:     torsion ( -0.655,   0.154,  -6.424)  ( -0.655,   0.154,  -6.419)  ( 0.00,  0.00,  0.08)
185:     oop     (  0.042,  -0.025,   0.355)  (  0.036,  -0.022,   0.301)  ( 0.03,  0.01,  1.93)
185:     vdw     (  0.455, -93.828, -18.818)  (  0.455, -93.825, -18.818)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 47       (-26.566,  25.212, -28.839)  (-26.560,  25.217, -28.827)  ( 0.02,  0.02,  0.04)
185:     bond    (-11.055,  -3.483, -22.909)  (-11.053,  -3.483, -22.898)  ( 0.02,  0.00,  0.05)
185:     angle   ( -7.141,   8.375,   2.171)  ( -7.139,   8.379,   2.171)  ( 0.04,  0.04,  0.03)
185:     torsion ( -7.520,  25.795,  -0.294)  ( -7.519,  25.796,  -0.294)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.850,  -5.475,  -7.806)  ( -0.850,  -5.475,  -7.806)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 48       (-24.351, -25.990,   1.795)  (-24.340, -25.984,   1.798)  ( 0.05,  0.02,  0.15)
185:     bond    (-45.915, -22.615,  -5.946)  (-45.904, -22.612,  -5.946)  ( 0.02,  0.01,  0.00)
185:     angle   ( 15.706, -30.909,  -3.723)  ( 15.707, -30.907,  -3.721)  ( 0.00,  0.01,  0.06)
185:     torsion (  6.875, -19.736,  21.983)  (  6.875, -19.736,  21.983)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.017,  47.271, -10.519)  ( -1.016,  47.272, -10.519)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 49       ( 36.796,  11.520,  38.836)  ( 36.800,  11.522,  38.849)  ( 0.01,  0.02,  0.03)
185:     bond    ( 11.190,  -1.507,  41.064)  ( 11.191,  -1.507,  41.077)  ( 0.01,  0.01,  0.03)
185:     angle   ( 17.459, -15.585,  -5.329)  ( 17.462, -15.583,  -5.329)  ( 0.01,  0.01,  0.00)
185:     torsion ( 12.306,  23.863,  -2.477)  ( 12.306,  23.864,  -2.477)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.159,   4.748,   5.578)  ( -4.159,   4.748,   5.579)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 50       (-29.076,  33.154, -18.847)  (-29.072,  33.167, -18.843)  ( 0.01,  0.04,  0.02)
185:     bond    ( -5.456,  33.426,  -8.494)  ( -5.455,  33.439,  -8.494)  ( 0.00,  0.04,  0.01)
185:     angle   ( 32.312,   2.037, -12.737)  ( 32.315,   2.037, -12.735)  ( 0.01,  0.01,  0.02)
185:     torsion (-18.145,  -7.077, -16.210)  (-18.144,  -7.077, -16.209)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-37.788,   4.768,  18.595)  (-37.787,   4.768,  18.595)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 51       (-10.073,  11.672, -43.302)  (-10.064,  11.676, -43.294)  ( 0.08,  0.04,  0.02)
185:     bond    ( 31.678, -13.145, -36.411)  ( 31.683, -13.145, -36.404)  ( 0.02,  0.01,  0.02)
185:     angle   ( -1.895, -34.657,  10.864)  ( -1.893, -34.655,  10.865)  ( 0.07,  0.01,  0.01)
185:     torsion (  7.134,  -5.604,   8.233)  (  7.135,  -5.604,   8.233)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-46.990,  65.079, -25.988)  (-46.989,  65.080, -25.988)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 52       (-13.218,  31.397, -25.916)  (-13.213,  31.408, -25.912)  ( 0.04,  0.04,  0.01)
185:     bond    (-13.699,  29.311, -10.293)  (-13.697,  29.322, -10.292)  ( 0.02,  0.04,  0.01)
185:     angle   (-26.614,  -9.753,   7.628)  (-26.611,  -9.752,   7.630)  ( 0.01,  0.01,  0.02)
185:     torsion (  0.561,  -1.856,  -6.034)  (  0.561,  -1.856,  -6.034)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 26.533,  13.695, -17.217)  ( 26.534,  13.695, -17.217)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 53       (  4.736,  13.131,  39.313)  (  4.742,  13.134,  39.324)  ( 0.12,  0.03,  0.03)
185:     bond    ( 21.570,   8.503,  35.884)  ( 21.574,   8.504,  35.894)  ( 0.02,  0.00,  0.03)
185:     angle   ( -3.708, -26.999,   8.623)  ( -3.707, -26.997,   8.624)  ( 0.04,  0.01,  0.01)
185:     torsion ( -2.608,   2.873,   0.887)  ( -2.608,   2.873,   0.887)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.518,  28.753,  -6.080)  (-10.518,  28.754,  -6.080)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 54       ( 72.754,   0.873, -14.533)  ( 72.760,   0.880, -14.521)  ( 0.01,  0.58,  0.08)
185:     bond    (  1.977,  20.116, -45.686)  (  1.977,  20.119, -45.674)  ( 0.01,  0.01,  0.03)
185:     angle   ( 13.749,  30.884,  14.200)  ( 13.753,  30.886,  14.200)  ( 0.03,  0.01,  0.00)
185:     torsion (  2.619,   9.092,   4.119)  (  2.620,   9.093,   4.119)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 54.409, -59.219,  12.834)  ( 54.410, -59.218,  12.834)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 55       ( 43.347,  21.559,  39.370)  ( 43.352,  21.568,  39.378)  ( 0.01,  0.04,  0.02)
185:     bond    ( -2.040,  32.043,  31.725)  ( -2.040,  32.050,  31.732)  ( 0.01,  0.02,  0.02)
185:     angle   ( 35.192,  14.594, -12.480)  ( 35.196,  14.595, -12.479)  ( 0.01,  0.01,  0.01)
185:     torsion ( -0.882,  -8.652,   8.681)  ( -0.882,  -8.651,   8.681)  ( 0.02,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.077, -16.427,  11.443)  ( 11.078, -16.426,  11.443)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 56       ( 20.739, -16.581,  38.050)  ( 20.744, -16.575,  38.062)  ( 0.02,  0.04,  0.03)
185:     bond    ( -1.456, -14.668,  26.526)  ( -1.456, -14.665,  26.536)  ( 0.01,  0.02,  0.04)
185:     angle   ( -7.505,  -1.343,  -1.153)  ( -7.502,  -1.341,  -1.153)  ( 0.04,  0.13,  0.05)
185:     torsion ( 12.012,  -6.112,  -2.718)  ( 12.012,  -6.111,  -2.718)  ( 0.00,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 17.689,   5.542,  15.396)  ( 17.690,   5.543,  15.396)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 57       ( -9.513, -10.340, -51.789)  ( -9.509, -10.332, -51.780)  ( 0.05,  0.08,  0.02)
185:     bond    (  1.529, -22.811, -24.383)  (  1.529, -22.804, -24.376)  ( 0.01,  0.03,  0.03)
185:     angle   (  2.795,   3.734,  -3.320)  (  2.799,   3.735,  -3.319)  ( 0.12,  0.03,  0.03)
185:     torsion (-11.027,  11.386, -11.344)  (-11.027,  11.386, -11.344)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -2.810,  -2.650, -12.741)  ( -2.809,  -2.649, -12.741)  ( 0.04,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 58       (  7.764,  -8.888, -82.637)  (  7.767,  -8.880, -82.625)  ( 0.04,  0.09,  0.01)
185:     bond    (  0.583,  21.754, -28.028)  (  0.582,  21.759, -28.020)  ( 0.01,  0.02,  0.03)
185:     angle   ( -6.302,  -6.960,  -5.535)  ( -6.299,  -6.957,  -5.534)  ( 0.05,  0.03,  0.03)
185:     torsion ( 11.584,  -9.359,  -7.027)  ( 11.585,  -9.359,  -7.027)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.899, -14.323, -42.046)  (  1.899, -14.323, -42.045)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 59       ( 15.771, -54.382,  11.456)  ( 15.776, -54.374,  11.464)  ( 0.03,  0.01,  0.07)
185:     bond    ( -2.380, -21.430,  23.359)  ( -2.380, -21.424,  23.366)  ( 0.00,  0.03,  0.03)
185:     angle   ( -0.520,   6.883,   6.258)  ( -0.517,   6.884,   6.259)  ( 0.17,  0.02,  0.02)
185:     torsion ( 20.490, -19.643, -15.922)  ( 20.490, -19.642, -15.922)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.819, -20.193,  -2.239)  ( -1.818, -20.192,  -2.239)  ( 0.05,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 60       (-20.601,  -1.270, -45.454)  (-20.596,  -1.265, -45.443)  ( 0.02,  0.41,  0.02)
185:     bond    ( -2.300, -15.456, -26.859)  ( -2.300, -15.452, -26.849)  ( 0.00,  0.02,  0.04)
185:     angle   ( 20.424,  -0.699,  -1.349)  ( 20.427,  -0.698,  -1.348)  ( 0.02,  0.12,  0.04)
185:     torsion (-15.240,  28.309, -14.988)  (-15.239,  28.309, -14.987)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-23.486, -13.424,  -2.259)  (-23.484, -13.424,  -2.259)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 61       (-36.188,  29.042, -85.024)  (-36.183,  29.055, -85.019)  ( 0.01,  0.04,  0.01)
185:     bond    ( -2.350,  35.403, -10.280)  ( -2.350,  35.416, -10.279)  ( 0.00,  0.04,  0.01)
185:     angle   ( -5.201,  -7.746, -25.504)  ( -5.198,  -7.746, -25.500)  ( 0.06,  0.00,  0.01)
185:     torsion (-15.969, -16.076, -51.740)  (-15.969, -16.077, -51.740)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-12.668,  17.462,   2.500)  (-12.667,  17.462,   2.500)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 62       (-15.019, -62.910, -10.944)  (-15.015, -62.898, -10.940)  ( 0.03,  0.02,  0.04)
185:     bond    (  9.749, -31.825,  15.219)  (  9.750, -31.815,  15.221)  ( 0.01,  0.03,  0.01)
185:     angle   ( -8.627,   5.965,  17.990)  ( -8.625,   5.965,  17.993)  ( 0.03,  0.01,  0.01)
185:     torsion (-15.181, -21.195, -34.574)  (-15.181, -21.194, -34.575)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.960, -15.855,  -9.579)  ( -0.960, -15.854,  -9.579)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 63       (-28.471,  30.602, -47.591)  (-28.466,  30.605, -47.578)  ( 0.02,  0.01,  0.03)
185:     bond    (-13.150,  -6.799, -35.271)  (-13.148,  -6.799, -35.260)  ( 0.01,  0.00,  0.03)
185:     angle   (-17.889,  11.898,   4.374)  (-17.886,  11.901,   4.375)  ( 0.01,  0.02,  0.01)
185:     torsion ( -4.815,  38.873,  -5.700)  ( -4.815,  38.873,  -5.700)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.383, -13.370, -10.993)  (  7.384, -13.369, -10.993)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 64       ( 12.189,  96.663, -26.883)  ( 12.188,  96.685, -26.877)  ( 0.00,  0.02,  0.02)
185:     bond    (  8.251,  84.539, -22.501)  (  8.251,  84.561, -22.500)  ( 0.00,  0.03,  0.00)
185:     angle   (  2.144, -11.923, -44.028)  (  2.144, -11.923, -44.025)  ( 0.00,  0.00,  0.01)
185:     torsion (  0.474,  -0.037,   0.033)  (  0.474,  -0.037,   0.033)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.319,  24.085,  39.613)  (  1.319,  24.085,  39.614)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 65       (-284.611,  11.023, 333.937)  (-284.581,  11.023, 333.948)  ( 0.01,  0.00,  0.00)
185:     bond    (  9.512,   1.540,  -0.214)  (  9.534,   1.541,  -0.214)  ( 0.24,  0.04,  0.00)
185:     angle   ( -0.345,   0.715, -10.236)  ( -0.345,   0.715, -10.232)  ( 0.00,  0.00,  0.04)
185:     torsion ( -0.025,   0.154,   0.012)  ( -0.025,   0.154,   0.012)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-293.753,   8.613, 344.376)  (-293.745,   8.613, 344.383)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 14 # gradients 
185: ok 15 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (301.772, 181.352,  45.300)  (301.694, 180.986,  45.998)  ( 0.03,  0.20,  1.54)
185:     bond    ( -1.833,  -0.557,  -0.639)  ( -1.799,  -0.537,  -0.631)  ( 1.87,  1.12,  0.49)
185:     angle   (290.509, 137.927, 119.299)  (290.523, 137.938, 119.304)  ( 0.00,  0.01,  0.00)
185:     torsion ( 12.278,  42.204, -69.671)  ( 12.279,  42.210, -69.655)  ( 0.00,  0.01,  0.02)
185:     oop     (  0.666,   2.233,  -3.691)  (  0.540,   1.829,  -3.022)  ( 8.41, 18.09, 18.14)
185:     vdw     (  0.152,  -0.454,   0.002)  (  0.152,  -0.454,   0.002)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-247.311, -31.248,  77.114)  (-247.151, -30.869,  76.570)  ( 0.06,  1.21,  0.70)
185:     bond    (  2.768,   2.470,   2.169)  (  2.795,   2.489,   2.176)  ( 0.97,  0.79,  0.33)
185:     angle   (-228.121,  23.105, -12.124)  (-228.109,  23.115, -12.121)  ( 0.01,  0.04,  0.03)
185:     torsion (-18.738, -51.579,  86.865)  (-18.737, -51.574,  86.881)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.643,  -1.871,   3.129)  ( -0.523,  -1.527,   2.559)  ( 7.71, 18.39, 18.22)
185:     vdw     ( -2.578,  -3.373,  -2.925)  ( -2.577,  -3.373,  -2.925)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 53.994, 107.586, -72.680)  ( 53.960, 107.403, -72.295)  ( 0.06,  0.17,  0.53)
185:     bond    (  4.664,  -1.988,  -0.584)  (  4.689,  -1.967,  -0.575)  ( 0.53,  1.05,  0.52)
185:     angle   ( 30.408,  40.045,  38.844)  ( 30.422,  40.056,  38.849)  ( 0.05,  0.03,  0.01)
185:     torsion ( 23.917,  67.645, -110.408)  ( 23.918,  67.650, -110.396)  ( 0.00,  0.01,  0.01)
185:     oop     (  0.405,   1.150,  -1.877)  (  0.331,   0.931,  -1.519)  ( 3.03, 19.03, 19.05)
185:     vdw     ( -5.400,   0.733,   1.346)  ( -5.400,   0.733,   1.346)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-219.542, -42.542, -106.540)  (-219.533, -42.595, -106.018)  ( 0.00,  0.13,  0.49)
185:     bond    (  9.694,   0.197,   1.892)  (  9.728,   0.218,   1.902)  ( 0.34,  0.41,  0.51)
185:     angle   (-225.909, -61.230, -28.678)  (-225.892, -61.214, -28.674)  ( 0.01,  0.03,  0.01)
185:     torsion (  5.825,  17.750, -74.597)  (  5.826,  17.757, -74.582)  ( 0.01,  0.04,  0.02)
185:     oop     (  0.187,   0.512,  -1.976)  (  0.145,   0.414,  -1.483)  ( 0.77,  4.98, 24.96)
185:     vdw     ( -9.340,   0.229,  -3.180)  ( -9.339,   0.229,  -3.180)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-103.988, -378.716, -28.757)  (-103.811, -378.276, -29.357)  ( 0.17,  0.12,  2.09)
185:     bond    (  5.906,  -1.531,   0.403)  (  5.943,  -1.502,   0.415)  ( 0.63,  1.85,  0.49)
185:     angle   (-74.604, -284.643, -178.344)  (-74.592, -284.628, -178.339)  ( 0.02,  0.01,  0.00)
185:     torsion (-28.510, -93.641, 147.850)  (-28.509, -93.635, 147.866)  ( 0.00,  0.01,  0.01)
185:     oop     ( -0.683,  -2.271,   3.669)  ( -0.556,  -1.881,   3.036)  ( 8.64, 17.19, 17.27)
185:     vdw     ( -6.097,   3.370,  -2.335)  ( -6.097,   3.371,  -2.335)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (234.949,  78.410, 194.466)  (235.045,  78.340, 193.137)  ( 0.04,  0.09,  0.68)
185:     bond    (-10.131,  -0.808,   0.668)  (-10.097,  -0.779,   0.668)  ( 0.34,  2.32,  0.03)
185:     angle   (234.241,  52.030,  46.614)  (234.258,  52.048,  46.615)  ( 0.01,  0.04,  0.00)
185:     torsion (  0.764,  25.463, 141.630)  (  0.765,  25.465, 141.650)  ( 0.02,  0.01,  0.01)
185:     oop     ( -0.150,   0.547,   6.594)  ( -0.106,   0.427,   5.244)  ( 0.65,  6.52, 20.47)
185:     vdw     ( 10.225,   1.178,  -1.039)  ( 10.225,   1.178,  -1.039)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (103.309, 319.286, -232.860)  (103.306, 319.605, -231.042)  ( 0.00,  0.10,  0.78)
185:     bond    ( -5.496,   0.840,  -0.583)  ( -5.457,   0.878,  -0.582)  ( 0.70,  3.22,  0.04)
185:     angle   ( 99.415, 352.868, -36.595)  ( 99.427, 352.888, -36.595)  ( 0.01,  0.01,  0.00)
185:     torsion (  2.400, -30.742, -183.519)  (  2.401, -30.741, -183.498)  ( 0.01,  0.00,  0.01)
185:     oop     (  0.033,  -1.277,  -9.904)  ( -0.021,  -1.017,  -8.109)  ( 0.18, 20.38, 18.12)
185:     vdw     (  6.957,  -2.403,  -2.258)  (  6.957,  -2.403,  -2.258)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-313.516, -162.733, 107.280)  (-313.485, -162.746, 106.724)  ( 0.01,  0.01,  0.52)
185:     bond    (  1.436,   0.669,  -0.084)  (  1.470,   0.696,  -0.084)  ( 2.43,  1.81,  0.00)
185:     angle   (-316.967, -170.821,  23.120)  (-316.952, -170.805,  23.121)  ( 0.00,  0.01,  0.00)
185:     torsion (  2.083,   6.673,  80.649)  (  2.083,   6.673,  80.671)  ( 0.00,  0.00,  0.03)
185:     oop     (  0.128,   0.337,   3.437)  (  0.110,   0.281,   2.859)  ( 0.23,  1.88, 16.84)
185:     vdw     ( -0.195,   0.410,   0.157)  ( -0.195,   0.410,   0.157)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (239.221, -18.397,  66.490)  (239.245, -18.405,  66.061)  ( 0.01,  0.05,  0.65)
185:     bond    ( -2.872,  -3.159,   0.473)  ( -2.844,  -3.133,   0.474)  ( 0.96,  0.82,  0.01)
185:     angle   (236.450, -26.016,   1.239)  (236.462, -26.003,   1.239)  ( 0.01,  0.05,  0.03)
185:     torsion (  2.401,   6.602,  63.163)  (  2.401,   6.602,  63.184)  ( 0.00,  0.00,  0.03)
185:     oop     (  0.090,   0.271,   2.597)  (  0.073,   0.223,   2.146)  ( 0.15,  1.31, 17.36)
185:     vdw     (  3.153,   3.905,  -0.983)  (  3.153,   3.905,  -0.983)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-58.372, -59.689, -117.312)  (-58.318, -59.555, -116.461)  ( 0.09,  0.22,  0.72)
185:     bond    ( -4.647,   1.930,  -0.560)  ( -4.622,   1.958,  -0.559)  ( 0.55,  1.48,  0.03)
185:     angle   (-52.538, -44.247,  17.989)  (-52.523, -44.233,  17.990)  ( 0.03,  0.03,  0.01)
185:     torsion ( -6.022, -15.499, -132.273)  ( -6.022, -15.498, -132.259)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.077,  -0.470,  -4.290)  ( -0.064,  -0.379,  -3.455)  ( 0.10,  4.29, 19.46)
185:     vdw     (  4.912,  -1.402,   1.822)  (  4.913,  -1.402,   1.822)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (-151.248, -155.360,  -2.039)  (-151.224, -155.355,  -2.266)  ( 0.02,  0.00, 11.15)
185:     bond    (  0.883,   8.752,  -1.624)  (  0.901,   8.774,  -1.606)  ( 1.55,  0.24,  1.12)
185:     angle   (-164.678, -149.716,  -0.681)  (-164.668, -149.706,  -0.675)  ( 0.01,  0.01,  0.40)
185:     torsion ( 10.920,  -5.505,  -3.117)  ( 10.918,  -5.505,  -3.116)  ( 0.01,  0.01,  0.03)
185:     oop     (  0.013,   0.092,   0.954)  (  0.011,   0.067,   0.702)  ( 0.00,  0.23, 24.07)
185:     vdw     (  1.614,  -8.984,   2.429)  (  1.614,  -8.984,   2.429)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       ( 13.751, -24.647, -39.803)  ( 13.766, -24.624, -39.582)  ( 0.11,  0.09,  0.56)
185:     bond    ( -0.858,  -0.484,   0.045)  ( -0.847,  -0.480,   0.045)  ( 0.97,  0.18,  0.00)
185:     angle   ( 11.796, -20.447,   3.862)  ( 11.797, -20.444,   3.862)  ( 0.01,  0.02,  0.01)
185:     torsion ( -0.709,  -2.781, -43.150)  ( -0.709,  -2.781, -43.144)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.009,  -0.053,  -0.741)  ( -0.007,  -0.037,  -0.525)  ( 0.00,  0.09, 15.98)
185:     vdw     (  3.531,  -0.882,   0.180)  (  3.531,  -0.882,   0.180)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-34.984, -37.445,  -8.191)  (-34.968, -37.411,  -7.953)  ( 0.05,  0.09,  2.90)
185:     bond    ( -2.120,   1.944,  -0.158)  ( -2.112,   1.950,  -0.158)  ( 0.38,  0.35,  0.00)
185:     angle   (-35.398, -37.804,   6.546)  (-35.397, -37.802,   6.545)  ( 0.00,  0.01,  0.00)
185:     torsion ( -0.309,  -1.427, -13.490)  ( -0.309,  -1.427, -13.484)  ( 0.00,  0.01,  0.04)
185:     oop     ( -0.021,  -0.100,  -0.952)  ( -0.015,  -0.075,  -0.719)  ( 0.01,  0.25, 22.11)
185:     vdw     (  2.865,  -0.058,  -0.137)  (  2.865,  -0.058,  -0.137)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (166.639, 130.450,  95.534)  (166.694, 130.564,  95.423)  ( 0.03,  0.09,  0.12)
185:     bond    ( -0.427,  -7.502,  -4.745)  ( -0.410,  -7.481,  -4.726)  ( 0.73,  0.28,  0.40)
185:     angle   (171.435, 135.443,  86.513)  (171.445, 135.451,  86.520)  ( 0.01,  0.01,  0.01)
185:     torsion ( -1.753,  -4.467,   7.534)  ( -1.753,  -4.466,   7.537)  ( 0.01,  0.02,  0.03)
185:     oop     ( -0.107,  -0.320,   0.527)  ( -0.079,  -0.235,   0.388)  ( 0.30,  2.71,  7.32)
185:     vdw     ( -2.509,   7.296,   5.704)  ( -2.508,   7.296,   5.704)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (-13.714,  13.703,  11.933)  (-13.644,  13.889,  11.645)  ( 0.51,  1.35,  2.42)
185:     bond    (  0.886,   0.415,   0.424)  (  0.896,   0.417,   0.427)  ( 0.92,  0.09,  0.10)
185:     angle   (-10.001,  17.493,   3.901)  ( -9.999,  17.496,   3.901)  ( 0.01,  0.01,  0.01)
185:     torsion ( -1.208,  -4.254,   6.691)  ( -1.207,  -4.253,   6.695)  ( 0.01,  0.04,  0.07)
185:     oop     ( -0.196,  -0.624,   1.022)  ( -0.139,  -0.445,   0.726)  ( 1.13, 11.17, 28.95)
185:     vdw     ( -3.195,   0.674,  -0.104)  ( -3.195,   0.674,  -0.104)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       ( 32.568,  31.600,  21.423)  ( 32.536,  31.483,  21.634)  ( 0.10,  0.37,  0.98)
185:     bond    (  2.020,  -1.650,  -0.589)  (  2.029,  -1.644,  -0.588)  ( 0.43,  0.34,  0.04)
185:     angle   ( 32.320,  30.184,  27.103)  ( 32.321,  30.186,  27.104)  ( 0.00,  0.00,  0.00)
185:     torsion (  0.868,   2.390,  -3.694)  (  0.868,   2.391,  -3.690)  ( 0.01,  0.06,  0.11)
185:     oop     (  0.170,   0.510,  -0.839)  (  0.128,   0.384,  -0.634)  ( 0.72,  6.42, 17.23)
185:     vdw     ( -2.810,   0.165,  -0.558)  ( -2.810,   0.166,  -0.558)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       ( 83.517,  16.992, -11.075)  ( 83.468,  16.852, -10.802)  ( 0.06,  0.82,  2.46)
185:     bond    ( -0.553,   4.541,   2.614)  ( -0.553,   4.557,   2.619)  ( 0.01,  0.36,  0.21)
185:     angle   ( 82.083,  -0.222,  17.717)  ( 82.087,  -0.222,  17.717)  ( 0.01,  0.00,  0.00)
185:     torsion (  5.269,  15.175, -25.296)  (  5.270,  15.177, -25.292)  ( 0.00,  0.01,  0.02)
185:     oop     (  0.230,   0.713,  -1.192)  (  0.176,   0.555,  -0.929)  ( 1.25, 11.24, 22.05)
185:     vdw     ( -3.512,  -3.215,  -4.917)  ( -3.512,  -3.215,  -4.917)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (-90.967,  16.173, 118.304)  (-90.929,  16.057, 117.521)  ( 0.04,  0.72,  0.66)
185:     bond    (  0.210,  -4.745,   0.834)  (  0.210,  -4.724,   0.834)  ( 0.00,  0.45,  0.06)
185:     angle   (-93.772,  -4.843,  -3.809)  (-93.768,  -4.843,  -3.809)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.467,  21.186, 120.314)  ( -1.467,  21.186, 120.320)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.035,   0.621,   3.525)  ( -0.002,   0.483,   2.736)  ( 0.12,  8.56, 22.38)
185:     vdw     (  4.097,   3.955,  -2.560)  (  4.097,   3.955,  -2.560)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (-87.215, -43.200, -51.128)  (-87.208, -43.194, -51.123)  ( 0.01,  0.01,  0.01)
185:     bond    ( -0.306,   0.292,   0.237)  ( -0.301,   0.298,   0.240)  ( 0.16,  0.15,  0.08)
185:     angle   (-88.178, -61.843, -33.686)  (-88.176, -61.842, -33.684)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.338,  15.260, -20.588)  ( -1.338,  15.260, -20.588)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.607,   3.090,   2.908)  (  2.607,   3.090,   2.908)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-27.197, -58.402,  -2.711)  (-27.190, -58.398,  -2.703)  ( 0.02,  0.01,  0.29)
185:     bond    ( -1.957,   0.921,  -2.164)  ( -1.952,   0.923,  -2.157)  ( 0.29,  0.12,  0.32)
185:     angle   ( -7.421, -59.431, -18.712)  ( -7.420, -59.428, -18.711)  ( 0.01,  0.00,  0.00)
185:     torsion (-18.345,  -1.997,  15.745)  (-18.345,  -1.997,  15.745)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.527,   2.104,   2.420)  (  0.527,   2.104,   2.420)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       ( 11.122, -50.089, -42.997)  ( 11.128, -50.082, -42.990)  ( 0.05,  0.01,  0.02)
185:     bond    ( -1.164,  -1.398,   1.214)  ( -1.160,  -1.393,   1.218)  ( 0.34,  0.40,  0.36)
185:     angle   ( -6.372, -37.992, -49.495)  ( -6.370, -37.991, -49.493)  ( 0.02,  0.00,  0.00)
185:     torsion ( 19.921, -12.925,   4.198)  ( 19.921, -12.925,   4.198)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.263,   2.227,   1.086)  ( -1.263,   2.227,   1.086)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       ( -0.246,  86.674,  -3.924)  ( -0.234,  86.677,  -3.920)  ( 0.28,  0.00,  0.10)
185:     bond    (  2.839,   0.011,  -1.453)  (  2.850,   0.011,  -1.450)  ( 0.39,  0.00,  0.20)
181:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
181:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
181:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
181:     electro (  0.688,  -0.147,   0.070)  (  0.688,  -0.147,   0.070)  ( 0.00,  0.00,  0.00)
181: 13       ( -2.636,  -4.315,  -0.527)  ( -2.633,  -4.310,  -0.502)  ( 0.12,  0.11,  1.28)
181:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
181:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
181:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
181:     electro (  0.537,  -0.904,   0.158)  (  0.537,  -0.904,   0.158)  ( 0.00,  0.00,  0.00)
181: 14       ( 26.387,  19.947,  15.099)  ( 26.412,  20.010,  15.009)  ( 0.09,  0.32,  0.60)
181:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
181:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
181:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
181:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
181:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.120,  -0.020,   0.867)  ( -0.120,  -0.020,   0.867)  ( 0.00,  0.00,  0.00)
181: 15       (  2.734,  -4.218,  -1.241)  (  2.755,  -4.158,  -1.336)  ( 0.79,  1.41,  7.69)
181:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
181:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
181:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.672,   0.127,   0.003)  ( -0.672,   0.127,   0.003)  ( 0.00,  0.00,  0.00)
181: 16       (  2.391,   3.742,   2.202)  (  2.389,   3.731,   2.224)  ( 0.08,  0.30,  0.99)
181:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
181:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
181:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
181:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.582,   0.770,   0.440)  ( -0.582,   0.770,   0.440)  ( 0.00,  0.00,  0.00)
181: 17       ( 12.700,  29.735,  18.160)  ( 12.714,  29.776,  18.099)  ( 0.11,  0.14,  0.34)
181:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
181:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
185:     angle   ( -1.405,  90.865,  -2.095)  ( -1.405,  90.868,  -2.094)  ( 0.03,  0.00,  0.07)
185:     torsion ( -1.193,   0.324,  -2.342)  ( -1.193,   0.324,  -2.343)  ( 0.01,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.486,  -4.526,   1.966)  ( -0.486,  -4.526,   1.966)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( 29.339,  28.487, -18.032)  ( 29.341,  28.492, -18.020)  ( 0.01,  0.02,  0.07)
185:     bond    (  0.383,   0.838,   1.790)  (  0.383,   0.841,   1.801)  ( 0.02,  0.20,  0.61)
185:     angle   ( 32.234,  27.224, -19.575)  ( 32.235,  27.226, -19.574)  ( 0.01,  0.01,  0.00)
185:     torsion ( -2.678,   1.270,  -0.022)  ( -2.679,   1.269,  -0.022)  ( 0.02,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.599,  -0.845,  -0.224)  ( -0.599,  -0.845,  -0.224)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( 77.507,  51.153,  -0.184)  ( 77.512,  51.160,  -0.179)  ( 0.01,  0.01,  0.09)
185:     bond    (  0.256,  -0.376,   0.294)  (  0.259,  -0.370,   0.298)  ( 0.08,  0.24,  0.12)
185:     angle   ( 84.291,  51.889,  -9.001)  ( 84.293,  51.890,  -9.000)  ( 0.00,  0.00,  0.01)
185:     torsion ( -4.380,   2.836,   7.322)  ( -4.381,   2.836,   7.322)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -2.659,  -3.197,   1.201)  ( -2.659,  -3.197,   1.201)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 16 # gradients 
185: ok 17 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (298.150,  97.504, -27.328)  (298.201,  97.544, -27.307)  ( 0.02,  0.04,  0.08)
185:     bond    (270.148,  57.230, -74.029)  (270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
185:     angle   ( -0.641,   0.285,  -0.163)  ( -0.629,   0.299,  -0.154)  ( 0.77,  0.40,  0.14)
185:     torsion ( -0.291,   0.285,   0.476)  ( -0.286,   0.290,   0.487)  ( 0.15,  0.15,  0.51)
185:     oop     ( -0.005,   0.008,   0.016)  (  0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 28.939,  39.697,  46.371)  ( 28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       ( -0.049, 281.242, -143.091)  ( -0.000, 281.292, -143.058)  ( 0.24,  0.02,  0.02)
185:     bond    ( -0.026, 223.722, -177.596)  (  0.000, 223.752, -177.591)  ( 0.07,  0.01,  0.00)
185:     angle   ( -0.016,   0.102,  -0.415)  ( -0.000,   0.115,  -0.410)  ( 0.03,  0.14,  0.23)
185:     torsion ( -0.005,  -0.107,  -0.352)  (  0.000,  -0.104,  -0.338)  ( 0.00,  0.03,  0.48)
185:     oop     ( -0.000,  -0.006,  -0.013)  (  0.000,  -0.004,  -0.005)  ( 0.00,  0.00,  0.01)
185:     vdw     ( -0.002,  57.531,  35.285)  ( -0.000,  57.532,  35.285)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( -0.049, -281.337, -143.091)  ( -0.000, -281.292, -143.058)  ( 0.24,  0.02,  0.02)
185:     bond    ( -0.026, -223.783, -177.596)  (  0.000, -223.752, -177.591)  ( 0.07,  0.01,  0.00)
185:     angle   ( -0.016,  -0.129,  -0.415)  ( -0.000,  -0.115,  -0.410)  ( 0.03,  0.17,  0.23)
185:     torsion ( -0.005,   0.101,  -0.352)  ( -0.000,   0.104,  -0.338)  ( 0.00,  0.03,  0.48)
185:     oop     ( -0.000,   0.006,  -0.013)  (  0.000,   0.004,  -0.005)  ( 0.00,  0.00,  0.01)
185:     vdw     ( -0.002, -57.533,  35.285)  ( -0.000, -57.532,  35.285)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (298.150, -97.594, -27.328)  (298.201, -97.544, -27.307)  ( 0.02,  0.05,  0.08)
185:     bond    (270.148, -57.277, -74.029)  (270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
185:     angle   ( -0.641,  -0.313,  -0.163)  ( -0.629,  -0.299,  -0.154)  ( 0.77,  0.44,  0.14)
185:     torsion ( -0.291,  -0.295,   0.476)  ( -0.286,  -0.290,   0.487)  ( 0.15,  0.16,  0.51)
185:     oop     ( -0.005,  -0.008,   0.016)  (  0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 28.939, -39.700,  46.371)  ( 28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-156.771, 186.884, -202.167)  (-156.738, 186.928, -202.126)  ( 0.02,  0.02,  0.02)
185:     bond    (-92.784, 168.051, -212.764)  (-92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
185:     angle   ( -0.061,   0.692,   0.134)  ( -0.050,   0.706,   0.143)  ( 0.07,  0.99,  0.12)
185:     torsion (  0.267,   0.221,  -0.320)  (  0.273,   0.226,  -0.310)  ( 0.16,  0.11,  0.32)
185:     oop     (  0.007,   0.003,  -0.009)  (  0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-64.201,  17.918,  10.792)  (-64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-156.771, -186.980, -202.167)  (-156.738, -186.928, -202.126)  ( 0.02,  0.03,  0.02)
185:     bond    (-92.784, -168.105, -212.764)  (-92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
185:     angle   ( -0.061,  -0.721,   0.134)  ( -0.050,  -0.706,   0.143)  ( 0.07,  1.04,  0.12)
185:     torsion (  0.267,  -0.231,  -0.320)  (  0.273,  -0.226,  -0.310)  ( 0.16,  0.12,  0.32)
185:     oop     (  0.007,  -0.003,  -0.009)  (  0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-64.201, -17.920,  10.792)  (-64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-298.242,  97.504, -27.328)  (-298.201,  97.544, -27.307)  ( 0.01,  0.04,  0.08)
185:     bond    (-270.205,  57.230, -74.029)  (-270.176,  57.253, -74.018)  ( 0.01,  0.04,  0.01)
185:     angle   (  0.617,   0.285,  -0.163)  (  0.629,   0.299,  -0.154)  ( 0.74,  0.40,  0.14)
185:     torsion (  0.281,   0.285,   0.476)  (  0.286,   0.290,   0.487)  ( 0.14,  0.15,  0.51)
185:     oop     (  0.005,   0.008,   0.016)  ( -0.000,   0.003,   0.007)  ( 0.00,  0.00,  0.01)
185:     vdw     (-28.940,  39.697,  46.371)  (-28.940,  39.698,  46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-298.242, -97.594, -27.328)  (-298.201, -97.544, -27.307)  ( 0.01,  0.05,  0.08)
185:     bond    (-270.205, -57.277, -74.029)  (-270.176, -57.253, -74.018)  ( 0.01,  0.04,  0.01)
185:     angle   (  0.617,  -0.313,  -0.163)  (  0.629,  -0.299,  -0.154)  ( 0.74,  0.44,  0.14)
185:     torsion (  0.281,  -0.295,   0.476)  (  0.286,  -0.290,   0.487)  ( 0.14,  0.16,  0.51)
185:     oop     (  0.005,  -0.008,   0.016)  ( -0.000,  -0.003,   0.007)  ( 0.00,  0.00,  0.01)
185:     vdw     (-28.940, -39.700,  46.371)  (-28.940, -39.698,  46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (186.884, 202.096, 156.695)  (186.928, 202.126, 156.738)  ( 0.02,  0.02,  0.03)
185:     bond    (168.051, 212.732,  92.745)  (168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
185:     angle   (  0.692,  -0.152,   0.038)  (  0.706,  -0.143,   0.050)  ( 0.99,  0.14,  0.04)
185:     torsion (  0.221,   0.300,  -0.279)  (  0.226,   0.310,  -0.273)  ( 0.11,  0.30,  0.17)
185:     oop     (  0.003,   0.008,  -0.008)  ( -0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 17.918, -10.793,  64.199)  ( 17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       ( 27.266, 298.150,  97.504)  ( 27.307, 298.201,  97.544)  ( 0.15,  0.02,  0.04)
185:     bond    ( 74.008, 270.148,  57.230)  ( 74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
185:     angle   (  0.145,  -0.641,   0.285)  (  0.154,  -0.629,   0.299)  ( 0.13,  0.77,  0.40)
185:     torsion ( -0.498,  -0.291,   0.285)  ( -0.487,  -0.286,   0.290)  ( 0.53,  0.15,  0.15)
185:     oop     ( -0.016,  -0.005,   0.008)  ( -0.007,   0.000,   0.003)  ( 0.02,  0.00,  0.00)
185:     vdw     (-46.373,  28.939,  39.697)  (-46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       ( 27.266, -298.242,  97.504)  ( 27.307, -298.201,  97.544)  ( 0.15,  0.01,  0.04)
185:     bond    ( 74.008, -270.205,  57.230)  ( 74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
185:     angle   (  0.145,   0.617,   0.285)  (  0.154,   0.629,   0.299)  ( 0.13,  0.74,  0.40)
185:     torsion ( -0.498,   0.281,   0.285)  ( -0.487,   0.286,   0.290)  ( 0.53,  0.14,  0.15)
185:     oop     ( -0.016,   0.005,   0.008)  ( -0.007,  -0.000,   0.003)  ( 0.02,  0.00,  0.00)
185:     vdw     (-46.373, -28.940,  39.697)  (-46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (186.884, -202.167, 156.695)  (186.928, -202.126, 156.738)  ( 0.02,  0.02,  0.03)
185:     bond    (168.051, -212.764,  92.745)  (168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
185:     angle   (  0.692,   0.134,   0.038)  (  0.706,   0.143,   0.050)  ( 0.99,  0.12,  0.04)
185:     torsion (  0.221,  -0.320,  -0.279)  (  0.226,  -0.310,  -0.273)  ( 0.11,  0.32,  0.17)
185:     oop     (  0.003,  -0.009,  -0.008)  ( -0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 17.918,  10.792,  64.199)  ( 17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (202.096, -156.771, -186.980)  (202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
185:     bond    (212.732, -92.784, -168.105)  (212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
185:     angle   ( -0.152,  -0.061,  -0.721)  ( -0.143,  -0.050,  -0.706)  ( 0.14,  0.07,  1.04)
185:     torsion (  0.300,   0.267,  -0.231)  (  0.310,   0.273,  -0.226)  ( 0.30,  0.16,  0.12)
185:     oop     (  0.008,   0.007,  -0.003)  (  0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.793, -64.201, -17.920)  (-10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (-97.594,  27.266, -298.242)  (-97.544,  27.307, -298.201)  ( 0.05,  0.15,  0.01)
185:     bond    (-57.277,  74.008, -270.205)  (-57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
185:     angle   ( -0.313,   0.145,   0.617)  ( -0.299,   0.154,   0.629)  ( 0.44,  0.13,  0.74)
185:     torsion ( -0.295,  -0.498,   0.281)  ( -0.290,  -0.487,   0.286)  ( 0.16,  0.53,  0.14)
185:     oop     ( -0.008,  -0.016,   0.005)  ( -0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
185:     vdw     (-39.700, -46.373, -28.940)  (-39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (202.096, -156.771, 186.884)  (202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
185:     bond    (212.732, -92.784, 168.051)  (212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
185:     angle   ( -0.152,  -0.061,   0.692)  ( -0.143,  -0.050,   0.706)  ( 0.14,  0.07,  0.99)
185:     torsion (  0.300,   0.267,   0.221)  (  0.310,   0.273,   0.226)  ( 0.30,  0.16,  0.11)
185:     oop     (  0.008,   0.007,   0.003)  (  0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.793, -64.201,  17.918)  (-10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-281.337, 143.041,  -0.049)  (-281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
185:     bond    (-223.783, 177.585,  -0.026)  (-223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
185:     angle   ( -0.129,   0.404,  -0.016)  ( -0.115,   0.410,   0.000)  ( 0.17,  0.23,  0.03)
185:     torsion (  0.101,   0.325,  -0.005)  (  0.104,   0.338,  -0.000)  ( 0.03,  0.44,  0.00)
185:     oop     (  0.006,   0.012,  -0.000)  (  0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     (-57.533, -35.285,  -0.002)  (-57.532, -35.285,  -0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
181:     electro (  2.460,   0.686,   0.523)  (  2.460,   0.686,   0.523)  ( 0.00,  0.00,  0.00)
181: 18       (-16.599, -32.980,  10.375)  (-16.606, -32.943,  10.559)  ( 0.04,  0.11,  1.78)
181:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
181:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
181:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.501,  -0.722,  -0.200)  ( -2.501,  -0.722,  -0.200)  ( 0.00,  0.00,  0.00)
181: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
181:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
181:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
181:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
181:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
181:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
181:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
181:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
181:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
181:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
181:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
181:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
181:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
185: 17       (156.695, -186.980, -202.167)  (156.738, -186.928, -202.126)  ( 0.03,  0.03,  0.02)
185:     bond    ( 92.745, -168.105, -212.764)  ( 92.764, -168.078, -212.748)  ( 0.02,  0.02,  0.01)
185:     angle   (  0.038,  -0.721,   0.134)  (  0.050,  -0.706,   0.143)  ( 0.04,  1.04,  0.12)
185:     torsion ( -0.279,  -0.231,  -0.320)  ( -0.273,  -0.226,  -0.310)  ( 0.17,  0.12,  0.32)
185:     oop     ( -0.008,  -0.003,  -0.009)  ( -0.003,   0.001,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 64.199, -17.920,  10.792)  ( 64.200, -17.919,  10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (-186.980, 202.096, 156.695)  (-186.928, 202.126, 156.738)  ( 0.03,  0.02,  0.03)
185:     bond    (-168.105, 212.732,  92.745)  (-168.078, 212.748,  92.764)  ( 0.02,  0.01,  0.02)
185:     angle   ( -0.721,  -0.152,   0.038)  ( -0.706,  -0.143,   0.050)  ( 1.04,  0.14,  0.04)
185:     torsion ( -0.231,   0.300,  -0.279)  ( -0.226,   0.310,  -0.273)  ( 0.12,  0.30,  0.17)
185:     oop     ( -0.003,   0.008,  -0.008)  (  0.001,   0.003,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.920, -10.793,  64.199)  (-17.919, -10.792,  64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (-97.594,  27.266, 298.150)  (-97.544,  27.307, 298.201)  ( 0.05,  0.15,  0.02)
185:     bond    (-57.277,  74.008, 270.148)  (-57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
185:     angle   ( -0.313,   0.145,  -0.641)  ( -0.299,   0.154,  -0.629)  ( 0.44,  0.13,  0.77)
185:     torsion ( -0.295,  -0.498,  -0.291)  ( -0.290,  -0.487,  -0.286)  ( 0.16,  0.53,  0.15)
185:     oop     ( -0.008,  -0.016,  -0.005)  ( -0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
185:     vdw     (-39.700, -46.373,  28.939)  (-39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       ( 97.504,  27.266, -298.242)  ( 97.544,  27.307, -298.201)  ( 0.04,  0.15,  0.01)
185:     bond    ( 57.230,  74.008, -270.205)  ( 57.253,  74.018, -270.176)  ( 0.04,  0.01,  0.01)
185:     angle   (  0.285,   0.145,   0.617)  (  0.299,   0.154,   0.629)  ( 0.40,  0.13,  0.74)
185:     torsion (  0.285,  -0.498,   0.281)  (  0.290,  -0.487,   0.286)  ( 0.15,  0.53,  0.14)
185:     oop     (  0.008,  -0.016,   0.005)  (  0.003,  -0.007,  -0.000)  ( 0.00,  0.02,  0.00)
185:     vdw     ( 39.697, -46.373, -28.940)  ( 39.698, -46.372, -28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (156.695, 186.884, -202.167)  (156.738, 186.928, -202.126)  ( 0.03,  0.02,  0.02)
185:     bond    ( 92.745, 168.051, -212.764)  ( 92.764, 168.078, -212.748)  ( 0.02,  0.02,  0.01)
185:     angle   (  0.038,   0.692,   0.134)  (  0.050,   0.706,   0.143)  ( 0.04,  0.99,  0.12)
185:     torsion ( -0.279,   0.221,  -0.320)  ( -0.273,   0.226,  -0.310)  ( 0.17,  0.11,  0.32)
185:     oop     ( -0.008,   0.003,  -0.009)  ( -0.003,  -0.001,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 64.199,  17.918,  10.792)  ( 64.200,  17.919,  10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (143.041,  -0.049, 281.242)  (143.058,   0.000, 281.292)  ( 0.01,  0.24,  0.02)
185:     bond    (177.585,  -0.026, 223.722)  (177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
185:     angle   (  0.404,  -0.016,   0.102)  (  0.410,  -0.000,   0.115)  ( 0.23,  0.03,  0.14)
185:     torsion (  0.325,  -0.005,  -0.107)  (  0.338,   0.000,  -0.104)  ( 0.44,  0.00,  0.03)
185:     oop     (  0.012,  -0.000,  -0.006)  (  0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
185:     vdw     (-35.285,  -0.002,  57.531)  (-35.285,   0.000,  57.532)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (202.096, 156.695, -186.980)  (202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
185:     bond    (212.732,  92.745, -168.105)  (212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
185:     angle   ( -0.152,   0.038,  -0.721)  ( -0.143,   0.050,  -0.706)  ( 0.14,  0.04,  1.04)
183:  1       (-94.849, 134.077, -232.261)  (-94.840, 134.085, -232.257)  ( 0.01,  0.01,  0.00)
183:     bond    (-98.615, 139.541, -241.698)  (-98.607, 139.548, -241.694)  ( 0.01,  0.01,  0.00)
183:     angle   (-17.077,  24.042, -41.606)  (-17.076,  24.043, -41.605)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 20.845, -29.505,  51.044)  ( 20.845, -29.506,  51.044)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.002,  -0.001,  -0.002)  ( -0.002,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  2       (267.229,   1.097,  -1.985)  (267.239,   1.101,  -1.981)  ( 0.00,  0.37,  0.20)
183:     bond    (324.092,   0.002,   0.003)  (324.102,   0.005,   0.006)  ( 0.00,  0.00,  0.00)
183:     angle   ( -7.067,  -9.049,  15.613)  ( -7.066,  -9.047,  15.614)  ( 0.02,  0.02,  0.01)
183:     strbnd  (-54.347,   8.796, -15.254)  (-54.349,   8.796, -15.255)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.001,  -0.000)  (  0.000,   0.001,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.551,   1.346,  -2.346)  (  4.551,   1.346,  -2.346)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       (-92.994, -251.370,  -1.993)  (-92.989, -251.361,  -1.989)  ( 0.01,  0.00,  0.20)
183:     bond    (-108.221, -305.529,  -0.016)  (-108.218, -305.520,  -0.013)  ( 0.00,  0.00,  0.00)
183:     angle   ( 10.871,   3.619,  15.618)  ( 10.872,   3.621,  15.619)  ( 0.01,  0.04,  0.01)
183:     strbnd  (  9.840,  54.186, -15.254)  (  9.840,  54.184, -15.254)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,  -0.000,   0.003)  (  0.001,  -0.000,   0.003)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.484,  -3.646,  -2.343)  ( -5.484,  -3.646,  -2.343)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       (-92.879, 127.455, 216.653)  (-92.874, 127.461, 216.661)  ( 0.01,  0.00,  0.00)
183:     bond    (-107.982, 152.791, 264.561)  (-107.978, 152.795, 264.568)  ( 0.00,  0.00,  0.00)
183:     angle   ( 10.825, -15.317,   4.617)  ( 10.827, -15.315,   4.619)  ( 0.01,  0.01,  0.03)
183:     strbnd  (  9.798, -13.878, -54.515)  (  9.798, -13.878, -54.516)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.520,   3.858,   1.991)  ( -5.520,   3.858,   1.991)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( 14.020,  33.684,  -0.046)  ( 14.021,  33.686,  -0.046)  ( 0.01,  0.01,  0.00)
183:     bond    ( -9.351,  26.406,  -0.000)  ( -9.351,  26.409,   0.000)  ( 0.00,  0.01,  0.00)
183:     angle   (  2.316,   0.820,  -0.007)  (  2.316,   0.820,  -0.006)  ( 0.02,  0.00,  0.00)
183:     strbnd  ( 13.869,   5.072,   0.000)  ( 13.869,   5.072,   0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.187,   1.385,  -0.040)  (  7.187,   1.385,  -0.040)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  6       (  7.090, -16.075,  27.884)  (  7.091, -16.074,  27.886)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.334, -13.210,  22.872)  ( -9.334, -13.209,  22.874)  ( 0.00,  0.01,  0.01)
183:     angle   (  2.371,  -0.399,   0.737)  (  2.371,  -0.398,   0.737)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( 13.871,  -2.534,   4.389)  ( 13.871,  -2.534,   4.389)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
179:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
185:     torsion (  0.300,  -0.279,  -0.231)  (  0.310,  -0.273,  -0.226)  ( 0.30,  0.17,  0.12)
185:     oop     (  0.008,  -0.008,  -0.003)  (  0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.793,  64.199, -17.920)  (-10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-27.328, -298.242,  97.504)  (-27.307, -298.201,  97.544)  ( 0.08,  0.01,  0.04)
185:     bond    (-74.029, -270.205,  57.230)  (-74.018, -270.176,  57.253)  ( 0.01,  0.01,  0.04)
185:     angle   ( -0.163,   0.617,   0.285)  ( -0.154,   0.629,   0.299)  ( 0.14,  0.74,  0.40)
185:     torsion (  0.476,   0.281,   0.285)  (  0.487,   0.286,   0.290)  ( 0.51,  0.14,  0.15)
185:     oop     (  0.016,   0.005,   0.008)  (  0.007,  -0.000,   0.003)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 46.371, -28.940,  39.697)  ( 46.372, -28.940,  39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (-97.594, -27.328, -298.242)  (-97.544, -27.307, -298.201)  ( 0.05,  0.08,  0.01)
185:     bond    (-57.277, -74.029, -270.205)  (-57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
185:     angle   ( -0.313,  -0.163,   0.617)  ( -0.299,  -0.154,   0.629)  ( 0.44,  0.14,  0.74)
185:     torsion ( -0.295,   0.476,   0.281)  ( -0.290,   0.487,   0.286)  ( 0.16,  0.51,  0.14)
185:     oop     ( -0.008,   0.016,   0.005)  ( -0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     (-39.700,  46.371, -28.940)  (-39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (-186.980, -202.167, 156.695)  (-186.928, -202.126, 156.738)  ( 0.03,  0.02,  0.03)
185:     bond    (-168.105, -212.764,  92.745)  (-168.078, -212.748,  92.764)  ( 0.02,  0.01,  0.02)
185:     angle   ( -0.721,   0.134,   0.038)  ( -0.706,   0.143,   0.050)  ( 1.04,  0.12,  0.04)
185:     torsion ( -0.231,  -0.320,  -0.279)  ( -0.226,  -0.310,  -0.273)  ( 0.12,  0.32,  0.17)
185:     oop     ( -0.003,  -0.009,  -0.008)  (  0.001,  -0.003,  -0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.920,  10.792,  64.199)  (-17.919,  10.792,  64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (202.096, 156.695, 186.884)  (202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
185:     bond    (212.732,  92.745, 168.051)  (212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
185:     angle   ( -0.152,   0.038,   0.692)  ( -0.143,   0.050,   0.706)  ( 0.14,  0.04,  0.99)
185:     torsion (  0.300,  -0.279,   0.221)  (  0.310,  -0.273,   0.226)  ( 0.30,  0.17,  0.11)
185:     oop     (  0.008,  -0.008,   0.003)  (  0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.793,  64.199,  17.918)  (-10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (-281.337, -143.091,  -0.049)  (-281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
185:     bond    (-223.783, -177.596,  -0.026)  (-223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
185:     angle   ( -0.129,  -0.415,  -0.016)  ( -0.115,  -0.410,   0.000)  ( 0.17,  0.23,  0.03)
185:     torsion (  0.101,  -0.352,  -0.005)  (  0.104,  -0.338,  -0.000)  ( 0.03,  0.48,  0.00)
185:     oop     (  0.006,  -0.013,  -0.000)  (  0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     (-57.533,  35.285,  -0.002)  (-57.532,  35.285,  -0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 97.504, -27.328, -298.242)  ( 97.544, -27.307, -298.201)  ( 0.04,  0.08,  0.01)
185:     bond    ( 57.230, -74.029, -270.205)  ( 57.253, -74.018, -270.176)  ( 0.04,  0.01,  0.01)
185:     angle   (  0.285,  -0.163,   0.617)  (  0.299,  -0.154,   0.629)  ( 0.40,  0.14,  0.74)
185:     torsion (  0.285,   0.476,   0.281)  (  0.290,   0.487,   0.286)  ( 0.15,  0.51,  0.14)
185:     oop     (  0.008,   0.016,   0.005)  (  0.003,   0.007,  -0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     ( 39.697,  46.371, -28.940)  ( 39.698,  46.372, -28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (281.242, 143.041,  -0.049)  (281.292, 143.058,   0.000)  ( 0.02,  0.01,  0.24)
185:     bond    (223.722, 177.585,  -0.026)  (223.752, 177.591,   0.000)  ( 0.01,  0.00,  0.07)
185:     angle   (  0.102,   0.404,  -0.016)  (  0.115,   0.410,   0.000)  ( 0.14,  0.23,  0.03)
185:     torsion ( -0.107,   0.325,  -0.005)  ( -0.104,   0.338,   0.000)  ( 0.03,  0.44,  0.00)
185:     oop     ( -0.006,   0.012,  -0.000)  ( -0.004,   0.005,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     ( 57.531, -35.285,  -0.002)  ( 57.532, -35.285,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (143.041,  -0.049, -281.337)  (143.058,   0.000, -281.292)  ( 0.01,  0.24,  0.02)
185:     bond    (177.585,  -0.026, -223.783)  (177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
185:     angle   (  0.404,  -0.016,  -0.129)  (  0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
185:     torsion (  0.325,  -0.005,   0.101)  (  0.338,   0.000,   0.104)  ( 0.44,  0.00,  0.03)
185:     oop     (  0.012,  -0.000,   0.006)  (  0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
185:     vdw     (-35.285,  -0.002, -57.533)  (-35.285,  -0.000, -57.532)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (-27.328, 298.150,  97.504)  (-27.307, 298.201,  97.544)  ( 0.08,  0.02,  0.04)
185:     bond    (-74.029, 270.148,  57.230)  (-74.018, 270.176,  57.253)  ( 0.01,  0.01,  0.04)
185:     angle   ( -0.163,  -0.641,   0.285)  ( -0.154,  -0.629,   0.299)  ( 0.14,  0.77,  0.40)
185:     torsion (  0.476,  -0.291,   0.285)  (  0.487,  -0.286,   0.290)  ( 0.51,  0.15,  0.15)
185:     oop     (  0.016,  -0.005,   0.008)  (  0.007,   0.000,   0.003)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 46.371,  28.939,  39.697)  ( 46.372,  28.940,  39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (-97.594, -27.328, 298.150)  (-97.544, -27.307, 298.201)  ( 0.05,  0.08,  0.02)
185:     bond    (-57.277, -74.029, 270.148)  (-57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
185:     angle   ( -0.313,  -0.163,  -0.641)  ( -0.299,  -0.154,  -0.629)  ( 0.44,  0.14,  0.77)
185:     torsion ( -0.295,   0.476,  -0.291)  ( -0.290,   0.487,  -0.286)  ( 0.16,  0.51,  0.15)
185:     oop     ( -0.008,   0.016,  -0.005)  ( -0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     (-39.700,  46.371,  28.939)  (-39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       (281.242, -143.091,  -0.049)  (281.292, -143.058,   0.000)  ( 0.02,  0.02,  0.24)
185:     bond    (223.722, -177.596,  -0.026)  (223.752, -177.591,   0.000)  ( 0.01,  0.00,  0.07)
185:     angle   (  0.102,  -0.415,  -0.016)  (  0.115,  -0.410,   0.000)  ( 0.14,  0.23,  0.03)
185:     torsion ( -0.107,  -0.352,  -0.005)  ( -0.104,  -0.338,   0.000)  ( 0.03,  0.48,  0.00)
185:     oop     ( -0.006,  -0.013,  -0.000)  ( -0.004,  -0.005,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     ( 57.531,  35.285,  -0.002)  ( 57.532,  35.285,   0.000)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       (-202.167, 156.695, -186.980)  (-202.126, 156.738, -186.928)  ( 0.02,  0.03,  0.03)
185:     bond    (-212.764,  92.745, -168.105)  (-212.748,  92.764, -168.078)  ( 0.01,  0.02,  0.02)
185:     angle   (  0.134,   0.038,  -0.721)  (  0.143,   0.050,  -0.706)  ( 0.12,  0.04,  1.04)
185:     torsion ( -0.320,  -0.279,  -0.231)  ( -0.310,  -0.273,  -0.226)  ( 0.32,  0.17,  0.12)
185:     oop     ( -0.009,  -0.008,  -0.003)  ( -0.003,  -0.003,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.792,  64.199, -17.920)  ( 10.792,  64.200, -17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (-202.167, 156.695, 186.884)  (-202.126, 156.738, 186.928)  ( 0.02,  0.03,  0.02)
185:     bond    (-212.764,  92.745, 168.051)  (-212.748,  92.764, 168.078)  ( 0.01,  0.02,  0.02)
185:     angle   (  0.134,   0.038,   0.692)  (  0.143,   0.050,   0.706)  ( 0.12,  0.04,  0.99)
185:     torsion ( -0.320,  -0.279,   0.221)  ( -0.310,  -0.273,   0.226)  ( 0.32,  0.17,  0.11)
185:     oop     ( -0.009,  -0.008,   0.003)  ( -0.003,  -0.003,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.792,  64.199,  17.918)  ( 10.792,  64.200,  17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (-143.091,  -0.049, 281.242)  (-143.058,  -0.000, 281.292)  ( 0.02,  0.24,  0.02)
185:     bond    (-177.596,  -0.026, 223.722)  (-177.591,   0.000, 223.752)  ( 0.00,  0.07,  0.01)
185:     angle   ( -0.415,  -0.016,   0.102)  ( -0.410,   0.000,   0.115)  ( 0.23,  0.03,  0.14)
185:     torsion ( -0.352,  -0.005,  -0.107)  ( -0.338,   0.000,  -0.104)  ( 0.48,  0.00,  0.03)
185:     oop     ( -0.013,  -0.000,  -0.006)  ( -0.005,   0.000,  -0.004)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 35.285,  -0.002,  57.531)  ( 35.285,  -0.000,  57.532)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (-202.167, -156.771, -186.980)  (-202.126, -156.738, -186.928)  ( 0.02,  0.02,  0.03)
185:     bond    (-212.764, -92.784, -168.105)  (-212.748, -92.764, -168.078)  ( 0.01,  0.02,  0.02)
185:     angle   (  0.134,  -0.061,  -0.721)  (  0.143,  -0.050,  -0.706)  ( 0.12,  0.07,  1.04)
185:     torsion ( -0.320,   0.267,  -0.231)  ( -0.310,   0.273,  -0.226)  ( 0.32,  0.16,  0.12)
185:     oop     ( -0.009,   0.007,  -0.003)  ( -0.003,   0.003,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.792, -64.201, -17.920)  ( 10.792, -64.200, -17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       (-202.167, -156.771, 186.884)  (-202.126, -156.738, 186.928)  ( 0.02,  0.02,  0.02)
185:     bond    (-212.764, -92.784, 168.051)  (-212.748, -92.764, 168.078)  ( 0.01,  0.02,  0.02)
185:     angle   (  0.134,  -0.061,   0.692)  (  0.143,  -0.050,   0.706)  ( 0.12,  0.07,  0.99)
185:     torsion ( -0.320,   0.267,   0.221)  ( -0.310,   0.273,   0.226)  ( 0.32,  0.16,  0.11)
185:     oop     ( -0.009,   0.007,   0.003)  ( -0.003,   0.003,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.792, -64.201,  17.918)  ( 10.792, -64.200,  17.919)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 40       ( 97.504, -27.328, 298.150)  ( 97.544, -27.307, 298.201)  ( 0.04,  0.08,  0.02)
185:     bond    ( 57.230, -74.029, 270.148)  ( 57.253, -74.018, 270.176)  ( 0.04,  0.01,  0.01)
185:     angle   (  0.285,  -0.163,  -0.641)  (  0.299,  -0.154,  -0.629)  ( 0.40,  0.14,  0.77)
185:     torsion (  0.285,   0.476,  -0.291)  (  0.290,   0.487,  -0.286)  ( 0.15,  0.51,  0.15)
185:     oop     (  0.008,   0.016,  -0.005)  (  0.003,   0.007,   0.000)  ( 0.00,  0.01,  0.00)
185:     vdw     ( 39.697,  46.371,  28.939)  ( 39.698,  46.372,  28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 41       (-186.980, -202.167, -156.771)  (-186.928, -202.126, -156.738)  ( 0.03,  0.02,  0.02)
185:     bond    (-168.105, -212.764, -92.784)  (-168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
185:     angle   ( -0.721,   0.134,  -0.061)  ( -0.706,   0.143,  -0.050)  ( 1.04,  0.12,  0.07)
185:     torsion ( -0.231,  -0.320,   0.267)  ( -0.226,  -0.310,   0.273)  ( 0.12,  0.32,  0.16)
185:     oop     ( -0.003,  -0.009,   0.007)  (  0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.920,  10.792, -64.201)  (-17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 42       (-298.242,  97.504,  27.266)  (-298.201,  97.544,  27.307)  ( 0.01,  0.04,  0.15)
185:     bond    (-270.205,  57.230,  74.008)  (-270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
185:     angle   (  0.617,   0.285,   0.145)  (  0.629,   0.299,   0.154)  ( 0.74,  0.40,  0.13)
185:     torsion (  0.281,   0.285,  -0.498)  (  0.286,   0.290,  -0.487)  ( 0.14,  0.15,  0.53)
185:     oop     (  0.005,   0.008,  -0.016)  ( -0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
185:     vdw     (-28.940,  39.697, -46.373)  (-28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 43       (186.884, -202.167, -156.771)  (186.928, -202.126, -156.738)  ( 0.02,  0.02,  0.02)
185:     bond    (168.051, -212.764, -92.784)  (168.078, -212.748, -92.764)  ( 0.02,  0.01,  0.02)
185:     angle   (  0.692,   0.134,  -0.061)  (  0.706,   0.143,  -0.050)  ( 0.99,  0.12,  0.07)
185:     torsion (  0.221,  -0.320,   0.267)  (  0.226,  -0.310,   0.273)  ( 0.11,  0.32,  0.16)
185:     oop     (  0.003,  -0.009,   0.007)  ( -0.001,  -0.003,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 17.918,  10.792, -64.201)  ( 17.919,  10.792, -64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 44       ( 27.266, 298.150, -97.594)  ( 27.307, 298.201, -97.544)  ( 0.15,  0.02,  0.05)
185:     bond    ( 74.008, 270.148, -57.277)  ( 74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
185:     angle   (  0.145,  -0.641,  -0.313)  (  0.154,  -0.629,  -0.299)  ( 0.13,  0.77,  0.44)
185:     torsion ( -0.498,  -0.291,  -0.295)  ( -0.487,  -0.286,  -0.290)  ( 0.53,  0.15,  0.16)
185:     oop     ( -0.016,  -0.005,  -0.008)  ( -0.007,   0.000,  -0.003)  ( 0.02,  0.00,  0.00)
185:     vdw     (-46.373,  28.939, -39.700)  (-46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 45       (-27.328, 298.150, -97.594)  (-27.307, 298.201, -97.544)  ( 0.08,  0.02,  0.05)
185:     bond    (-74.029, 270.148, -57.277)  (-74.018, 270.176, -57.253)  ( 0.01,  0.01,  0.04)
185:     angle   ( -0.163,  -0.641,  -0.313)  ( -0.154,  -0.629,  -0.299)  ( 0.14,  0.77,  0.44)
185:     torsion (  0.476,  -0.291,  -0.295)  (  0.487,  -0.286,  -0.290)  ( 0.51,  0.15,  0.16)
185:     oop     (  0.016,  -0.005,  -0.008)  (  0.007,   0.000,  -0.003)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 46.371,  28.939, -39.700)  ( 46.372,  28.940, -39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 46       ( 27.266, -298.242, -97.594)  ( 27.307, -298.201, -97.544)  ( 0.15,  0.01,  0.05)
185:     bond    ( 74.008, -270.205, -57.277)  ( 74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
185:     angle   (  0.145,   0.617,  -0.313)  (  0.154,   0.629,  -0.299)  ( 0.13,  0.74,  0.44)
185:     torsion ( -0.498,   0.281,  -0.295)  ( -0.487,   0.286,  -0.290)  ( 0.53,  0.14,  0.16)
185:     oop     ( -0.016,   0.005,  -0.008)  ( -0.007,  -0.000,  -0.003)  ( 0.02,  0.00,  0.00)
185:     vdw     (-46.373, -28.940, -39.700)  (-46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 47       (-156.771, -186.980, 202.096)  (-156.738, -186.928, 202.126)  ( 0.02,  0.03,  0.02)
185:     bond    (-92.784, -168.105, 212.732)  (-92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
185:     angle   ( -0.061,  -0.721,  -0.152)  ( -0.050,  -0.706,  -0.143)  ( 0.07,  1.04,  0.14)
185:     torsion (  0.267,  -0.231,   0.300)  (  0.273,  -0.226,   0.310)  ( 0.16,  0.12,  0.30)
185:     oop     (  0.007,  -0.003,   0.008)  (  0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-64.201, -17.920, -10.793)  (-64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 48       (-143.091,  -0.049, -281.337)  (-143.058,  -0.000, -281.292)  ( 0.02,  0.24,  0.02)
185:     bond    (-177.596,  -0.026, -223.783)  (-177.591,   0.000, -223.752)  ( 0.00,  0.07,  0.01)
185:     angle   ( -0.415,  -0.016,  -0.129)  ( -0.410,   0.000,  -0.115)  ( 0.23,  0.03,  0.17)
185:     torsion ( -0.352,  -0.005,   0.101)  ( -0.338,  -0.000,   0.104)  ( 0.48,  0.00,  0.03)
185:     oop     ( -0.013,  -0.000,   0.006)  ( -0.005,  -0.000,   0.004)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 35.285,  -0.002, -57.533)  ( 35.285,   0.000, -57.532)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 49       ( 97.504,  27.266, 298.150)  ( 97.544,  27.307, 298.201)  ( 0.04,  0.15,  0.02)
185:     bond    ( 57.230,  74.008, 270.148)  ( 57.253,  74.018, 270.176)  ( 0.04,  0.01,  0.01)
185:     angle   (  0.285,   0.145,  -0.641)  (  0.299,   0.154,  -0.629)  ( 0.40,  0.13,  0.77)
185:     torsion (  0.285,  -0.498,  -0.291)  (  0.290,  -0.487,  -0.286)  ( 0.15,  0.53,  0.15)
185:     oop     (  0.008,  -0.016,  -0.005)  (  0.003,  -0.007,   0.000)  ( 0.00,  0.02,  0.00)
185:     vdw     ( 39.697, -46.373,  28.939)  ( 39.698, -46.372,  28.940)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 50       (-186.980, 202.096, -156.771)  (-186.928, 202.126, -156.738)  ( 0.03,  0.02,  0.02)
185:     bond    (-168.105, 212.732, -92.784)  (-168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
185:     angle   ( -0.721,  -0.152,  -0.061)  ( -0.706,  -0.143,  -0.050)  ( 1.04,  0.14,  0.07)
185:     torsion ( -0.231,   0.300,   0.267)  ( -0.226,   0.310,   0.273)  ( 0.12,  0.30,  0.16)
185:     oop     ( -0.003,   0.008,   0.007)  (  0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.920, -10.793, -64.201)  (-17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 51       (-27.328, -298.242, -97.594)  (-27.307, -298.201, -97.544)  ( 0.08,  0.01,  0.05)
185:     bond    (-74.029, -270.205, -57.277)  (-74.018, -270.176, -57.253)  ( 0.01,  0.01,  0.04)
185:     angle   ( -0.163,   0.617,  -0.313)  ( -0.154,   0.629,  -0.299)  ( 0.14,  0.74,  0.44)
185:     torsion (  0.476,   0.281,  -0.295)  (  0.487,   0.286,  -0.290)  ( 0.51,  0.14,  0.16)
185:     oop     (  0.016,   0.005,  -0.008)  (  0.007,  -0.000,  -0.003)  ( 0.01,  0.00,  0.00)
185:     vdw     ( 46.371, -28.940, -39.700)  ( 46.372, -28.940, -39.698)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 52       (156.695, -186.980, 202.096)  (156.738, -186.928, 202.126)  ( 0.03,  0.03,  0.02)
185:     bond    ( 92.745, -168.105, 212.732)  ( 92.764, -168.078, 212.748)  ( 0.02,  0.02,  0.01)
185:     angle   (  0.038,  -0.721,  -0.152)  (  0.050,  -0.706,  -0.143)  ( 0.04,  1.04,  0.14)
185:     torsion ( -0.279,  -0.231,   0.300)  ( -0.273,  -0.226,   0.310)  ( 0.17,  0.12,  0.30)
185:     oop     ( -0.008,  -0.003,   0.008)  ( -0.003,   0.001,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 64.199, -17.920, -10.793)  ( 64.200, -17.919, -10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 53       (298.150,  97.504,  27.266)  (298.201,  97.544,  27.307)  ( 0.02,  0.04,  0.15)
185:     bond    (270.148,  57.230,  74.008)  (270.176,  57.253,  74.018)  ( 0.01,  0.04,  0.01)
185:     angle   ( -0.641,   0.285,   0.145)  ( -0.629,   0.299,   0.154)  ( 0.77,  0.40,  0.13)
185:     torsion ( -0.291,   0.285,  -0.498)  ( -0.286,   0.290,  -0.487)  ( 0.15,  0.15,  0.53)
185:     oop     ( -0.005,   0.008,  -0.016)  (  0.000,   0.003,  -0.007)  ( 0.00,  0.00,  0.02)
185:     vdw     ( 28.939,  39.697, -46.373)  ( 28.940,  39.698, -46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 54       ( -0.049, 281.242, 143.041)  (  0.000, 281.292, 143.058)  ( 0.24,  0.02,  0.01)
185:     bond    ( -0.026, 223.722, 177.585)  (  0.000, 223.752, 177.591)  ( 0.07,  0.01,  0.00)
185:     angle   ( -0.016,   0.102,   0.404)  (  0.000,   0.115,   0.410)  ( 0.03,  0.14,  0.23)
185:     torsion ( -0.005,  -0.107,   0.325)  (  0.000,  -0.104,   0.338)  ( 0.00,  0.03,  0.44)
185:     oop     ( -0.000,  -0.006,   0.012)  (  0.000,  -0.004,   0.005)  ( 0.00,  0.00,  0.01)
185:     vdw     ( -0.002,  57.531, -35.285)  (  0.000,  57.532, -35.285)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 55       (156.695, 186.884, 202.096)  (156.738, 186.928, 202.126)  ( 0.03,  0.02,  0.02)
185:     bond    ( 92.745, 168.051, 212.732)  ( 92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
185:     angle   (  0.038,   0.692,  -0.152)  (  0.050,   0.706,  -0.143)  ( 0.04,  0.99,  0.14)
185:     torsion ( -0.279,   0.221,   0.300)  ( -0.273,   0.226,   0.310)  ( 0.17,  0.11,  0.30)
185:     oop     ( -0.008,   0.003,   0.008)  ( -0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 64.199,  17.918, -10.793)  ( 64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 56       (-156.771, 186.884, 202.096)  (-156.738, 186.928, 202.126)  ( 0.02,  0.02,  0.02)
185:     bond    (-92.784, 168.051, 212.732)  (-92.764, 168.078, 212.748)  ( 0.02,  0.02,  0.01)
185:     angle   ( -0.061,   0.692,  -0.152)  ( -0.050,   0.706,  -0.143)  ( 0.07,  0.99,  0.14)
185:     torsion (  0.267,   0.221,   0.300)  (  0.273,   0.226,   0.310)  ( 0.16,  0.11,  0.30)
185:     oop     (  0.007,   0.003,   0.008)  (  0.003,  -0.001,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (-64.201,  17.918, -10.793)  (-64.200,  17.919, -10.792)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 57       (186.884, 202.096, -156.771)  (186.928, 202.126, -156.738)  ( 0.02,  0.02,  0.02)
185:     bond    (168.051, 212.732, -92.784)  (168.078, 212.748, -92.764)  ( 0.02,  0.01,  0.02)
185:     angle   (  0.692,  -0.152,  -0.061)  (  0.706,  -0.143,  -0.050)  ( 0.99,  0.14,  0.07)
185:     torsion (  0.221,   0.300,   0.267)  (  0.226,   0.310,   0.273)  ( 0.11,  0.30,  0.16)
185:     oop     (  0.003,   0.008,   0.007)  ( -0.001,   0.003,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 17.918, -10.793, -64.201)  ( 17.919, -10.792, -64.200)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 58       (-298.242, -97.594,  27.266)  (-298.201, -97.544,  27.307)  ( 0.01,  0.05,  0.15)
185:     bond    (-270.205, -57.277,  74.008)  (-270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
185:     angle   (  0.617,  -0.313,   0.145)  (  0.629,  -0.299,   0.154)  ( 0.74,  0.44,  0.13)
185:     torsion (  0.281,  -0.295,  -0.498)  (  0.286,  -0.290,  -0.487)  ( 0.14,  0.16,  0.53)
185:     oop     (  0.005,  -0.008,  -0.016)  ( -0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
185:     vdw     (-28.940, -39.700, -46.373)  (-28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 59       (298.150, -97.594,  27.266)  (298.201, -97.544,  27.307)  ( 0.02,  0.05,  0.15)
185:     bond    (270.148, -57.277,  74.008)  (270.176, -57.253,  74.018)  ( 0.01,  0.04,  0.01)
185:     angle   ( -0.641,  -0.313,   0.145)  ( -0.629,  -0.299,   0.154)  ( 0.77,  0.44,  0.13)
185:     torsion ( -0.291,  -0.295,  -0.498)  ( -0.286,  -0.290,  -0.487)  ( 0.15,  0.16,  0.53)
185:     oop     ( -0.005,  -0.008,  -0.016)  (  0.000,  -0.003,  -0.007)  ( 0.00,  0.00,  0.02)
185:     vdw     ( 28.939, -39.700, -46.373)  ( 28.940, -39.698, -46.372)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 60       ( -0.049, -281.337, 143.041)  ( -0.000, -281.292, 143.058)  ( 0.24,  0.02,  0.01)
185:     bond    ( -0.026, -223.783, 177.585)  (  0.000, -223.752, 177.591)  ( 0.07,  0.01,  0.00)
185:     angle   ( -0.016,  -0.129,   0.404)  (  0.000,  -0.115,   0.410)  ( 0.03,  0.17,  0.23)
185:     torsion ( -0.005,   0.101,   0.325)  ( -0.000,   0.104,   0.338)  ( 0.00,  0.03,  0.44)
185:     oop     ( -0.000,   0.006,   0.012)  ( -0.000,   0.004,   0.005)  ( 0.00,  0.00,  0.01)
185:     vdw     ( -0.002, -57.533, -35.285)  (  0.000, -57.532, -35.285)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 18 # gradients 
185: ok 19 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (187.442, -80.908,  -3.672)  (187.494, -80.846,  -3.733)  ( 0.03,  0.08,  1.66)
185:     bond    (  9.662,  34.813,  -0.219)  (  9.689,  34.853,  -0.218)  ( 0.28,  0.11,  0.01)
185:     angle   (232.233, -14.543,   3.991)  (232.257, -14.524,   3.990)  ( 0.01,  0.13,  0.02)
185:     torsion (  0.100,   0.118,  -8.823)  (  0.100,   0.118,  -8.791)  ( 0.00,  0.00,  0.36)
185:     oop     ( -0.001,  -0.003,   0.894)  ( -0.002,  -0.003,   0.802)  ( 0.00,  0.00,  8.27)
185:     vdw     (-54.552, -101.293,   0.486)  (-54.551, -101.291,   0.485)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-396.877, -26.391,  23.123)  (-396.817, -26.325,  23.254)  ( 0.01,  0.25,  0.57)
185:     bond    (-22.671, -12.760,  -0.575)  (-22.641, -12.714,  -0.575)  ( 0.13,  0.36,  0.02)
185:     angle   (-380.611,  45.357,   7.464)  (-380.585,  45.376,   7.462)  ( 0.01,  0.04,  0.02)
185:     torsion (  0.072,  -0.068,  18.770)  (  0.072,  -0.068,  18.797)  ( 0.00,  0.00,  0.14)
185:     oop     ( -0.004,   0.005,  -0.395)  ( -0.003,   0.004,  -0.290)  ( 0.00,  0.00,  4.18)
185:     vdw     (  6.338, -58.925,  -2.140)  (  6.339, -58.923,  -2.140)  ( 0.02,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (197.838, -192.492,  -5.916)  (197.900, -192.435,  -5.979)  ( 0.03,  0.03,  1.07)
185:     bond    ( 83.338, -37.167,  -0.934)  ( 83.375, -37.127,  -0.933)  ( 0.04,  0.11,  0.03)
185:     angle   ( 68.449, -156.536,  -1.508)  ( 68.474, -156.520,  -1.506)  ( 0.04,  0.01,  0.11)
185:     torsion (  0.111,   0.566,  -3.763)  (  0.111,   0.566,  -3.744)  ( 0.00,  0.00,  0.52)
185:     oop     (  0.003,   0.002,   0.314)  (  0.002,   0.002,   0.229)  ( 0.00,  0.00,  2.66)
185:     vdw     ( 45.937,   0.643,  -0.025)  ( 45.938,   0.643,  -0.025)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (131.699, 142.709,  -5.048)  (131.773, 142.790,  -4.744)  ( 0.06,  0.06,  6.03)
185:     bond    (-39.328, -45.304,   0.742)  (-39.285, -45.259,   0.742)  ( 0.11,  0.10,  0.03)
185:     angle   (108.956, 100.526,  -1.495)  (108.984, 100.556,  -1.495)  ( 0.03,  0.03,  0.00)
185:     torsion ( -0.239,   0.068,   2.388)  ( -0.239,   0.068,   2.407)  ( 0.00,  0.00,  0.80)
185:     oop     ( -0.011,  -0.015,  -1.688)  ( -0.009,  -0.013,  -1.402)  ( 0.00,  0.00, 16.93)
185:     vdw     ( 62.322,  87.435,  -4.995)  ( 62.324,  87.438,  -4.995)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       ( 79.288,  88.861,  -5.940)  ( 79.309,  88.889,  -6.055)  ( 0.03,  0.03,  1.93)
185:     bond    ( 34.251,  59.094,  -0.793)  ( 34.260,  59.119,  -0.793)  ( 0.02,  0.04,  0.02)
185:     angle   (-11.405,   6.603,   0.172)  (-11.396,   6.606,   0.172)  ( 0.08,  0.05,  0.00)
185:     torsion (  0.029,   0.039,   4.126)  (  0.029,   0.039,   4.129)  ( 0.00,  0.00,  0.09)
185:     oop     (  0.005,   0.007,   0.781)  (  0.005,   0.006,   0.663)  ( 0.00,  0.00,  9.23)
185:     vdw     ( 56.408,  23.118, -10.227)  ( 56.411,  23.119, -10.227)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-182.051, 166.429,  -7.813)  (-181.992, 166.491,  -7.960)  ( 0.03,  0.04,  1.88)
185:     bond    (-39.410,  95.923,  -0.988)  (-39.370,  95.959,  -0.988)  ( 0.10,  0.04,  0.02)
185:     angle   (-109.318,  15.492,   3.850)  (-109.301,  15.517,   3.853)  ( 0.02,  0.16,  0.06)
185:     torsion ( -0.591,  -0.333, -11.745)  ( -0.591,  -0.333, -11.729)  ( 0.00,  0.00,  0.13)
185:     oop     (  0.000,   0.002,   1.006)  (  0.000,   0.002,   0.841)  ( 0.00,  0.00, 16.39)
185:     vdw     (-32.732,  55.345,   0.063)  (-32.732,  55.346,   0.063)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 82.852, -217.208, -27.768)  ( 82.921, -217.147, -27.253)  ( 0.08,  0.03,  1.85)
185:     bond    (103.129, -71.073,   0.420)  (103.176, -71.040,   0.419)  ( 0.05,  0.05,  0.01)
185:     angle   ( 14.800, -138.621,  -2.387)  ( 14.823, -138.595,  -2.387)  ( 0.16,  0.02,  0.04)
185:     torsion (  0.228,  -0.269, -19.945)  (  0.228,  -0.269, -19.923)  ( 0.00,  0.00,  0.11)
185:     oop     (  0.013,   0.003,  -3.052)  (  0.011,   0.003,  -2.558)  ( 0.00,  0.00, 16.19)
185:     vdw     (-35.317,  -7.247,  -2.804)  (-35.316,  -7.246,  -2.804)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-107.292, -13.736,  -1.515)  (-107.256, -13.723,  -1.763)  ( 0.03,  0.09, 16.41)
185:     bond    (-79.086,   1.050,  -0.525)  (-79.052,   1.050,  -0.525)  ( 0.04,  0.03,  0.02)
185:     angle   (  0.265,  19.773,  -0.294)  (  0.265,  19.784,  -0.294)  ( 0.00,  0.06,  0.01)
185:     torsion ( -0.008,   0.006,   1.224)  ( -0.008,   0.006,   1.228)  ( 0.00,  0.00,  0.33)
185:     oop     ( -0.009,  -0.002,   1.346)  ( -0.007,  -0.001,   1.094)  ( 0.00,  0.00, 18.72)
185:     vdw     (-28.454, -34.564,  -3.267)  (-28.453, -34.562,  -3.267)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-172.086,  17.247, -12.385)  (-172.027,  17.299, -12.279)  ( 0.03,  0.30,  0.86)
185:     bond    (-38.220, -32.802,  -1.579)  (-38.178, -32.765,  -1.579)  ( 0.11,  0.11,  0.04)
185:     angle   (-138.590,  57.157,   0.565)  (-138.571,  57.174,   0.567)  ( 0.01,  0.03,  0.11)
185:     torsion (  0.161,   0.048, -10.926)  (  0.161,   0.048, -10.901)  ( 0.00,  0.00,  0.23)
185:     oop     (  0.004,   0.008,  -0.407)  (  0.003,   0.007,  -0.328)  ( 0.00,  0.00,  3.21)
185:     vdw     (  4.559,  -7.165,  -0.038)  (  4.559,  -7.165,  -0.038)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (169.232,  18.020,   5.417)  (169.270,  18.061,   5.349)  ( 0.02,  0.22,  1.25)
185:     bond    (-55.806,   6.948,   0.149)  (-55.784,   6.982,   0.149)  ( 0.04,  0.49,  0.01)
185:     angle   (244.355,  31.756,  -3.708)  (244.371,  31.761,  -3.707)  ( 0.01,  0.02,  0.04)
185:     torsion (  0.150,  -0.110,   9.934)  (  0.150,  -0.110,   9.943)  ( 0.00,  0.00,  0.09)
185:     oop     (  0.003,  -0.006,   0.421)  (  0.002,  -0.005,   0.343)  ( 0.00,  0.00,  3.31)
185:     vdw     (-19.470, -20.567,  -1.378)  (-19.470, -20.567,  -1.379)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (-12.606,  65.636,  -0.581)  (-12.553,  65.688,  -0.517)  ( 0.42,  0.08,  3.76)
185:     bond    (  5.458,  28.969,   0.248)  (  5.496,  29.002,   0.248)  ( 0.70,  0.11,  0.01)
185:     angle   (-33.346,  33.342,   0.302)  (-33.332,  33.362,   0.303)  ( 0.04,  0.06,  0.03)
185:     torsion ( -0.008,   0.046,  -1.233)  ( -0.008,   0.046,  -1.216)  ( 0.00,  0.00,  1.42)
185:     oop     ( -0.001,   0.004,  -0.208)  ( -0.001,   0.003,  -0.162)  ( 0.00,  0.00,  0.95)
185:     vdw     ( 15.292,   3.276,   0.310)  ( 15.292,   3.276,   0.310)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (121.758,  22.361,  13.948)  (121.796,  22.396,  13.907)  ( 0.03,  0.16,  0.29)
185:     bond    (132.390,  45.819,   4.435)  (132.415,  45.839,   4.454)  ( 0.02,  0.04,  0.41)
185:     angle   ( -2.089,  -2.617,  -0.059)  ( -2.077,  -2.605,  -0.050)  ( 0.56,  0.48,  0.05)
185:     torsion ( -0.309,   0.397,   9.614)  ( -0.309,   0.399,   9.619)  ( 0.01,  0.06,  0.06)
185:     oop     ( -0.003,  -0.005,   0.279)  ( -0.002,  -0.004,   0.205)  ( 0.00,  0.00,  2.04)
185:     vdw     ( -8.231, -21.233,  -0.321)  ( -8.231, -21.233,  -0.321)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-99.503, -29.622,   1.878)  (-99.465, -29.589,   1.866)  ( 0.04,  0.11,  0.61)
185:     bond    (-143.684,  -2.026,   1.231)  (-143.658,  -2.008,   1.249)  ( 0.02,  0.90,  1.49)
185:     angle   (  5.465,   2.016,  -2.523)  (  5.477,   2.029,  -2.514)  ( 0.21,  0.64,  0.34)
185:     torsion (  0.033,  -0.108,   2.900)  (  0.033,  -0.108,   2.903)  ( 0.00,  0.00,  0.10)
185:     oop     (  0.003,   0.000,   0.231)  (  0.002,   0.000,   0.189)  ( 0.00,  0.00,  0.95)
185:     vdw     ( 38.681, -29.504,   0.040)  ( 38.682, -29.503,   0.039)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       ( 37.582, -74.411,   1.587)  ( 37.616, -74.375,   1.573)  ( 0.09,  0.05,  0.86)
185:     bond    ( 71.123, -130.243,   0.491)  ( 71.143, -130.219,   0.509)  ( 0.03,  0.02,  0.90)
185:     angle   ( -1.091,   8.131,  -4.336)  ( -1.079,   8.143,  -4.327)  ( 1.15,  0.15,  0.20)
185:     torsion (  0.265,   0.210,   5.207)  (  0.264,   0.209,   5.209)  ( 0.02,  0.00,  0.03)
185:     oop     ( -0.001,   0.003,   0.268)  ( -0.001,   0.002,   0.226)  ( 0.00,  0.00,  1.12)
185:     vdw     (-32.714,  47.488,  -0.043)  (-32.712,  47.489,  -0.043)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (  3.920,  23.932,   2.654)  (  3.926,  23.948,   2.615)  ( 0.15,  0.07,  1.49)
185:     bond    ( -0.122,  26.490,   0.583)  ( -0.122,  26.505,   0.584)  ( 0.00,  0.06,  0.01)
185:     angle   ( -1.585,   0.003,  -0.446)  ( -1.579,   0.003,  -0.446)  ( 0.35,  0.00,  0.01)
185:     torsion (  0.009,  -0.051,   2.319)  (  0.009,  -0.051,   2.323)  ( 0.00,  0.00,  0.18)
185:     oop     (  0.000,  -0.004,   0.190)  (  0.000,  -0.003,   0.147)  ( 0.00,  0.00,  0.83)
185:     vdw     (  5.617,  -2.505,   0.007)  (  5.617,  -2.505,   0.007)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-12.966, -57.351,   0.642)  (-12.962, -57.337,   0.645)  ( 0.03,  0.02,  0.16)
185:     bond    ( -0.882, -53.411,  -2.255)  ( -0.883, -53.397,  -2.256)  ( 0.02,  0.03,  0.01)
185:     angle   (  3.775,  -0.050,  -0.306)  (  3.779,  -0.050,  -0.304)  ( 0.10,  0.00,  0.06)
185:     torsion ( -0.013,  -0.150,   3.548)  ( -0.013,  -0.150,   3.549)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-15.846,  -3.741,  -0.345)  (-15.846,  -3.741,  -0.345)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-29.773,  13.507,  42.731)  (-29.768,  13.511,  42.741)  ( 0.02,  0.03,  0.02)
185:     bond    (-23.962,  15.581,  42.293)  (-23.959,  15.583,  42.302)  ( 0.01,  0.01,  0.02)
185:     angle   ( -0.566,  -0.453,  -0.154)  ( -0.563,  -0.450,  -0.153)  ( 0.15,  0.10,  0.01)
185:     torsion ( -0.955,   2.888,  -1.605)  ( -0.955,   2.888,  -1.605)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.291,  -4.509,   2.197)  ( -4.291,  -4.509,   2.197)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (-28.873,  10.784, -48.345)  (-28.867,  10.788, -48.335)  ( 0.02,  0.04,  0.02)
185:     bond    (-24.956,  20.128, -43.024)  (-24.953,  20.130, -43.016)  ( 0.01,  0.01,  0.02)
185:     angle   (  0.068,  -0.407,  -0.231)  (  0.070,  -0.404,  -0.230)  ( 0.02,  0.09,  0.02)
185:     torsion (  1.119,  -3.172,  -2.133)  (  1.119,  -3.171,  -2.133)  ( 0.00,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.103,  -5.766,  -2.956)  ( -5.103,  -5.766,  -2.956)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       ( 23.298,  35.268, -45.037)  ( 23.302,  35.270, -45.025)  ( 0.02,  0.01,  0.03)
185:     bond    ( 17.270,  13.747, -49.394)  ( 17.271,  13.748, -49.382)  ( 0.01,  0.00,  0.02)
185:     angle   (  0.687,  -0.016,   0.237)  (  0.690,  -0.014,   0.237)  ( 0.23,  0.00,  0.01)
185:     torsion ( -0.153,  23.491,   6.486)  ( -0.153,  23.491,   6.486)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.494,  -1.954,  -2.366)  (  5.494,  -1.954,  -2.366)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       ( 49.465, -47.655,  -7.150)  ( 49.470, -47.643,  -7.148)  ( 0.01,  0.03,  0.03)
185:     bond    ( 19.007, -49.046,  12.655)  ( 19.008, -49.035,  12.656)  ( 0.01,  0.02,  0.00)
185:     angle   ( -5.104,  -1.936,   0.159)  ( -5.101,  -1.936,   0.161)  ( 0.06,  0.03,  0.03)
185:     torsion ( -0.199,  -6.185, -23.664)  ( -0.199,  -6.185, -23.664)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 35.760,   9.512,   3.699)  ( 35.761,   9.512,   3.699)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       ( 39.119,  10.672,  60.557)  ( 39.124,  10.680,  60.564)  ( 0.01,  0.07,  0.01)
185:     bond    ( 18.322,  36.440,  36.440)  ( 18.324,  36.446,  36.446)  ( 0.01,  0.02,  0.02)
185:     angle   ( -1.098,   0.558,  -0.010)  ( -1.095,   0.559,  -0.009)  ( 0.30,  0.07,  0.00)
185:     torsion (  0.352, -17.349,  17.172)  (  0.352, -17.349,  17.172)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 21.543,  -8.977,   6.954)  ( 21.543,  -8.977,   6.954)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-35.374,  34.391,  58.122)  (-35.364,  34.395,  58.128)  ( 0.03,  0.01,  0.01)
185:     bond    (-43.660,  -2.568,  33.124)  (-43.652,  -2.568,  33.129)  ( 0.02,  0.01,  0.01)
185:     angle   (  0.091,  -2.152,  -0.047)  (  0.092,  -2.149,  -0.046)  ( 0.01,  0.16,  0.01)
185:     torsion ( 11.893,   6.719,  16.191)  ( 11.893,   6.719,  16.191)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.697,  32.392,   8.854)  ( -3.697,  32.393,   8.854)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (-10.234,  81.938,   8.082)  (-10.225,  81.948,   8.084)  ( 0.08,  0.01,  0.03)
185:     bond    ( 33.600,  40.238,  17.334)  ( 33.605,  40.245,  17.335)  ( 0.01,  0.02,  0.01)
185:     angle   (  5.938,  -5.064,   0.237)  (  5.940,  -5.063,   0.239)  ( 0.04,  0.03,  0.04)
185:     torsion (  6.440,   3.280, -20.101)  (  6.440,   3.280, -20.101)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-56.212,  43.484,  10.612)  (-56.211,  43.485,  10.612)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-36.608,   7.264, -47.950)  (-36.605,   7.267, -47.938)  ( 0.01,  0.05,  0.03)
185:     bond    (-16.227,  10.670, -49.969)  (-16.226,  10.670, -49.957)  ( 0.01,  0.00,  0.02)
185:     angle   ( -0.546,   1.436,   0.484)  ( -0.544,   1.439,   0.484)  ( 0.11,  0.22,  0.02)
185:     torsion (-18.485, -10.083,   3.851)  (-18.486, -10.083,   3.851)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.349,   5.242,  -2.315)  ( -1.349,   5.242,  -2.315)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 20 # gradients 
185: ok 21 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-153.373, -69.971,  55.658)  (-153.332, -69.935,  55.694)  ( 0.03,  0.05,  0.07)
185:     bond    (-118.434, -27.963, 117.758)  (-118.409, -27.941, 117.778)  ( 0.02,  0.08,  0.02)
185:     angle   ( -7.105, -15.058, -47.730)  ( -7.090, -15.044, -47.715)  ( 0.21,  0.09,  0.03)
185:     torsion (-10.090,  -9.856, -13.607)  (-10.088,  -9.856, -13.605)  ( 0.01,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.745, -17.094,  -0.764)  (-17.744, -17.094,  -0.764)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       ( -6.942,  13.081,  20.181)  ( -6.908,  13.113,  20.212)  ( 0.49,  0.24,  0.15)
185:     bond    ( 93.283, -23.271, -11.981)  ( 93.302, -23.251, -11.964)  ( 0.02,  0.09,  0.15)
185:     angle   (-28.134,  11.848,  54.240)  (-28.122,  11.859,  54.251)  ( 0.04,  0.09,  0.02)
185:     torsion (-32.898,  14.666,   8.358)  (-32.896,  14.667,   8.361)  ( 0.00,  0.01,  0.03)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-39.193,   9.837, -30.436)  (-39.192,   9.837, -30.436)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 22.168,   8.186, -22.647)  ( 22.201,   8.219, -22.615)  ( 0.15,  0.41,  0.14)
185:     bond    ( 34.130, -72.157, 129.290)  ( 34.151, -72.139, 129.309)  ( 0.06,  0.03,  0.01)
185:     angle   ( -1.163,  40.049, -91.327)  ( -1.152,  40.060, -91.316)  ( 0.98,  0.03,  0.01)
185:     torsion (  9.461,  19.306, -33.473)  (  9.462,  19.309, -33.471)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-20.260,  20.988, -27.137)  (-20.259,  20.989, -27.136)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 19.565, -52.815,  20.846)  ( 19.599, -52.756,  21.009)  ( 0.17,  0.11,  0.78)
185:     bond    ( 48.823,  84.861, -70.006)  ( 48.843,  84.880, -69.987)  ( 0.04,  0.02,  0.03)
185:     angle   ( -5.522, -77.195,  86.084)  ( -5.510, -77.183,  86.093)  ( 0.22,  0.02,  0.01)
185:     torsion (-12.453, -18.900,  -6.728)  (-12.453, -18.900,  -6.726)  ( 0.00,  0.00,  0.03)
185:     oop     ( -0.003,  -0.171,  -0.864)  ( -0.003,  -0.144,  -0.731)  ( 0.00,  0.46, 11.49)
185:     vdw     (-11.280, -41.409,  12.360)  (-11.279, -41.408,  12.360)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-74.504,  88.704, -49.250)  (-74.460,  88.676, -49.561)  ( 0.06,  0.03,  0.63)
185:     bond    (-49.325,  74.332,  -9.055)  (-49.296,  74.356,  -9.054)  ( 0.06,  0.03,  0.02)
185:     angle   (-37.756,  68.135, -81.092)  (-37.744,  68.149, -81.087)  ( 0.03,  0.02,  0.01)
185:     torsion (  9.057,  -4.154,  31.762)  (  9.058,  -4.154,  31.771)  ( 0.00,  0.02,  0.03)
185:     oop     ( -0.002,   0.412,   2.075)  ( -0.002,   0.345,   1.748)  ( 0.00,  2.74, 15.78)
185:     vdw     (  3.522, -50.020,   7.060)  (  3.523, -50.020,   7.060)  ( 0.04,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 33.890, -79.244,  24.868)  ( 33.942, -79.224,  24.727)  ( 0.15,  0.03,  0.56)
185:     bond    ( -0.246,  24.304,  -2.518)  ( -0.216,  24.326,  -2.517)  ( 0.72,  0.09,  0.05)
185:     angle   ( 17.675, -45.694,  20.609)  ( 17.684, -45.680,  20.610)  ( 0.05,  0.03,  0.01)
185:     torsion ( -2.010,  -7.625, -12.160)  ( -2.010,  -7.624, -12.145)  ( 0.01,  0.01,  0.13)
185:     oop     ( -0.087,   0.129,   1.010)  ( -0.074,   0.111,   0.851)  ( 0.12,  0.23, 15.68)
185:     vdw     ( 18.558, -50.358,  17.928)  ( 18.559, -50.356,  17.928)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( -6.479,  29.201, -24.347)  ( -6.453,  29.250, -24.212)  ( 0.41,  0.17,  0.56)
185:     bond    (-86.066,  82.942,   2.549)  (-86.047,  82.962,   2.567)  ( 0.02,  0.02,  0.71)
185:     angle   ( 65.451, -10.781, -20.767)  ( 65.463, -10.769, -20.759)  ( 0.02,  0.11,  0.04)
185:     torsion (  4.651, -11.128, -21.212)  (  4.652, -11.128, -21.208)  ( 0.02,  0.01,  0.02)
185:     oop     (  0.039,  -0.090,  -0.588)  (  0.033,  -0.075,  -0.483)  ( 0.03,  0.14,  6.18)
185:     vdw     (  9.445, -31.740,  15.670)  (  9.446, -31.740,  15.671)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-50.352, -14.112,  19.394)  (-50.316, -14.075,  19.428)  ( 0.07,  0.26,  0.18)
185:     bond    ( -4.083, -21.222, -134.545)  ( -4.063, -21.202, -134.526)  ( 0.49,  0.09,  0.01)
185:     angle   (-64.949,  37.155, 145.170)  (-64.935,  37.168, 145.182)  ( 0.02,  0.04,  0.01)
185:     torsion (-11.505,  -5.383,   9.994)  (-11.504,  -5.381,   9.996)  ( 0.01,  0.04,  0.03)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 30.185, -24.662,  -1.225)  ( 30.186, -24.661,  -1.224)  ( 0.00,  0.00,  0.02)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       ( 19.680,  49.353,  29.199)  ( 19.719,  49.388,  29.233)  ( 0.20,  0.07,  0.12)
185:     bond    (-47.975,  73.579,  64.884)  (-47.954,  73.599,  64.903)  ( 0.05,  0.03,  0.03)
185:     angle   ( 40.405,  20.098, -37.865)  ( 40.420,  20.112, -37.852)  ( 0.04,  0.07,  0.03)
185:     torsion ( -6.307, -21.411, -22.443)  ( -6.305, -21.409, -22.440)  ( 0.03,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 33.556, -22.914,  24.622)  ( 33.557, -22.913,  24.623)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       ( 15.692,   0.042, -50.217)  ( 15.721,   0.074, -50.188)  ( 0.19,  0.14,  0.06)
185:     bond    ( 17.964, 117.602, -67.197)  ( 17.982, 117.622, -67.178)  ( 0.10,  0.02,  0.03)
185:     angle   (-40.242, -75.341,  51.453)  (-40.231, -75.329,  51.464)  ( 0.03,  0.02,  0.02)
185:     torsion (  5.566, -24.566, -27.007)  (  5.566, -24.565, -27.008)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 32.404, -17.654,  -7.466)  ( 32.405, -17.653,  -7.466)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (-21.940,   1.245, -20.594)  (-21.909,   1.274, -20.565)  ( 0.15,  2.34,  0.14)
185:     bond    (-151.842, -12.958, -56.391)  (-151.822, -12.939, -56.372)  ( 0.01,  0.14,  0.03)
185:     angle   (120.348,  37.858,  32.910)  (120.361,  37.868,  32.920)  ( 0.01,  0.03,  0.03)
185:     torsion ( -1.948,   4.264,   6.229)  ( -1.949,   4.263,   6.228)  ( 0.03,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.501, -27.918,  -3.341)  ( 11.501, -27.917,  -3.341)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-34.430,  10.516,  70.214)  (-34.397,  10.554,  70.245)  ( 0.10,  0.36,  0.04)
185:     bond    (-90.912, 117.802, 125.753)  (-90.893, 117.824, 125.773)  ( 0.02,  0.02,  0.02)
185:     angle   ( 31.272, -134.270, -78.723)  ( 31.285, -134.256, -78.712)  ( 0.04,  0.01,  0.01)
185:     torsion ( 10.256,  30.515,   9.567)  ( 10.257,  30.516,   9.568)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 14.953,  -3.531,  13.616)  ( 14.954,  -3.530,  13.617)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (  1.059,  33.761, -43.609)  (  1.093,  33.795, -43.577)  ( 3.21,  0.10,  0.07)
185:     bond    (132.862, -184.020, -37.633)  (132.882, -184.000, -37.613)  ( 0.02,  0.01,  0.05)
185:     angle   (-133.412, 190.940,  17.812)  (-133.399, 190.953,  17.823)  ( 0.01,  0.01,  0.06)
185:     torsion ( -3.930,  23.835, -14.652)  ( -3.929,  23.837, -14.651)  ( 0.02,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.539,   3.005,  -9.136)  (  5.539,   3.005,  -9.136)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       ( -9.168,  -5.874,  -3.147)  ( -9.136,  -5.841,  -3.117)  ( 0.35,  0.56,  0.96)
185:     bond    (-159.132, 160.549, -91.198)  (-159.112, 160.569, -91.179)  ( 0.01,  0.01,  0.02)
185:     angle   (137.891, -183.388,  64.718)  (137.902, -183.377,  64.727)  ( 0.01,  0.01,  0.01)
185:     torsion (  6.365,   0.090,  14.498)  (  6.366,   0.091,  14.500)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.708,  16.876,   8.835)  (  5.708,  16.877,   8.835)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
181:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
181:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 16 # gradients 
181: ok 17 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
185: 15       (-22.747,  -7.527,  -2.453)  (-22.715,  -7.494,  -2.424)  ( 0.14,  0.44,  1.22)
185:     bond    ( 76.533, -190.531,  43.415)  ( 76.553, -190.512,  43.434)  ( 0.03,  0.01,  0.04)
185:     angle   (-103.016, 195.873, -65.251)  (-103.005, 195.885, -65.243)  ( 0.01,  0.01,  0.01)
185:     torsion ( -9.947,   8.312,  -0.300)  ( -9.946,   8.313,  -0.297)  ( 0.01,  0.01,  0.06)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 13.682, -21.181,  19.682)  ( 13.683, -21.180,  19.683)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       ( -8.745,   0.117,  51.246)  ( -8.712,   0.149,  51.276)  ( 0.37,  0.37,  0.06)
185:     bond    (-75.225, 151.138, -61.792)  (-75.205, 151.157, -61.773)  ( 0.03,  0.01,  0.03)
185:     angle   ( 62.075, -144.854,  68.861)  ( 62.087, -144.843,  68.870)  ( 0.02,  0.01,  0.01)
185:     torsion (  7.495,  -5.083,  45.088)  (  7.495,  -5.082,  45.090)  ( 0.00,  0.02,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.090,  -1.084,  -0.911)  ( -3.090,  -1.084,  -0.911)  ( 0.01,  0.04,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       ( 25.523,   1.799,  -0.167)  ( 25.556,   1.834,  -0.136)  ( 0.13,  1.97,  0.52)
185:     bond    (-18.136, -82.738, 108.231)  (-18.117, -82.716, 108.249)  ( 0.11,  0.03,  0.02)
185:     angle   ( 17.917,  69.072, -92.513)  ( 17.930,  69.084, -92.502)  ( 0.07,  0.02,  0.01)
185:     torsion ( 17.104,  12.259, -16.637)  ( 17.105,  12.260, -16.635)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  8.639,   3.206,   0.752)  (  8.639,   3.206,   0.752)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       ( -1.860, -10.840,  31.164)  ( -1.831, -10.812,  31.192)  ( 1.59,  0.26,  0.09)
185:     bond    ( 59.323, -67.341, -22.835)  ( 59.341, -67.322, -22.816)  ( 0.03,  0.03,  0.08)
185:     angle   (-73.315,  25.387,  34.174)  (-73.305,  25.396,  34.183)  ( 0.01,  0.03,  0.03)
185:     torsion ( 17.309,   4.534,  25.099)  ( 17.310,   4.534,  25.101)  ( 0.00,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.178,  26.580,  -5.275)  ( -5.177,  26.580,  -5.275)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (-12.415, -17.062, -31.821)  (-12.385, -17.032, -31.792)  ( 0.24,  0.17,  0.09)
185:     bond    (-106.875,  -6.292, -41.131)  (-106.856,  -6.274, -41.113)  ( 0.02,  0.29,  0.04)
185:     angle   ( 56.550,  -8.060,  40.383)  ( 56.559,  -8.051,  40.392)  ( 0.02,  0.12,  0.02)
185:     torsion ( 10.529,  -5.637, -24.337)  ( 10.530,  -5.635, -24.336)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 27.381,   2.927,  -6.735)  ( 27.381,   2.928,  -6.735)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-21.251,   7.931,  21.259)  (-21.222,   7.962,  21.288)  ( 0.14,  0.38,  0.14)
185:     bond    ( 23.687, -49.666, 112.171)  ( 23.705, -49.648, 112.191)  ( 0.08,  0.04,  0.02)
185:     angle   (  5.209,  34.652, -63.076)  (  5.219,  34.662, -63.067)  ( 0.18,  0.03,  0.01)
185:     torsion (-21.776,  -6.463,   0.221)  (-21.775,  -6.461,   0.222)  ( 0.01,  0.02,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-28.372,  29.408, -28.058)  (-28.371,  29.410, -28.058)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       ( 24.080, -69.418, -20.760)  ( 24.120, -69.382, -20.722)  ( 0.16,  0.05,  0.18)
185:     bond    (135.254, -12.790, -16.925)  (135.277, -12.771, -16.904)  ( 0.02,  0.15,  0.12)
185:     angle   (-108.854, -51.139, -21.709)  (-108.838, -51.125, -21.694)  ( 0.01,  0.03,  0.07)
185:     torsion (-15.523, -14.689,  20.072)  (-15.522, -14.687,  20.073)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 13.203,   9.200,  -2.198)  ( 13.203,   9.201,  -2.198)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (  5.068,  -3.362,  12.702)  (  5.098,  -3.332,  12.731)  ( 0.59,  0.88,  0.24)
185:     bond    ( 36.092, -60.119, -133.482)  ( 36.109, -60.101, -133.463)  ( 0.05,  0.03,  0.01)
185:     angle   (-21.003,  23.373,  98.749)  (-20.993,  23.382,  98.758)  ( 0.05,  0.04,  0.01)
185:     torsion (  4.464, -11.648,   6.174)  (  4.466, -11.646,   6.175)  ( 0.03,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-14.485,  45.031,  41.261)  (-14.484,  45.032,  41.261)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( -1.075,  35.661, -27.232)  ( -1.043,  35.694, -27.200)  ( 3.02,  0.09,  0.12)
185:     bond    (-59.491, -98.316, 109.543)  (-59.471, -98.297, 109.562)  ( 0.03,  0.02,  0.02)
185:     angle   ( 78.747,  50.708, -103.048)  ( 78.758,  50.719, -103.037)  ( 0.01,  0.02,  0.01)
185:     torsion ( -2.005,  47.425,  -9.989)  ( -2.004,  47.427,  -9.987)  ( 0.04,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-18.327,  35.843, -23.738)  (-18.326,  35.844, -23.737)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-21.460,  28.710,  24.501)  (-21.427,  28.742,  24.531)  ( 0.16,  0.11,  0.13)
185:     bond    (149.796, -96.925, -10.303)  (149.815, -96.904, -10.285)  ( 0.01,  0.02,  0.18)
185:     angle   (-115.617,  81.993,  71.317)  (-115.605,  82.004,  71.327)  ( 0.01,  0.01,  0.01)
185:     torsion (-28.846,  17.622,   6.086)  (-28.845,  17.623,   6.089)  ( 0.00,  0.01,  0.04)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-26.793,  26.019, -42.600)  (-26.792,  26.020, -42.599)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (  4.159, -42.273, -21.119)  (  4.195, -42.234, -21.085)  ( 0.87,  0.09,  0.16)
185:     bond    (-129.458,  -4.452, 152.042)  (-129.438,  -4.431, 152.061)  ( 0.02,  0.47,  0.01)
185:     angle   (127.747, -66.671, -101.924)  (127.761, -66.657, -101.913)  ( 0.01,  0.02,  0.01)
185:     torsion ( 15.740, -13.912, -52.855)  ( 15.741, -13.910, -52.852)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -9.870,  42.763, -18.381)  ( -9.869,  42.764, -18.381)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       ( 54.252,   2.864,  38.220)  ( 54.289,   2.927,  38.404)  ( 0.07,  2.20,  0.48)
185:     bond    (116.744,   8.696, -58.261)  (116.765,   8.717, -58.240)  ( 0.02,  0.24,  0.04)
185:     angle   (-44.442, -21.743,  72.828)  (-44.426, -21.729,  72.841)  ( 0.04,  0.07,  0.02)
185:     torsion ( -9.082,  -1.376,  27.007)  ( -9.081,  -1.373,  27.010)  ( 0.01,  0.19,  0.01)
185:     oop     (  0.010,  -0.147,  -0.875)  (  0.007,  -0.123,  -0.729)  ( 0.00,  0.36, 12.86)
185:     vdw     ( -8.978,  17.434,  -2.478)  ( -8.977,  17.435,  -2.478)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       ( -4.690,  -0.608, -12.611)  ( -4.661,  -0.578, -12.582)  ( 0.63,  1.82,  0.24)
185:     bond    ( 38.557, -66.637, -124.644)  ( 38.575, -66.619, -124.625)  ( 0.05,  0.03,  0.02)
185:     angle   (-16.684,  68.990,  73.148)  (-16.674,  69.000,  73.157)  ( 0.06,  0.01,  0.01)
185:     torsion (-18.479, -14.465,   0.974)  (-18.478, -14.463,   0.974)  ( 0.01,  0.01,  0.04)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
181:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
181:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
181:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
181:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
181:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
181:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
181:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
181:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
181:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
181:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
181:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
185:     vdw     ( -8.085,  11.503,  37.911)  ( -8.084,  11.504,  37.911)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (141.957,  62.584,  24.275)  (141.982,  62.594,  24.302)  ( 0.02,  0.02,  0.11)
185:     bond    (187.677,  96.952,   6.946)  (187.700,  96.958,   6.963)  ( 0.01,  0.01,  0.25)
185:     angle   (-29.664,   0.677,  50.012)  (-29.662,   0.680,  50.021)  ( 0.01,  0.21,  0.02)
185:     torsion ( -0.245, -22.328, -25.408)  ( -0.245, -22.328, -25.407)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-15.811, -12.717,  -7.275)  (-15.810, -12.717,  -7.275)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 44.583,  -7.909, -27.026)  ( 44.587,  -7.903, -27.014)  ( 0.01,  0.08,  0.04)
185:     bond    (  3.150,  -7.872, -16.573)  (  3.150,  -7.869, -16.562)  ( 0.01,  0.03,  0.07)
185:     angle   ( -2.086,  -9.527,   4.128)  ( -2.083,  -9.524,   4.129)  ( 0.15,  0.03,  0.02)
185:     torsion ( 36.936,   6.164,   4.096)  ( 36.937,   6.164,   4.096)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.582,   3.325, -18.678)  (  6.583,   3.326, -18.677)  ( 0.01,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (-15.966,  20.151,  24.480)  (-15.961,  20.156,  24.493)  ( 0.03,  0.03,  0.05)
185:     bond    ( -7.259,  10.575,  35.044)  ( -7.259,  10.576,  35.056)  ( 0.00,  0.01,  0.03)
185:     angle   ( -6.563,   7.386,  -3.588)  ( -6.559,   7.389,  -3.587)  ( 0.05,  0.04,  0.01)
185:     torsion (-23.887,  13.197,  -8.927)  (-23.886,  13.198,  -8.927)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 21.742, -11.007,   1.952)  ( 21.743, -11.006,   1.952)  ( 0.01,  0.01,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       ( 28.424,   7.133, -42.440)  ( 28.429,   7.138, -42.428)  ( 0.02,  0.08,  0.03)
185:     bond    (  3.220,  -5.723, -17.457)  (  3.220,  -5.722, -17.445)  ( 0.01,  0.02,  0.07)
185:     angle   ( -2.774,  10.732,  -4.033)  ( -2.771,  10.735,  -4.032)  ( 0.12,  0.03,  0.01)
185:     torsion ( 22.776,  30.753,  -5.883)  ( 22.777,  30.754,  -5.883)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.202, -28.629, -15.067)  (  5.203, -28.628, -15.067)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       ( 94.571,  22.195, -55.139)  ( 94.577,  22.200, -55.127)  ( 0.01,  0.02,  0.02)
185:     bond    (  6.823, -15.057, -30.941)  (  6.824, -15.054, -30.931)  ( 0.01,  0.02,  0.03)
185:     angle   ( 14.968,  11.099,  -2.101)  ( 14.971,  11.102,  -2.101)  ( 0.02,  0.03,  0.03)
185:     torsion ( 41.437,  24.281,  -2.676)  ( 41.437,  24.281,  -2.676)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 31.343,   1.871, -19.420)  ( 31.344,   1.872, -19.420)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (-25.643,   6.133, -28.436)  (-25.635,   6.137, -28.427)  ( 0.03,  0.06,  0.03)
185:     bond    (-20.780,   4.981, -23.834)  (-20.774,   4.982, -23.826)  ( 0.03,  0.00,  0.03)
185:     angle   ( 17.263,  -7.511, -16.624)  ( 17.264,  -7.508, -16.622)  ( 0.01,  0.04,  0.01)
185:     torsion (-14.457,   3.681,  13.374)  (-14.456,   3.681,  13.374)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -7.669,   4.981,  -1.353)  ( -7.669,   4.982,  -1.352)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       ( 21.404,   9.267,  51.371)  ( 21.409,   9.272,  51.382)  ( 0.03,  0.06,  0.02)
185:     bond    (-15.107,  13.559,  27.613)  (-15.105,  13.561,  27.622)  ( 0.02,  0.02,  0.03)
185:     angle   ( 27.787,  -5.154,  17.724)  ( 27.789,  -5.151,  17.725)  ( 0.01,  0.05,  0.01)
185:     torsion ( 30.926,  -5.029,  19.380)  ( 30.927,  -5.029,  19.381)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-22.202,   5.891, -13.347)  (-22.202,   5.891, -13.346)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       ( 16.406, -38.434, -25.285)  ( 16.411, -38.430, -25.273)  ( 0.03,  0.01,  0.05)
185:     bond    (  9.915,  -9.714, -27.660)  (  9.916,  -9.713, -27.649)  ( 0.01,  0.01,  0.04)
185:     angle   ( 12.153,  -6.961,   6.804)  ( 12.156,  -6.959,   6.804)  ( 0.02,  0.03,  0.01)
185:     torsion (  0.506, -26.055,   9.335)  (  0.506, -26.055,   9.335)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.167,   4.296, -13.763)  ( -6.166,   4.297, -13.763)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       ( -0.427,  41.149, -10.757)  ( -0.423,  41.163, -10.754)  ( 0.18,  0.03,  0.03)
185:     bond    ( -6.965,  35.011,  -3.353)  ( -6.964,  35.024,  -3.353)  ( 0.01,  0.04,  0.00)
185:     angle   ( 10.464,   3.532,  15.148)  ( 10.467,   3.532,  15.151)  ( 0.03,  0.01,  0.02)
185:     torsion (  7.604,   0.364, -11.995)  (  7.604,   0.364, -11.994)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-11.531,   2.243, -10.558)  (-11.530,   2.243, -10.558)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       ( -8.832,  62.541,  30.027)  ( -8.828,  62.544,  30.039)  ( 0.05,  0.00,  0.04)
185:     bond    (-10.934,   3.951,  30.250)  (-10.933,   3.951,  30.262)  ( 0.01,  0.00,  0.04)
185:     angle   ( -6.824,  19.150,  -4.966)  ( -6.821,  19.152,  -4.965)  ( 0.04,  0.01,  0.01)
185:     torsion ( -0.136,  45.168,  -5.947)  ( -0.136,  45.168,  -5.947)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.062,  -5.728,  10.689)  (  9.063,  -5.727,  10.689)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (  3.940, -39.525,  28.389)  (  3.944, -39.511,  28.392)  ( 0.12,  0.03,  0.01)
185:     bond    (  5.472, -27.716,  -2.162)  (  5.472, -27.702,  -2.162)  ( 0.01,  0.05,  0.00)
185:     angle   ( 28.211,   6.634, -13.586)  ( 28.215,   6.634, -13.584)  ( 0.01,  0.00,  0.02)
185:     torsion (-11.974,  -5.473,  39.824)  (-11.973,  -5.473,  39.824)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.770, -12.970,   4.314)  (-17.769, -12.970,   4.314)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       (-11.360,   9.849, -23.675)  (-11.361,   9.882, -23.568)  ( 0.01,  0.33,  0.45)
185:     bond    ( -1.097,  20.505,  -3.627)  ( -1.097,  20.519,  -3.627)  ( 0.01,  0.07,  0.01)
185:     angle   (-28.664,  -1.892,  -2.033)  (-28.661,  -1.892,  -2.033)  ( 0.01,  0.00,  0.00)
185:     torsion (  2.012,  -3.156, -18.466)  (  2.012,  -3.156, -18.462)  ( 0.00,  0.00,  0.02)
185:     oop     (  0.044,  -0.132,  -0.759)  (  0.038,  -0.114,  -0.657)  ( 0.02,  0.23,  7.78)
185:     vdw     ( 16.346,  -5.476,   1.211)  ( 16.347,  -5.476,   1.211)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 40       ( 36.308,   6.034,  29.955)  ( 36.314,   6.038,  29.964)  ( 0.02,  0.07,  0.03)
185:     bond    ( 18.767, -10.397,  28.481)  ( 18.771, -10.396,  28.490)  ( 0.02,  0.01,  0.03)
185:     angle   ( -1.700,   6.406,   3.457)  ( -1.698,   6.409,   3.458)  ( 0.11,  0.05,  0.02)
185:     torsion ( 16.501,  18.716,  -4.044)  ( 16.502,  18.716,  -4.043)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.183,   0.066,  -0.115)  (  0.183,   0.066,  -0.115)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  7       ( 14.159, -16.794, -29.238)  ( 14.160, -16.793, -29.236)  ( 0.01,  0.01,  0.01)
183:     bond    ( -9.329, -13.205, -22.882)  ( -9.329, -13.205, -22.880)  ( 0.00,  0.01,  0.01)
183:     angle   (  2.378,  -0.394,  -0.743)  (  2.378,  -0.394,  -0.742)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( 13.873,  -2.530,  -4.384)  ( 13.873,  -2.530,  -4.384)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.001,   0.000)  (  0.000,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.238,  -0.665,  -1.230)  (  7.238,  -0.665,  -1.230)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  8       ( 27.412, -19.113,  -1.101)  ( 27.414, -19.112,  -1.100)  ( 0.01,  0.00,  0.05)
183:     bond    ( 28.025,  -0.000,  -0.000)  ( 28.028,   0.000,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   ( -0.000,  -2.447,  -0.010)  (  0.000,  -2.447,  -0.009)  ( 0.00,  0.02,  0.00)
183:     strbnd  (  0.148, -14.767,  -0.000)  (  0.148, -14.767,  -0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.762,  -1.899,  -1.090)  ( -0.762,  -1.899,  -1.090)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (-19.291,  -2.738,  27.067)  (-19.291,  -2.737,  27.069)  ( 0.00,  0.04,  0.01)
183:     bond    ( -9.334,  13.208,  22.872)  ( -9.334,  13.209,  22.874)  ( 0.00,  0.01,  0.01)
183:     angle   ( -1.157,  -2.100,   0.740)  ( -1.157,  -2.099,   0.740)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -7.020, -12.229,   4.389)  ( -7.020, -12.229,   4.389)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,  -0.000,   0.000)  (  0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.780,  -1.617,  -0.934)  ( -1.780,  -1.617,  -0.934)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 10       (-19.016,  -5.032, -27.526)  (-19.015,  -5.031, -27.524)  ( 0.00,  0.02,  0.01)
183:     bond    ( -9.322,  13.191, -22.863)  ( -9.321,  13.191, -22.861)  ( 0.00,  0.01,  0.01)
183:     angle   ( -1.152,  -2.108,  -0.747)  ( -1.152,  -2.107,  -0.746)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -7.016, -12.234,  -4.385)  ( -7.016, -12.234,  -4.385)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,  -0.000,  -0.000)  (  0.001,  -0.000,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.527,  -3.881,   0.468)  ( -1.527,  -3.881,   0.468)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 11       ( 27.424,  10.493,  15.999)  ( 27.427,  10.494,  16.000)  ( 0.01,  0.01,  0.00)
183:     bond    ( 28.025,  -0.007,  -0.015)  ( 28.028,  -0.007,  -0.015)  ( 0.01,  0.00,  0.00)
183:     angle   (  0.001,   1.221,   2.128)  (  0.001,   1.221,   2.129)  ( 0.00,  0.03,  0.02)
183:     strbnd  (  0.159,   7.384,  12.785)  (  0.159,   7.384,  12.785)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.001,  -0.001)  ( -0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.761,   1.895,   1.101)  ( -0.761,   1.895,   1.101)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 12       (-19.052,  26.348,  -9.424)  (-19.051,  26.349,  -9.422)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.739,  -8.691,   2.060)  (  2.739,  -8.691,   2.060)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 41       ( -3.055, -21.255, -46.663)  ( -3.049, -21.250, -46.653)  ( 0.18,  0.02,  0.02)
185:     bond    ( 18.481, -11.472, -29.819)  ( 18.484, -11.471, -29.810)  ( 0.02,  0.01,  0.03)
185:     angle   (  2.922,  21.454,  -6.444)  (  2.924,  21.456,  -6.443)  ( 0.07,  0.01,  0.01)
185:     torsion (-22.485, -13.659,  -8.686)  (-22.484, -13.659,  -8.686)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.973, -17.577,  -1.714)  ( -1.973, -17.577,  -1.714)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 42       (-17.819,  36.412,  43.503)  (-17.816,  36.415,  43.517)  ( 0.02,  0.01,  0.03)
185:     bond    ( -7.195,  -1.910,  37.298)  ( -7.195,  -1.910,  37.312)  ( 0.00,  0.01,  0.04)
185:     angle   (-15.370,  18.468,  -2.018)  (-15.367,  18.471,  -2.018)  ( 0.02,  0.01,  0.00)
185:     torsion ( -1.188,  41.884,   1.915)  ( -1.188,  41.884,   1.915)  ( 0.03,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.934, -22.031,   6.308)  (  5.934, -22.030,   6.308)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 43       (  4.327, -52.811,   8.132)  (  4.332, -52.800,   8.135)  ( 0.11,  0.02,  0.03)
185:     bond    ( 15.124, -34.548, -10.635)  ( 15.126, -34.538, -10.634)  ( 0.01,  0.03,  0.01)
185:     angle   (  2.229,   8.850, -25.573)  (  2.232,   8.850, -25.570)  ( 0.11,  0.01,  0.01)
185:     torsion (-14.616, -17.750,  36.861)  (-14.616, -17.750,  36.861)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.589,  -9.362,   7.479)  (  1.590,  -9.362,   7.479)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 44       (-18.443,  12.453,  56.330)  (-18.440,  12.458,  56.341)  ( 0.02,  0.04,  0.02)
185:     bond    ( 14.507,  17.400,  38.285)  ( 14.508,  17.402,  38.296)  ( 0.01,  0.01,  0.03)
185:     angle   (-18.110,  22.092,  -3.181)  (-18.108,  22.095,  -3.180)  ( 0.01,  0.01,  0.02)
185:     torsion (-21.422, -19.062,  16.778)  (-21.422, -19.062,  16.778)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.582,  -7.977,   4.447)  (  6.582,  -7.977,   4.447)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 45       ( 50.114,  12.768, -16.909)  ( 50.124,  12.772, -16.904)  ( 0.02,  0.03,  0.03)
185:     bond    ( 28.379, -12.263, -17.863)  ( 28.388, -12.261, -17.859)  ( 0.03,  0.01,  0.02)
185:     angle   ( -7.540,  -4.218,  -9.092)  ( -7.539,  -4.216,  -9.090)  ( 0.01,  0.06,  0.02)
185:     torsion ( 15.446,  29.140,   4.546)  ( 15.446,  29.140,   4.545)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 13.829,   0.108,   5.500)  ( 13.830,   0.108,   5.500)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 46       ( 17.258, -74.872, -16.201)  ( 17.261, -74.865, -16.188)  ( 0.02,  0.01,  0.08)
185:     bond    (  2.525,  -6.603, -19.217)  (  2.525,  -6.602, -19.205)  ( 0.00,  0.02,  0.06)
185:     angle   ( -4.537,  11.154,  -4.432)  ( -4.534,  11.157,  -4.431)  ( 0.07,  0.03,  0.01)
185:     torsion (  6.819, -47.163,  17.109)  (  6.819, -47.162,  17.108)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 12.449, -32.261,  -9.660)  ( 12.450, -32.259,  -9.660)  ( 0.01,  0.01,  0.00)
183:     bond    ( -9.344,  13.207, -22.875)  ( -9.344,  13.208, -22.874)  ( 0.00,  0.01,  0.01)
183:     angle   ( -1.160,   1.692,   1.451)  ( -1.160,   1.692,   1.451)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -7.010,   9.918,   8.398)  ( -7.010,   9.918,   8.398)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,  -0.001,   0.000)  ( -0.001,  -0.001,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.536,   1.532,   3.602)  ( -1.536,   1.532,   3.602)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       (-19.294, -22.069,  15.940)  (-19.293, -22.066,  15.940)  ( 0.00,  0.01,  0.00)
183:     bond    ( -9.343, -26.426,   0.015)  ( -9.342, -26.424,   0.015)  ( 0.00,  0.01,  0.00)
183:     angle   ( -1.157,   0.410,   2.200)  ( -1.157,   0.410,   2.200)  ( 0.03,  0.00,  0.02)
183:     strbnd  ( -7.007,   2.322,  12.788)  ( -7.007,   2.322,  12.788)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.002,  -0.001,   0.001)  (  0.002,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.789,   1.626,   0.936)  ( -1.789,   1.626,   0.936)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 12 # gradients 
183: ok 13 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/atorvastin.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 47       ( -2.346,  17.106,  26.971)  ( -2.338,  17.112,  26.979)  ( 0.34,  0.04,  0.03)
185:     bond    (-24.673,  23.429,  25.665)  (-24.669,  23.434,  25.670)  ( 0.02,  0.02,  0.02)
185:     angle   (-11.688, -14.038,   1.582)  (-11.686, -14.036,   1.584)  ( 0.02,  0.02,  0.12)
185:     torsion (  5.673, -11.971,  16.379)  (  5.673, -11.971,  16.379)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 28.343,  19.686, -16.655)  ( 28.344,  19.686, -16.654)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 48       (  3.916, -11.977, -70.615)  (  3.923, -11.969, -70.610)  ( 0.19,  0.06,  0.01)
185:     bond    ( 23.281, -24.777, -18.786)  ( 23.286, -24.772, -18.783)  ( 0.02,  0.02,  0.02)
185:     angle   ( -3.238,   3.945,  -9.218)  ( -3.236,   3.946,  -9.216)  ( 0.06,  0.04,  0.02)
185:     torsion (-16.522,  17.754, -43.899)  (-16.523,  17.754, -43.899)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.395,  -8.898,   1.288)  (  0.396,  -8.898,   1.288)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 49       ( 32.071, -33.304,  25.059)  ( 32.075, -33.300,  25.072)  ( 0.01,  0.01,  0.05)
185:     bond    (  1.999,  -6.832,  29.850)  (  1.998,  -6.831,  29.863)  ( 0.00,  0.01,  0.04)
185:     angle   ( -7.301,  -5.703,  -0.816)  ( -7.298,  -5.700,  -0.815)  ( 0.04,  0.05,  0.01)
185:     torsion ( 29.488, -23.263,  -7.295)  ( 29.488, -23.262,  -7.295)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.885,   2.492,   3.320)  (  7.886,   2.493,   3.320)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 50       (-42.456,  36.563,   2.121)  (-42.451,  36.570,   2.129)  ( 0.01,  0.02,  0.40)
185:     bond    (-12.892,  19.154,  24.179)  (-12.890,  19.158,  24.186)  ( 0.01,  0.02,  0.03)
185:     angle   (  2.102,  -1.369,   2.203)  (  2.104,  -1.367,   2.204)  ( 0.12,  0.14,  0.05)
185:     torsion (-23.627,  17.730, -26.636)  (-23.626,  17.730, -26.636)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.039,   1.048,   2.375)  ( -8.039,   1.049,   2.375)  ( 0.00,  0.04,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 51       ( 52.952,  -9.860, -46.709)  ( 52.958,  -9.855, -46.698)  ( 0.01,  0.05,  0.02)
185:     bond    (-15.220,  19.983, -45.230)  (-15.219,  19.985, -45.219)  ( 0.01,  0.01,  0.02)
185:     angle   (-20.705, -20.061,  -1.898)  (-20.702, -20.058,  -1.898)  ( 0.01,  0.01,  0.03)
185:     torsion ( 29.317, -32.429, -24.199)  ( 29.317, -32.428, -24.198)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 59.560,  22.646,  24.617)  ( 59.562,  22.646,  24.618)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 52       (-30.119,   0.338,  61.014)  (-30.115,   0.342,  61.026)  ( 0.01,  0.13,  0.02)
185:     bond    ( 12.586,  -9.382,  34.918)  ( 12.587,  -9.382,  34.929)  ( 0.01,  0.01,  0.03)
185:     angle   ( -6.602,  16.545,   6.822)  ( -6.600,  16.547,   6.823)  ( 0.04,  0.01,  0.01)
185:     torsion (-29.059,   7.019,  12.357)  (-29.059,   7.019,  12.357)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -7.043, -13.843,   6.917)  ( -7.043, -13.842,   6.917)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 53       ( 33.764, -28.975,  -6.678)  ( 33.769, -28.966,  -6.671)  ( 0.02,  0.03,  0.11)
185:     bond    ( 10.870, -19.294, -17.724)  ( 10.872, -19.288, -17.719)  ( 0.02,  0.03,  0.03)
185:     angle   (-11.286,  -8.512,   2.339)  (-11.283,  -8.510,   2.340)  ( 0.02,  0.02,  0.06)
185:     torsion ( 26.667,   8.579,   7.023)  ( 26.667,   8.580,   7.023)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.513,  -9.748,   1.685)  (  7.513,  -9.748,   1.685)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 54       (-47.852,  -9.022, -44.500)  (-47.849,  -9.018, -44.486)  ( 0.01,  0.05,  0.03)
185:     bond    (  2.526,  -0.643, -28.750)  (  2.526,  -0.643, -28.736)  ( 0.00,  0.01,  0.05)
185:     angle   ( -0.268,  -2.711,   0.037)  ( -0.265,  -2.707,   0.037)  ( 0.08,  0.13,  0.00)
185:     torsion (-50.211,  -9.373,  -4.203)  (-50.210,  -9.372,  -4.203)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.100,   3.705, -11.584)  (  0.101,   3.705, -11.584)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 55       (-38.239,  -5.705, -32.015)  (-38.226,  -5.702, -32.012)  ( 0.03,  0.06,  0.01)
185:     bond    (-46.113,  -4.032, -13.586)  (-46.100,  -4.032, -13.585)  ( 0.03,  0.00,  0.01)
185:     angle   (  3.509, -32.715,  -2.200)  (  3.509, -32.712,  -2.198)  ( 0.00,  0.01,  0.09)
185:     torsion (  3.705,   6.365, -14.463)  (  3.705,   6.365, -14.463)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.660,  24.677,  -1.765)  (  0.660,  24.678,  -1.765)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 56       (-20.074, -19.534,  52.018)  (-20.072, -19.531,  52.032)  ( 0.01,  0.02,  0.03)
185:     bond    (  1.302,   8.678,  40.215)  (  1.302,   8.678,  40.229)  ( 0.01,  0.01,  0.03)
185:     angle   (  9.027, -24.582,   5.010)  (  9.029, -24.580,   5.010)  ( 0.02,  0.01,  0.00)
185:     torsion (-17.002, -12.013,   3.142)  (-17.002, -12.013,   3.142)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-13.401,   8.383,   3.651)  (-13.401,   8.383,   3.651)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 57       ( 26.460,  29.842,  -4.295)  ( 26.464,  29.852,  -4.290)  ( 0.02,  0.03,  0.12)
185:     bond    ( 11.126,  23.554, -14.467)  ( 11.128,  23.563, -14.464)  ( 0.02,  0.04,  0.02)
185:     angle   ( 12.472,  -8.642,  -4.482)  ( 12.474,  -8.641,  -4.480)  ( 0.02,  0.01,  0.04)
185:     torsion ( 11.289,   3.498,  14.382)  ( 11.289,   3.498,  14.382)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.427,  11.433,   0.272)  ( -8.427,  11.433,   0.272)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 58       ( 17.909, -40.158, -26.723)  ( 17.915, -40.148, -26.721)  ( 0.04,  0.02,  0.01)
185:     bond    ( 25.086, -34.130,  -7.983)  ( 25.091, -34.121,  -7.983)  ( 0.02,  0.03,  0.00)
185:     angle   (-20.491, -12.612, -10.496)  (-20.489, -12.611, -10.494)  ( 0.01,  0.01,  0.02)
185:     torsion (  3.136,   4.478,  -9.283)  (  3.136,   4.478,  -9.283)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.178,   2.107,   1.039)  ( 10.178,   2.107,   1.039)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 59       (  7.352,  34.910, -17.396)  (  7.357,  34.920, -17.391)  ( 0.07,  0.03,  0.02)
185:     bond    ( 14.463,  26.266, -13.205)  ( 14.466,  26.275, -13.203)  ( 0.02,  0.03,  0.02)
185:     angle   (-16.868,   2.403, -13.698)  (-16.866,   2.403, -13.696)  ( 0.01,  0.03,  0.01)
185:     torsion ( -3.902,   6.026,   7.716)  ( -3.902,   6.026,   7.716)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 13.658,   0.216,   1.791)  ( 13.659,   0.216,   1.791)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 60       ( -8.554, -15.355,  43.314)  ( -8.551, -15.353,  43.328)  ( 0.03,  0.02,  0.03)
185:     bond    ( -0.868,   5.060,  34.888)  ( -0.869,   5.060,  34.902)  ( 0.01,  0.00,  0.04)
185:     angle   (-22.600,  -6.248,   0.343)  (-22.597,  -6.246,   0.343)  ( 0.01,  0.03,  0.00)
185:     torsion (  0.908, -12.282,   1.803)  (  0.908, -12.281,   1.803)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 14.006,  -1.886,   6.280)  ( 14.007,  -1.886,   6.280)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 61       (-51.991,   5.602,  -4.126)  (-51.979,   5.605,  -4.121)  ( 0.02,  0.06,  0.10)
185:     bond    (-42.778, -10.304, -17.569)  (-42.767, -10.304, -17.567)  ( 0.03,  0.00,  0.01)
185:     angle   ( -4.630, -20.181,  23.103)  ( -4.629, -20.179,  23.105)  ( 0.01,  0.01,  0.01)
185:     torsion ( -7.164,  17.092,   7.415)  ( -7.164,  17.092,   7.415)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.580,  18.995, -17.074)  (  2.580,  18.996, -17.074)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 62       (-21.495,  33.412, -10.092)  (-21.491,  33.426, -10.089)  ( 0.02,  0.04,  0.03)
185:     bond    (  3.985,  46.253,  -1.556)  (  3.985,  46.266,  -1.556)  ( 0.00,  0.03,  0.01)
185:     angle   ( 13.192,  -0.148,  29.385)  ( 13.194,  -0.148,  29.388)  ( 0.01,  0.00,  0.01)
185:     torsion ( 21.003,  -1.921,  -3.329)  ( 21.003,  -1.921,  -3.329)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-59.674, -10.772, -34.592)  (-59.672, -10.772, -34.591)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 63       ( 16.626, -30.317, -28.851)  ( 16.633, -30.313, -28.844)  ( 0.05,  0.01,  0.02)
185:     bond    ( 23.941, -13.747, -21.268)  ( 23.948, -13.745, -21.263)  ( 0.03,  0.01,  0.02)
185:     angle   (  6.188,  -6.431,  11.125)  (  6.189,  -6.429,  11.127)  ( 0.02,  0.03,  0.01)
185:     torsion (-12.366, -15.028,  -4.213)  (-12.366, -15.027,  -4.213)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.138,   4.889, -14.495)  ( -1.138,   4.889, -14.495)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 64       (-22.104, -23.871,  24.818)  (-22.091, -23.868,  24.822)  ( 0.06,  0.01,  0.02)
185:     bond    (-40.965,  -6.579,   9.892)  (-40.953,  -6.579,   9.892)  ( 0.03,  0.00,  0.01)
185:     angle   ( -5.448, -19.724, -35.671)  ( -5.448, -19.722, -35.669)  ( 0.00,  0.01,  0.01)
185:     torsion (  4.240, -15.032,   7.554)  (  4.240, -15.031,   7.554)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 20.069,  17.464,  43.044)  ( 20.070,  17.464,  43.045)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 65       ( 41.479,   2.856,  23.643)  ( 41.485,   2.861,  23.652)  ( 0.01,  0.17,  0.04)
185:     bond    ( 23.063, -17.194,  32.166)  ( 23.067, -17.192,  32.174)  ( 0.02,  0.01,  0.02)
185:     angle   ( 22.666, -18.218, -25.987)  ( 22.668, -18.216, -25.986)  ( 0.01,  0.01,  0.00)
185:     torsion ( 12.123,  12.492,  -2.017)  ( 12.123,  12.492,  -2.017)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-16.374,  25.776,  19.481)  (-16.373,  25.777,  19.481)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 66       (-25.698,  36.326,  -3.779)  (-25.695,  36.340,  -3.776)  ( 0.01,  0.04,  0.08)
179:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
179:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
179:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
185:     bond    (  6.331,  45.473,   1.240)  (  6.331,  45.487,   1.240)  ( 0.00,  0.03,  0.02)
185:     angle   ( 15.181,  -1.371, -27.218)  ( 15.183,  -1.371, -27.215)  ( 0.01,  0.00,  0.01)
185:     torsion (-14.786,   2.193,  -4.961)  (-14.786,   2.193,  -4.961)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-32.424,  -9.969,  27.160)  (-32.423,  -9.968,  27.160)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 67       (  4.802,  42.782, -15.312)  (  4.806,  42.796, -15.309)  ( 0.08,  0.03,  0.02)
185:     bond    ( -3.755,  36.643,  -1.571)  ( -3.755,  36.657,  -1.571)  ( 0.00,  0.04,  0.01)
185:     angle   (  5.815,   1.377,  18.212)  (  5.818,   1.377,  18.214)  ( 0.05,  0.00,  0.01)
185:     torsion (  4.474,  -0.552, -23.574)  (  4.474,  -0.552, -23.573)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.731,   5.314,  -8.379)  ( -1.731,   5.314,  -8.379)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 68       ( 18.600, -41.214, -25.758)  ( 18.605, -41.210, -25.746)  ( 0.03,  0.01,  0.05)
185:     bond    (  9.516,  -9.512, -29.381)  (  9.517,  -9.511, -29.370)  ( 0.01,  0.01,  0.04)
185:     angle   ( 10.913,  -9.288,   6.544)  ( 10.916,  -9.286,   6.544)  ( 0.03,  0.02,  0.01)
185:     torsion (  3.658, -33.517,  12.039)  (  3.658, -33.516,  12.039)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.487,  11.103, -14.960)  ( -5.487,  11.103, -14.960)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 69       ( 24.242,  10.836,  42.437)  ( 24.248,  10.842,  42.448)  ( 0.02,  0.06,  0.02)
185:     bond    (-19.615,  22.847,  35.171)  (-19.613,  22.851,  35.179)  ( 0.01,  0.01,  0.02)
185:     angle   (  7.226, -17.693,  15.520)  (  7.229, -17.691,  15.521)  ( 0.03,  0.01,  0.01)
185:     torsion ( 38.219, -14.554,  30.761)  ( 38.219, -14.554,  30.762)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.588,  20.236, -39.015)  ( -1.586,  20.237, -39.014)  ( 0.07,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 70       (-41.118,  22.843, -11.862)  (-41.111,  22.847, -11.852)  ( 0.02,  0.02,  0.08)
185:     bond    (-18.980,   5.841, -25.923)  (-18.975,   5.841, -25.914)  ( 0.02,  0.01,  0.03)
185:     angle   (  2.186, -11.955,  -4.297)  (  2.188, -11.952,  -4.296)  ( 0.08,  0.02,  0.02)
185:     torsion (-23.335,  16.633,  20.836)  (-23.334,  16.633,  20.836)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.990,  12.324,  -2.478)  ( -0.989,  12.325,  -2.478)  ( 0.05,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 71       (-22.526, -19.580,  14.759)  (-22.514, -19.576,  14.763)  ( 0.05,  0.02,  0.03)
185:     bond    (-32.343, -13.094,  11.917)  (-32.332, -13.092,  11.919)  ( 0.03,  0.01,  0.01)
185:     angle   ( -3.695, -21.026, -33.117)  ( -3.694, -21.024, -33.115)  ( 0.01,  0.01,  0.01)
185:     torsion (  2.069,  -3.141,   2.162)  (  2.069,  -3.141,   2.162)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.442,  17.681,  33.797)  ( 11.443,  17.681,  33.797)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 72       ( 28.513,  -2.885,  23.663)  ( 28.521,  -2.883,  23.672)  ( 0.03,  0.10,  0.04)
185:     bond    ( 26.477,  -7.603,  29.522)  ( 26.483,  -7.603,  29.530)  ( 0.02,  0.00,  0.02)
185:     angle   ( 23.889,  -8.494, -23.613)  ( 23.890,  -8.492, -23.612)  ( 0.01,  0.02,  0.00)
185:     torsion (  3.479,   5.766,  -1.636)  (  3.479,   5.767,  -1.636)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-25.332,   7.445,  19.389)  (-25.331,   7.445,  19.390)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 73       (-17.606,  34.717,  -4.281)  (-17.603,  34.731,  -4.278)  ( 0.02,  0.04,  0.08)
185:     bond    ( -4.935,  45.959,  -3.462)  ( -4.935,  45.973,  -3.463)  ( 0.00,  0.03,  0.00)
185:     angle   ( 15.380,  -0.530, -28.957)  ( 15.382,  -0.530, -28.955)  ( 0.01,  0.00,  0.01)
185:     torsion ( -3.445,  -0.437,  -0.896)  ( -3.445,  -0.437,  -0.896)  ( 0.02,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-24.606, -10.275,  29.035)  (-24.605, -10.275,  29.036)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 74       (-49.166, -29.527, -81.473)  (-49.157, -29.524, -81.458)  ( 0.02,  0.01,  0.02)
185:     bond    (-44.679, -30.815, -66.485)  (-44.673, -30.812, -66.471)  ( 0.01,  0.01,  0.02)
185:     angle   ( 32.405,  13.263, -27.929)  ( 32.406,  13.263, -27.927)  ( 0.01,  0.00,  0.01)
185:     torsion (  0.186,  -0.363,   0.043)  (  0.186,  -0.363,   0.043)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-37.078, -11.611,  12.897)  (-37.076, -11.611,  12.897)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 22 # gradients 
185: ok 23 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (471.070, -527.809, 235.674)  (471.068, -527.650, 235.807)  ( 0.00,  0.03,  0.06)
185:     bond    (282.282, -338.460, 183.324)  (282.308, -338.434, 183.329)  ( 0.01,  0.01,  0.00)
185:     angle   (223.482, -162.837,  60.542)  (223.499, -162.822,  60.544)  ( 0.01,  0.01,  0.00)
185:     torsion (  6.514,  -3.017,  -7.176)  (  6.516,  -3.014,  -7.160)  ( 0.02,  0.07,  0.23)
185:     oop     (  0.299,  -0.686,  -0.777)  (  0.251,  -0.571,  -0.667)  ( 1.43,  7.90,  8.55)
185:     vdw     (-41.507, -22.810,  -0.239)  (-41.506, -22.810,  -0.239)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-37.678, 495.727, -93.390)  (-37.527, 495.643, -93.793)  ( 0.40,  0.02,  0.43)
185:     bond    (181.430, 258.233, -39.725)  (181.458, 258.263, -39.721)  ( 0.02,  0.01,  0.01)
185:     angle   (-176.405, 185.504, -106.176)  (-176.388, 185.515, -106.173)  ( 0.01,  0.01,  0.00)
185:     torsion (-15.467,  17.518,  74.486)  (-15.466,  17.520,  74.506)  ( 0.01,  0.01,  0.03)
185:     oop     ( -0.647,   0.819,   2.707)  ( -0.545,   0.691,   2.277)  ( 6.61, 10.54, 15.86)
185:     vdw     (-26.588,  33.653, -24.682)  (-26.586,  33.653, -24.682)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-70.571, 413.449,  -6.654)  (-70.580, 413.518,  -6.036)  ( 0.01,  0.02,  9.28)
185:     bond    ( 24.585,  49.198,   0.771)  ( 24.613,  49.244,   0.772)  ( 0.12,  0.09,  0.05)
185:     angle   (-71.834, 356.155, -23.113)  (-71.810, 356.171, -23.113)  ( 0.03,  0.00,  0.00)
185:     torsion ( -9.725,  14.444,  21.224)  ( -9.725,  14.444,  21.230)  ( 0.00,  0.00,  0.03)
185:     oop     (  0.353,  -0.045,  -3.367)  (  0.290,  -0.039,  -2.757)  ( 2.19,  0.03, 18.12)
185:     vdw     (-13.950,  -6.302,  -2.168)  (-13.949,  -6.301,  -2.168)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 67.296, 345.733, -116.832)  ( 67.465, 345.534, -117.404)  ( 0.25,  0.06,  0.49)
185:     bond    ( 20.962, 334.056, -140.328)  ( 20.991, 334.095, -140.317)  ( 0.14,  0.01,  0.01)
185:     angle   ( 51.638,  24.695,  -7.235)  ( 51.658,  24.709,  -7.233)  ( 0.04,  0.06,  0.04)
185:     torsion ( -1.442,  10.041,  17.530)  ( -1.441,  10.045,  17.545)  ( 0.04,  0.04,  0.09)
185:     oop     ( -0.714,   1.530,   3.590)  ( -0.594,   1.273,   2.990)  ( 8.56, 16.80, 16.72)
185:     vdw     ( -3.149, -24.589,   9.611)  ( -3.149, -24.588,   9.611)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-63.482,  -7.984, -114.601)  (-63.515,  -7.856, -114.371)  ( 0.05,  1.60,  0.20)
185:     bond    (  1.526,  54.724, -23.955)  (  1.527,  54.752, -23.950)  ( 0.02,  0.05,  0.02)
185:     angle   (-57.069,  -2.678,  -9.760)  (-57.061,  -2.678,  -9.760)  ( 0.02,  0.00,  0.00)
185:     torsion ( 17.384, -39.452, -89.086)  ( 17.384, -39.451, -89.083)  ( 0.00,  0.00,  0.00)
185:     oop     (  0.236,  -0.536,  -1.211)  (  0.194,  -0.438,  -0.990)  ( 1.02,  5.24, 18.26)
185:     vdw     (-25.559, -20.041,   9.411)  (-25.558, -20.041,   9.411)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-324.748, -239.216,  64.079)  (-324.734, -239.089,  64.310)  ( 0.00,  0.05,  0.36)
185:     bond    (-298.909, -143.325,   5.907)  (-298.880, -143.297,   5.912)  ( 0.01,  0.02,  0.09)
185:     angle   (-31.422, -42.662,  11.915)  (-31.404, -42.647,  11.917)  ( 0.06,  0.03,  0.02)
185:     torsion ( -4.860,  10.627,  20.995)  ( -4.860,  10.630,  21.019)  ( 0.01,  0.02,  0.12)
185:     oop     (  0.233,  -0.526,  -1.282)  (  0.197,  -0.445,  -1.083)  ( 0.83,  4.26, 15.52)
185:     vdw     ( 10.211, -63.330,  26.545)  ( 10.214, -63.330,  26.545)  ( 0.03,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-237.204, 105.160,  -7.206)  (-237.068, 105.024,  -7.751)  ( 0.06,  0.13,  7.56)
185:     bond    (-276.789, 151.802, -85.378)  (-276.753, 151.831, -85.372)  ( 0.01,  0.02,  0.01)
185:     angle   ( 62.975, -107.332,  44.691)  ( 62.994, -107.313,  44.693)  ( 0.03,  0.02,  0.00)
185:     torsion ( -8.959,   9.460,  46.715)  ( -8.959,   9.463,  46.741)  ( 0.00,  0.03,  0.06)
185:     oop     ( -0.441,   0.992,   3.150)  ( -0.362,   0.805,   2.572)  ( 3.48, 18.47, 18.37)
185:     vdw     (-13.990,  50.238, -16.384)  (-13.988,  50.238, -16.384)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       ( 12.867,  56.253,  18.035)  ( 12.903,  56.306,  18.097)  ( 0.28,  0.09,  0.34)
185:     bond    (-13.555,  39.305, -14.952)  (-13.526,  39.328, -14.949)  ( 0.21,  0.06,  0.02)
185:     angle   (  3.621,  68.824, -22.507)  (  3.631,  68.838, -22.505)  ( 0.29,  0.02,  0.01)
185:     torsion ( -4.379,  10.462,  32.449)  ( -4.379,  10.465,  32.470)  ( 0.01,  0.02,  0.06)
185:     oop     (  0.027,  -0.075,  -0.222)  (  0.023,  -0.063,  -0.185)  ( 0.01,  0.09,  0.80)
185:     vdw     ( 27.152, -62.265,  23.266)  ( 27.153, -62.263,  23.266)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (193.905, -249.150, 113.403)  (193.722, -248.655, 114.753)  ( 0.09,  0.20,  1.19)
185:     bond    (187.582, -203.883,  60.781)  (187.623, -203.848,  60.788)  ( 0.02,  0.02,  0.01)
185:     angle   (-37.635, -20.082, 257.774)  (-37.622, -20.065, 257.781)  ( 0.04,  0.08,  0.00)
185:     torsion ( 45.057, -48.667, -185.202)  ( 45.058, -48.665, -185.184)  ( 0.00,  0.00,  0.01)
185:     oop     (  1.431,  -2.502,  -7.557)  (  1.193,  -2.061,  -6.238)  (16.62, 17.62, 17.45)
185:     vdw     ( -2.531,  25.983, -12.393)  ( -2.531,  25.984, -12.393)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       ( 13.498,  89.796, -22.035)  ( 13.513,  89.914, -21.812)  ( 0.11,  0.13,  1.01)
185:     bond    ( 14.795, -92.389,  33.934)  ( 14.825, -92.367,  33.938)  ( 0.20,  0.02,  0.01)
185:     angle   ( -4.599, 137.077, -47.403)  ( -4.589, 137.093, -47.401)  ( 0.21,  0.01,  0.00)
185:     torsion ( -2.797,   6.187,  23.576)  ( -2.796,   6.190,  23.595)  ( 0.01,  0.05,  0.08)
185:     oop     (  0.141,  -0.424,  -1.088)  (  0.116,  -0.349,  -0.891)  ( 0.36,  3.18, 18.10)
185:     vdw     (  5.957,  39.344, -31.053)  (  5.958,  39.346, -31.053)  ( 0.02,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (-264.108, -25.417, -102.288)  (-263.234, -26.150, -98.666)  ( 0.33,  2.89,  3.54)
185:     bond    (-109.904, -40.910,  -2.486)  (-109.872, -40.882,  -2.482)  ( 0.03,  0.07,  0.17)
185:     angle   (-195.311,   7.602, -92.894)  (-195.293,   7.618, -92.891)  ( 0.01,  0.22,  0.00)
185:     torsion (  9.228, -10.620,  14.738)  (  9.228, -10.617,  14.754)  ( 0.01,  0.02,  0.11)
185:     oop     ( -2.539,   2.424, -11.214)  ( -1.716,   1.642,  -7.615)  (32.39, 32.27, 32.09)
185:     vdw     ( 34.418,  16.088, -10.432)  ( 34.419,  16.089, -10.432)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-10.655,  -5.268,  33.617)  (-10.638,  -5.289,  33.534)  ( 0.16,  0.39,  0.25)
185:     bond    ( -0.711, -13.338,   5.041)  ( -0.711, -13.325,   5.043)  ( 0.01,  0.10,  0.04)
185:     angle   (-13.750,   0.175,  -1.474)  (-13.746,   0.175,  -1.474)  ( 0.03,  0.00,  0.01)
185:     torsion ( -5.404,  15.649,  40.584)  ( -5.404,  15.650,  40.588)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.079,   0.232,   0.602)  ( -0.067,   0.198,   0.513)  ( 0.09,  0.80,  5.37)
185:     vdw     (  9.289,  -7.986, -11.136)  (  9.290,  -7.986, -11.136)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       ( 66.427, -38.297,  22.022)  ( 66.501, -38.326,  21.831)  ( 0.11,  0.08,  0.86)
185:     bond    (-74.778, 101.329, -42.944)  (-74.750, 101.356, -42.940)  ( 0.04,  0.03,  0.01)
185:     angle   (122.829, -85.985,  43.246)  (122.846, -85.974,  43.248)  ( 0.01,  0.01,  0.00)
185:     torsion ( -0.391,  -1.784,  -5.935)  ( -0.390,  -1.782,  -5.918)  ( 0.01,  0.11,  0.29)
185:     oop     ( -0.156,   0.401,   1.216)  ( -0.129,   0.331,   1.004)  ( 0.42,  2.81, 17.45)
185:     vdw     ( 18.922, -52.258,  26.438)  ( 18.925, -52.258,  26.438)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (  3.198,   9.195,  -4.323)  (  3.204,   9.206,  -4.326)  ( 0.19,  0.12,  0.07)
185:     bond    (  0.210,  14.965,  -4.957)  (  0.211,  14.979,  -4.956)  ( 0.00,  0.09,  0.03)
185:     angle   (-14.465,  -0.365,  -1.719)  (-14.461,  -0.365,  -1.719)  ( 0.03,  0.00,  0.00)
185:     torsion (  0.130,  -0.332,  -1.002)  (  0.130,  -0.332,  -0.997)  ( 0.00,  0.02,  0.45)
185:     oop     ( -0.007,   0.018,   0.053)  ( -0.006,   0.015,   0.044)  ( 0.00,  0.01,  0.05)
185:     vdw     ( 17.329,  -5.091,   3.301)  ( 17.330,  -5.090,   3.301)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( 17.048, -54.468,  19.577)  ( 17.058, -54.447,  19.617)  ( 0.06,  0.04,  0.21)
185:     bond    ( 38.909, -24.186,  13.345)  ( 38.921, -24.181,  13.346)  ( 0.03,  0.02,  0.01)
185:     angle   ( 26.991,  38.282,  -9.354)  ( 26.993,  38.285,  -9.354)  ( 0.01,  0.01,  0.00)
185:     torsion (  1.051,  -2.570,  -7.725)  (  1.051,  -2.570,  -7.722)  ( 0.01,  0.01,  0.04)
185:     oop     (  0.031,  -0.077,  -0.230)  (  0.026,  -0.065,  -0.195)  ( 0.02,  0.09,  0.82)
185:     vdw     (-49.934, -65.917,  23.541)  (-49.933, -65.916,  23.542)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (278.663,   5.967, 262.660)  (278.204,   9.369, 253.668)  ( 0.16, 57.02,  3.42)
185:     bond    (180.951,  70.243, 137.128)  (180.987,  70.270, 137.138)  ( 0.02,  0.04,  0.01)
185:     angle   ( 82.812, -42.011, 198.186)  ( 82.825, -41.995, 198.196)  ( 0.02,  0.04,  0.01)
185:     torsion ( 18.286,  -3.713, -101.874)  ( 18.286,  -3.712, -101.868)  ( 0.00,  0.03,  0.01)
185:     oop     (  1.318, -11.030,  27.670)  (  0.809,  -7.673,  18.651)  (38.58, 30.44, 32.59)
185:     vdw     ( -4.704,  -7.522,   1.551)  ( -4.704,  -7.521,   1.551)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       ( 84.082, -105.411, -282.117)  ( 84.177, -105.539, -282.518)  ( 0.11,  0.12,  0.14)
185:     bond    (-11.281, -124.452,  87.022)  (-11.271, -124.418,  87.044)  ( 0.08,  0.03,  0.02)
185:     angle   (160.110,   8.205, -361.401)  (160.118,   8.215, -361.388)  ( 0.00,  0.11,  0.00)
185:     torsion (-43.213, -25.781,   2.923)  (-43.215, -25.781,   2.925)  ( 0.01,  0.00,  0.06)
185:     oop     ( -0.470,   0.957,   2.442)  ( -0.392,   0.785,   2.004)  ( 3.68, 16.40, 17.91)
185:     vdw     (-21.064,  35.661, -13.103)  (-21.063,  35.661, -13.103)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (-42.175, -64.158,  24.966)  (-42.160, -64.153,  24.962)  ( 0.04,  0.01,  0.02)
185:     bond    ( 13.563,  -8.815,   6.597)  ( 13.572,  -8.811,   6.599)  ( 0.07,  0.04,  0.03)
185:     angle   (-45.163, -62.520,   9.406)  (-45.161, -62.517,   9.406)  ( 0.00,  0.00,  0.00)
185:     torsion ( -4.924,   6.352,  18.603)  ( -4.924,   6.352,  18.606)  ( 0.01,  0.01,  0.02)
185:     oop     ( -0.021,   0.027,   0.078)  ( -0.018,   0.023,   0.068)  ( 0.01,  0.01,  0.08)
185:     vdw     ( -5.630,   0.799,  -9.718)  ( -5.629,   0.800,  -9.718)  ( 0.02,  0.10,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       ( 67.449, -41.898, -169.761)  ( 67.635, -43.654, -167.348)  ( 0.28,  4.19,  1.42)
185:     bond    ( 97.077, -132.695, -184.757)  ( 97.096, -132.670, -184.735)  ( 0.02,  0.02,  0.01)
185:     angle   ( 16.888,  31.742,  -3.539)  ( 16.903,  31.755,  -3.528)  ( 0.09,  0.04,  0.33)
185:     torsion (-24.977,  16.521,  -6.853)  (-24.976,  16.522,  -6.851)  ( 0.01,  0.01,  0.03)
185:     oop     ( -0.353,   5.757,  -7.625)  ( -0.205,   3.961,  -5.249)  ( 5.25, 31.20, 31.17)
185:     vdw     (-21.185,  36.777,  33.015)  (-21.184,  36.777,  33.015)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-42.589, 167.344, -55.096)  (-43.025, 166.640, -51.907)  ( 1.02,  0.42,  5.79)
185:     bond    (-111.773, 201.469, -32.121)  (-111.748, 201.491, -32.102)  ( 0.02,  0.01,  0.06)
185:     angle   (  5.513, -26.008, -36.202)  (  5.527, -25.993, -36.190)  ( 0.24,  0.06,  0.03)
185:     torsion ( -0.714,  -9.763,  60.169)  ( -0.713,  -9.761,  60.171)  ( 0.06,  0.02,  0.00)
185:     oop     (  1.667,   2.637,  -9.518)  (  1.190,   1.892,  -6.363)  (28.60, 28.23, 33.15)
185:     vdw     ( 62.718,  -0.991, -37.423)  ( 62.719,  -0.989, -37.423)  ( 0.00,  0.21,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-33.512,  23.063,  -3.966)  (-33.501,  23.071,  -3.963)  ( 0.03,  0.03,  0.09)
185:     bond    (-31.077,  20.848,  -2.732)  (-31.067,  20.852,  -2.732)  ( 0.03,  0.02,  0.00)
185:     angle   (-15.774, -26.485, -22.772)  (-15.773, -26.483, -22.770)  ( 0.01,  0.01,  0.01)
185:     torsion (  2.488,   4.108,   3.058)  (  2.488,   4.108,   3.058)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.851,  24.593,  18.480)  ( 10.851,  24.594,  18.480)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       ( 10.571, -19.110,  36.550)  ( 10.574, -19.105,  36.563)  ( 0.03,  0.03,  0.04)
185:     bond    (  2.555,  -9.282,  29.641)  (  2.555,  -9.281,  29.653)  ( 0.00,  0.01,  0.04)
185:     angle   (  9.571,  -6.146,  -2.748)  (  9.573,  -6.143,  -2.747)  ( 0.03,  0.06,  0.01)
185:     torsion (  3.442, -10.375,  -3.544)  (  3.442, -10.375,  -3.544)  ( 0.02,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.997,   6.693,  13.201)  ( -4.997,   6.693,  13.201)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( 19.423,   7.923,   3.579)  ( 19.832,   8.669,  -1.831)  ( 2.10,  9.42, 151.16)
185:     bond    ( 17.215, -149.752,  27.789)  ( 17.241, -149.732,  27.807)  ( 0.15,  0.01,  0.07)
185:     angle   (  7.197,  94.829, -53.684)  (  7.210,  94.843, -53.673)  ( 0.18,  0.02,  0.02)
185:     torsion (  1.418,   9.176,   1.378)  (  1.419,   9.178,   1.380)  ( 0.04,  0.01,  0.12)
185:     oop     ( -0.780,  -1.502,  11.549)  ( -0.412,  -0.793,   6.107)  (28.72, 47.20, 47.12)
185:     vdw     ( -5.626,  55.172,  16.547)  ( -5.626,  55.173,  16.548)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (  1.060, -29.258, -33.345)  (  1.064, -29.248, -33.337)  ( 0.43,  0.03,  0.02)
185:     bond    ( -0.887, -26.615, -23.717)  ( -0.888, -26.607, -23.711)  ( 0.01,  0.03,  0.03)
185:     angle   (-18.258,  -0.087,   0.779)  (-18.254,  -0.086,   0.780)  ( 0.02,  0.01,  0.11)
185:     torsion (  5.322,  -1.135,   1.073)  (  5.323,  -1.134,   1.074)  ( 0.01,  0.03,  0.04)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 14.883,  -1.420, -11.480)  ( 14.883,  -1.420, -11.480)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       ( 13.145,  18.444,  16.037)  ( 11.955,  21.723,  11.825)  ( 9.06, 17.78, 26.26)
185:     bond    (-94.231,  40.802, 117.863)  (-94.212,  40.826, 117.885)  ( 0.02,  0.06,  0.02)
185:     angle   ( 50.490,  12.886, -87.023)  ( 50.504,  12.899, -87.011)  ( 0.03,  0.10,  0.01)
185:     torsion (  8.637,  -1.660,  -3.054)  (  8.638,  -1.660,  -3.052)  ( 0.01,  0.05,  0.05)
185:     oop     (  2.615,  -6.878,   9.013)  (  1.389,  -3.638,   4.766)  (46.87, 47.11, 47.12)
185:     vdw     ( 45.634, -26.705, -20.762)  ( 45.635, -26.705, -20.762)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       ( 13.802,   5.192,  43.786)  ( 13.807,   5.198,  43.798)  ( 0.04,  0.10,  0.03)
185:     bond    (  5.791, -12.703,  30.382)  (  5.791, -12.701,  30.394)  ( 0.00,  0.01,  0.04)
185:     angle   (-16.364,   4.009,   4.793)  (-16.360,   4.012,   4.793)  ( 0.02,  0.05,  0.01)
185:     torsion ( -7.294,   3.616,   2.901)  ( -7.294,   3.617,   2.901)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 31.670,  10.269,   5.710)  ( 31.670,  10.270,   5.710)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (-226.813, -179.102,  52.340)  (-221.922, -183.663,  68.873)  ( 2.16,  2.55, 31.59)
185:     bond    (-177.616, -107.417, -25.193)  (-177.588, -107.390, -25.182)  ( 0.02,  0.03,  0.04)
185:     angle   (-45.676, -83.275, 105.305)  (-45.666, -83.266, 105.315)  ( 0.02,  0.01,  0.01)
185:     torsion ( -6.273,  -6.860,   7.241)  ( -6.273,  -6.860,   7.242)  ( 0.01,  0.01,  0.02)
185:     oop     (-10.324,   9.769, -35.043)  ( -5.472,   5.171, -18.531)  (47.00, 47.06, 47.12)
185:     vdw     ( 13.077,   8.681,   0.030)  ( 13.077,   8.682,   0.030)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (-14.391,   7.028, -45.466)  (-14.387,   7.032, -45.454)  ( 0.03,  0.07,  0.03)
185:     bond    ( -5.154,  13.357, -29.996)  ( -5.153,  13.359, -29.984)  ( 0.00,  0.02,  0.04)
185:     angle   ( -2.656,  -8.614,  -3.382)  ( -2.652,  -8.612,  -3.381)  ( 0.15,  0.02,  0.02)
185:     torsion (  3.759, -15.013,  -7.335)  (  3.759, -15.012,  -7.334)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.341,  17.298,  -4.754)  (-10.340,  17.298,  -4.754)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( -5.253,  36.842,  25.540)  ( -5.248,  36.851,  25.547)  ( 0.08,  0.03,  0.03)
185:     bond    (  2.097,  29.406,  25.397)  (  2.096,  29.414,  25.403)  ( 0.01,  0.03,  0.02)
185:     angle   ( -4.491,  -4.048,   5.055)  ( -4.486,  -4.047,   5.056)  ( 0.09,  0.03,  0.03)
185:     torsion ( -3.188,   5.779,  -6.429)  ( -3.188,   5.779,  -6.429)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.330,   5.705,   1.517)  (  0.330,   5.705,   1.517)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
181:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
181:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
181:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
181:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
181:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
181:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
181:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
181:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       ( 35.113, -27.798,  -3.420)  ( 35.124, -27.791,  -3.417)  ( 0.03,  0.02,  0.09)
185:     bond    ( 33.176, -19.737,   2.161)  ( 33.186, -19.733,   2.160)  ( 0.03,  0.02,  0.01)
185:     angle   ( -3.776,  -5.907,   4.053)  ( -3.775,  -5.904,   4.056)  ( 0.02,  0.05,  0.07)
185:     torsion (  0.494,   0.030,  -7.310)  (  0.494,   0.030,  -7.309)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  5.219,  -2.184,  -2.324)  (  5.219,  -2.184,  -2.324)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-17.885,  11.410, -42.928)  (-17.882,  11.416, -42.915)  ( 0.02,  0.05,  0.03)
185:     bond    ( -3.438,   9.943, -31.450)  ( -3.438,   9.945, -31.438)  ( 0.00,  0.01,  0.04)
185:     angle   (-10.542,   1.949,   1.770)  (-10.540,   1.953,   1.770)  ( 0.02,  0.18,  0.02)
185:     torsion (-10.875,   9.024,   4.044)  (-10.875,   9.025,   4.044)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.970,  -9.506, -17.292)  (  6.970,  -9.506, -17.291)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       ( 95.444,  75.761, -29.268)  ( 91.463,  76.420, -36.087)  ( 4.17,  0.87, 23.30)
185:     bond    ( 79.454,  68.430, -40.021)  ( 79.465,  68.438, -40.019)  ( 0.01,  0.01,  0.01)
185:     angle   (-13.089,   3.160, -20.582)  (-13.088,   3.162, -20.580)  ( 0.01,  0.08,  0.01)
185:     torsion (  5.630,  -0.653,  10.064)  (  5.630,  -0.653,  10.064)  ( 0.00,  0.01,  0.00)
185:     oop     (  8.489,  -1.389,  14.481)  (  4.494,  -0.740,   7.658)  (47.06, 46.69, 47.11)
185:     vdw     ( 14.961,   6.212,   6.789)  ( 14.961,   6.213,   6.789)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (189.454, -110.770,  76.092)  (189.503, -110.748,  75.776)  ( 0.03,  0.02,  0.42)
185:     bond    ( -2.952, -17.848,   0.346)  ( -2.951, -17.815,   0.346)  ( 0.03,  0.18,  0.00)
185:     angle   (134.063, -21.890,  16.377)  (134.071, -21.890,  16.377)  ( 0.01,  0.00,  0.00)
185:     torsion ( -5.870,   1.961,  50.922)  ( -5.870,   1.961,  50.924)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.172,   0.057,   1.440)  ( -0.135,   0.044,   1.123)  ( 0.65,  0.07, 21.99)
185:     vdw     ( 64.385, -73.050,   7.007)  ( 64.387, -73.048,   7.006)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       (-114.085, -436.257,  -8.826)  (-114.031, -436.226,  -8.959)  ( 0.05,  0.01,  1.51)
185:     bond    (-43.893, -58.475,  -1.380)  (-43.862, -58.455,  -1.379)  ( 0.07,  0.03,  0.06)
185:     angle   (-17.582, -340.487,  16.912)  (-17.577, -340.471,  16.914)  ( 0.03,  0.00,  0.01)
185:     torsion (  3.958,  -1.494, -32.890)  (  3.958,  -1.494, -32.888)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.137,   0.049,   1.124)  ( -0.120,   0.043,   0.986)  ( 0.23,  0.03, 12.29)
185:     vdw     (-56.431, -35.849,   7.408)  (-56.430, -35.849,   7.408)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       (-145.580, 277.134, -34.469)  (-145.559, 277.149, -34.468)  ( 0.01,  0.01,  0.00)
185:     bond    ( 58.595,  46.521,   3.695)  ( 58.611,  46.531,   3.696)  ( 0.03,  0.02,  0.01)
185:     angle   (-126.434, 161.100, -23.313)  (-126.430, 161.103, -23.313)  ( 0.00,  0.00,  0.00)
185:     torsion (  0.371,  -0.199,  -3.388)  (  0.371,  -0.199,  -3.387)  ( 0.00,  0.00,  0.03)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-78.112,  69.712, -11.463)  (-78.110,  69.713, -11.464)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (-187.163, -27.561,  60.499)  (-187.130, -27.545,  60.523)  ( 0.02,  0.06,  0.04)
185:     bond    ( 15.389, -25.488, -12.365)  ( 15.417, -25.476, -12.350)  ( 0.18,  0.05,  0.12)
185:     angle   (-175.348, -38.674,  66.261)  (-175.342, -38.668,  66.270)  ( 0.00,  0.01,  0.01)
185:     torsion (-31.171,  14.161,   5.951)  (-31.172,  14.159,   5.949)  ( 0.00,  0.02,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.967,  22.439,   0.652)  (  3.967,  22.440,   0.652)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (133.139,  15.824, 156.200)  (133.159,  15.846, 156.232)  ( 0.02,  0.13,  0.02)
185:     bond    (  1.917, -24.367, -14.029)  (  1.935, -24.350, -14.008)  ( 0.91,  0.07,  0.15)
185:     angle   (106.617,   4.098, 150.618)  (106.621,   4.105, 150.629)  ( 0.00,  0.15,  0.01)
185:     torsion ( 35.985,  22.581,  18.000)  ( 35.983,  22.579,  17.999)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-11.380,  13.512,   1.610)  (-11.380,  13.513,   1.610)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       ( 62.861,  47.608, -92.087)  ( 62.865,  47.613, -92.079)  ( 0.01,  0.01,  0.01)
185:     bond    (-24.635,  43.305, -50.958)  (-24.634,  43.309, -50.951)  ( 0.01,  0.01,  0.01)
185:     angle   ( 70.576,   3.937, -30.777)  ( 70.578,   3.938, -30.776)  ( 0.00,  0.01,  0.00)
185:     torsion ( 21.159,  -0.459, -10.620)  ( 21.158,  -0.459, -10.620)  ( 0.00,  0.02,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.238,   0.825,   0.267)  ( -4.238,   0.825,   0.267)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       ( 19.472, -70.371, 100.393)  ( 19.480, -70.369, 100.400)  ( 0.04,  0.00,  0.01)
185:     bond    (-48.674, -18.329,  48.688)  (-48.668, -18.329,  48.694)  ( 0.01,  0.00,  0.01)
185:     angle   ( 53.644, -47.965,  35.561)  ( 53.645, -47.964,  35.563)  ( 0.00,  0.00,  0.00)
185:     torsion ( 18.791,  -9.332,  15.268)  ( 18.791,  -9.332,  15.268)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.289,   5.255,   0.875)  ( -4.289,   5.255,   0.875)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 40       ( -2.451,  37.590, -114.230)  ( -2.447,  37.597, -114.225)  ( 0.18,  0.02,  0.00)
185:     bond    ( 38.547,  52.842, -29.733)  ( 38.551,  52.849, -29.730)  ( 0.01,  0.01,  0.01)
185:     angle   (-35.447, -11.705, -66.772)  (-35.446, -11.705, -66.769)  ( 0.00,  0.00,  0.00)
185:     torsion ( -8.694,  -5.083, -20.310)  ( -8.695,  -5.083, -20.310)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.143,   1.536,   2.584)  (  3.143,   1.537,   2.584)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 41       (-53.959, -84.045,  72.544)  (-53.957, -84.043,  72.557)  ( 0.00,  0.00,  0.02)
185:     bond    ( 13.120, -10.545,  68.597)  ( 13.120, -10.545,  68.610)  ( 0.00,  0.00,  0.02)
185:     angle   (-50.377, -58.390,   0.659)  (-50.376, -58.387,   0.659)  ( 0.00,  0.00,  0.00)
185:     torsion (-20.091, -17.796,   1.107)  (-20.091, -17.796,   1.107)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.390,   2.685,   2.181)  (  3.390,   2.685,   2.181)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 42       ( 24.269,  89.804, -56.022)  ( 24.271,  89.808, -56.009)  ( 0.00,  0.01,  0.02)
185:     bond    ( 17.871,   1.513, -55.564)  ( 17.872,   1.513, -55.552)  ( 0.01,  0.02,  0.02)
185:     angle   ( -5.898,  61.600,  -0.220)  ( -5.897,  61.605,  -0.220)  ( 0.01,  0.01,  0.00)
185:     torsion ( 11.599,  28.029,   4.495)  ( 11.598,  28.029,   4.494)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.697,  -1.338,  -4.732)  (  0.697,  -1.338,  -4.732)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 24 # gradients 
185: ok 25 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-105.174, -144.268, -14.253)  (-105.139, -144.236, -14.237)  ( 0.03,  0.02,  0.11)
185:     bond    ( 10.278, -33.838,  -0.603)  ( 10.305, -33.816,  -0.603)  ( 0.26,  0.06,  0.04)
185:     angle   (-116.113, -109.997, -17.391)  (-116.106, -109.987, -17.391)  ( 0.01,  0.01,  0.00)
185:     torsion ( -0.359,  -0.205,   3.663)  ( -0.358,  -0.205,   3.677)  ( 0.01,  0.00,  0.39)
185:     oop     ( -0.004,  -0.003,   0.036)  ( -0.004,  -0.003,   0.037)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.024,  -0.225,   0.043)  (  1.024,  -0.225,   0.043)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (153.731, -28.974,  22.362)  (153.756, -28.939,  22.490)  ( 0.02,  0.12,  0.57)
185:     bond    (164.318, -90.976,  13.729)  (164.344, -90.949,  13.730)  ( 0.02,  0.03,  0.01)
185:     angle   ( -2.354,  65.055,   3.163)  ( -2.344,  65.069,   3.163)  ( 0.43,  0.02,  0.01)
185:     torsion ( -0.759,  -0.446,   6.049)  ( -0.759,  -0.446,   6.069)  ( 0.02,  0.00,  0.32)
185:     oop     (  0.070,   0.034,  -0.590)  (  0.057,   0.028,  -0.483)  ( 0.09,  0.02,  6.34)
185:     vdw     ( -7.543,  -2.641,   0.012)  ( -7.543,  -2.641,   0.012)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-196.107,  57.985,  24.397)  (-196.048,  58.038,  24.240)  ( 0.03,  0.09,  0.64)
185:     bond    (-125.927, 114.595,  -7.662)  (-125.899, 114.622,  -7.661)  ( 0.02,  0.02,  0.02)
185:     angle   (-10.976, -97.837,  -9.535)  (-10.962, -97.823,  -9.532)  ( 0.13,  0.01,  0.02)
185:     torsion ( -4.310,  -1.339,  47.040)  ( -4.310,  -1.339,  47.053)  ( 0.00,  0.00,  0.03)
185:     oop     ( -0.106,  -0.070,   1.089)  ( -0.090,  -0.059,   0.916)  ( 0.17,  0.08, 15.84)
185:     vdw     (-54.788,  42.635,  -6.536)  (-54.787,  42.636,  -6.536)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( 21.003, -132.495, -21.471)  ( 21.009, -132.491, -21.075)  ( 0.03,  0.00,  1.85)
185:     bond    ( 25.927, -12.270,   1.359)  ( 25.949, -12.244,   1.360)  ( 0.09,  0.22,  0.03)
185:     angle   ( 35.206, -105.041,  15.337)  ( 35.221, -105.032,  15.339)  ( 0.04,  0.01,  0.01)
185:     torsion (  0.139,  -0.196, -37.773)  (  0.139,  -0.196, -37.760)  ( 0.00,  0.00,  0.03)
185:     oop     (  0.200,   0.174,  -2.187)  (  0.167,   0.142,  -1.805)  ( 0.66,  0.55, 17.44)
185:     vdw     (-40.469, -15.160,   1.792)  (-40.468, -15.160,   1.792)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-36.779, -70.807, -60.582)  (-34.794, -71.395, -56.096)  ( 5.40,  0.83,  7.41)
185:     bond    ( 74.777, -164.063, -84.429)  ( 74.801, -164.041, -84.409)  ( 0.03,  0.01,  0.02)
185:     angle   (-56.723,  75.522,  43.546)  (-56.709,  75.538,  43.556)  ( 0.02,  0.02,  0.02)
185:     torsion (  3.568,  -6.797, -17.456)  (  3.568,  -6.798, -17.454)  ( 0.00,  0.01,  0.01)
185:     oop     ( -4.447,   1.389, -10.142)  ( -2.501,   0.762,  -5.688)  (43.75, 45.13, 43.92)
185:     vdw     (-53.954,  23.142,   7.899)  (-53.953,  23.143,   7.899)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 69.444, 172.988, -10.700)  ( 69.471, 173.014, -10.791)  ( 0.04,  0.02,  0.85)
185:     bond    (-21.543,  30.190,  -0.859)  (-21.529,  30.205,  -0.859)  ( 0.07,  0.05,  0.02)
185:     angle   ( 91.827, 137.422,  14.678)  ( 91.830, 137.425,  14.679)  ( 0.00,  0.00,  0.01)
185:     torsion (  2.672,   2.007, -24.878)  (  2.672,   2.007, -24.874)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.069,  -0.054,   0.642)  ( -0.058,  -0.045,   0.545)  ( 0.07,  0.05,  6.20)
185:     vdw     ( -3.444,   3.422,  -0.282)  ( -3.444,   3.422,  -0.282)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 54.309,  31.278,  -7.125)  ( 52.239,  30.102, -21.105)  ( 3.81,  3.76, 196.20)
185:     bond    ( 77.926,  42.082, 172.758)  ( 77.956,  42.113, 172.767)  ( 0.04,  0.07,  0.01)
185:     angle   (-64.578, -12.164, -200.161)  (-64.567, -12.152, -200.149)  ( 0.02,  0.10,  0.01)
185:     torsion (  8.066,  -4.164, -21.071)  (  8.067,  -4.164, -21.071)  ( 0.00,  0.00,  0.00)
185:     oop     (  5.072,   2.613,  31.589)  (  2.959,   1.395,  17.586)  (41.66, 46.64, 44.33)
185:     vdw     ( 27.823,   2.910,   9.761)  ( 27.824,   2.911,   9.761)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       ( -2.798,  31.950, -24.954)  ( -2.794,  31.961, -24.949)  ( 0.17,  0.04,  0.02)
185:     bond    (  0.865,  37.377, -18.440)  (  0.865,  37.389, -18.437)  ( 0.02,  0.03,  0.01)
185:     angle   ( 28.069,  -8.888, -16.708)  ( 28.073,  -8.888, -16.706)  ( 0.01,  0.01,  0.01)
185:     torsion (  2.389,  -0.908,  -1.729)  (  2.389,  -0.908,  -1.730)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-34.121,   4.368,  11.923)  (-34.120,   4.368,  11.924)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       ( -2.250,  12.393,  41.148)  ( -2.246,  12.396,  41.161)  ( 0.19,  0.02,  0.03)
185:     bond    (  4.780,   4.268,  30.232)  (  4.780,   4.268,  30.245)  ( 0.00,  0.00,  0.04)
185:     angle   ( 16.232, -17.244,  -0.133)  ( 16.236, -17.241,  -0.133)  ( 0.02,  0.02,  0.00)
185:     torsion ( -5.400,   9.053,  -0.424)  ( -5.400,   9.053,  -0.424)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.862,  16.316,  11.473)  (-17.862,  16.317,  11.473)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (  4.355, -18.419, -24.741)  (  5.319, -16.378, -20.159)  (22.12, 11.08, 18.52)
185:     bond    (-102.642, 129.702, -111.077)  (-102.623, 129.728, -111.057)  ( 0.02,  0.02,  0.02)
185:     angle   ( 75.638, -71.325,  99.210)  ( 75.652, -71.312,  99.221)  ( 0.02,  0.02,  0.01)
185:     torsion (  8.695,  -4.828, -10.298)  (  8.695,  -4.827, -10.297)  ( 0.01,  0.01,  0.01)
185:     oop     ( -2.278,  -4.478, -10.233)  ( -1.350,  -2.478,  -5.685)  (40.72, 44.66, 44.45)
185:     vdw     ( 24.943, -67.490,   7.658)  ( 24.944, -67.489,   7.658)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       ( 63.010,  99.225,  20.093)  ( 63.056,  99.274,  19.959)  ( 0.07,  0.05,  0.66)
185:     bond    ( 79.413,  99.565,  30.684)  ( 79.432,  99.585,  30.703)  ( 0.02,  0.02,  0.06)
185:     angle   ( -9.952,  30.935, -40.453)  ( -9.940,  30.948, -40.444)  ( 0.12,  0.04,  0.02)
185:     torsion ( -3.372,  -4.783,  32.081)  ( -3.372,  -4.782,  32.085)  ( 0.02,  0.02,  0.01)
185:     oop     ( -0.063,  -0.069,   0.766)  ( -0.049,  -0.054,   0.602)  ( 0.08,  0.10, 12.59)
185:     vdw     ( -3.016, -26.423,  -2.986)  ( -3.016, -26.422,  -2.986)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       ( 37.547, -27.696,   4.109)  ( 37.556, -27.688,   4.113)  ( 0.03,  0.03,  0.09)
185:     bond    ( 28.298, -24.654, -12.032)  ( 28.305, -24.649, -12.031)  ( 0.02,  0.02,  0.01)
185:     angle   ( 22.190,  33.253, -15.922)  ( 22.192,  33.255, -15.920)  ( 0.01,  0.01,  0.02)
185:     torsion ( -2.195, -14.384,  24.305)  ( -2.195, -14.384,  24.306)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.747, -21.911,   7.758)  (-10.746, -21.910,   7.758)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-11.344,  26.770,  42.444)  (-11.341,  26.774,  42.458)  ( 0.03,  0.02,  0.03)
185:     bond    (  2.456,   2.184,  29.140)  (  2.456,   2.184,  29.154)  ( 0.00,  0.00,  0.05)
185:     angle   ( -9.382,  12.875,  -0.175)  ( -9.380,  12.879,  -0.175)  ( 0.03,  0.03,  0.00)
185:     torsion (-13.673,  31.478,  -1.206)  (-13.673,  31.478,  -1.206)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.254, -19.767,  14.685)  (  9.255, -19.767,  14.685)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (-22.304,   3.401, -47.032)  (-22.301,   3.406, -47.020)  ( 0.02,  0.14,  0.03)
185:     bond    (  2.349, -14.286, -31.725)  (  2.349, -14.284, -31.714)  ( 0.00,  0.02,  0.04)
185:     angle   (  2.309,   3.874,  -1.575)  (  2.312,   3.876,  -1.575)  ( 0.13,  0.05,  0.03)
185:     torsion (-21.642,  16.962,  -9.243)  (-21.642,  16.962,  -9.243)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.320,  -3.149,  -4.488)  ( -5.320,  -3.149,  -4.488)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (  4.077, -33.813,  26.813)  (  4.081, -33.804,  26.821)  ( 0.09,  0.03,  0.03)
185:     bond    ( -6.848, -27.243,  24.405)  ( -6.848, -27.236,  24.411)  ( 0.00,  0.03,  0.02)
185:     angle   (-10.498,   9.945,   8.151)  (-10.495,   9.946,   8.153)  ( 0.03,  0.01,  0.02)
185:     torsion ( 24.181, -10.781,  -5.244)  ( 24.181, -10.780,  -5.244)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -2.757,  -5.734,  -0.499)  ( -2.757,  -5.734,  -0.499)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       ( 11.733,  55.009,  10.634)  ( 11.749,  55.015,  10.625)  ( 0.13,  0.01,  0.09)
185:     bond    ( -1.222,   0.315,  -0.136)  ( -1.208,   0.316,  -0.136)  ( 1.13,  0.03,  0.00)
185:     angle   ( 14.081,  55.806,   4.778)  ( 14.081,  55.810,   4.778)  ( 0.00,  0.01,  0.00)
185:     torsion ( -0.765,  -0.332,   6.032)  ( -0.765,  -0.332,   6.036)  ( 0.01,  0.00,  0.07)
185:     oop     ( -0.007,  -0.003,   0.058)  ( -0.006,  -0.002,   0.045)  ( 0.00,  0.00,  0.08)
185:     vdw     ( -0.355,  -0.778,  -0.098)  ( -0.354,  -0.778,  -0.098)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       ( 10.482,  -3.158,   6.402)  ( 10.492,  -3.140,   6.353)  ( 0.10,  0.57,  0.76)
185:     bond    (  0.414,  -4.930,  -0.217)  (  0.414,  -4.915,  -0.217)  ( 0.01,  0.30,  0.00)
185:     angle   ( 12.011,   0.962,   1.115)  ( 12.015,   0.962,   1.115)  ( 0.03,  0.00,  0.01)
185:     torsion ( -0.601,  -0.285,   5.301)  ( -0.601,  -0.285,   5.307)  ( 0.00,  0.00,  0.10)
185:     oop     ( -0.029,  -0.013,   0.242)  ( -0.022,  -0.010,   0.188)  ( 0.02,  0.00,  1.30)
185:     vdw     ( -1.313,   1.108,  -0.039)  ( -1.312,   1.108,  -0.039)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       ( 30.780, 158.107,  64.874)  ( 30.139, 157.939,  69.869)  ( 2.08,  0.11,  7.70)
185:     bond    (-95.903,  15.782, -199.133)  (-95.875,  15.805, -199.113)  ( 0.03,  0.14,  0.01)
185:     angle   (118.197, 123.500, 291.853)  (118.211, 123.516, 291.869)  ( 0.01,  0.01,  0.01)
185:     torsion ( -3.589,  -2.850,  -0.620)  ( -3.588,  -2.848,  -0.620)  ( 0.01,  0.08,  0.03)
185:     oop     (  1.121,   0.814, -10.905)  (  0.437,   0.604,  -5.947)  (61.03, 17.03, 45.47)
185:     vdw     ( 10.954,  20.861, -16.321)  ( 10.955,  20.862, -16.320)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (-37.631, -20.339, -59.768)  (-37.591, -20.305, -59.727)  ( 0.11,  0.17,  0.07)
185:     bond    (-19.638,  14.035,  -5.470)  (-19.621,  14.046,  -5.441)  ( 0.09,  0.08,  0.52)
185:     angle   (  2.156, -75.195, -60.635)  (  2.166, -75.187, -60.622)  ( 0.48,  0.01,  0.02)
185:     torsion (-13.317, -12.946,  -5.513)  (-13.310, -12.934,  -5.513)  ( 0.06,  0.09,  0.00)
185:     oop     ( -0.048,  -0.052,   0.010)  ( -0.045,  -0.050,   0.008)  ( 0.02,  0.01,  0.00)
185:     vdw     ( -6.784,  53.819,  11.841)  ( -6.782,  53.820,  11.841)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-154.713, -430.872, -83.506)  (-155.090, -430.681, -83.227)  ( 0.24,  0.04,  0.33)
185:     bond    (-41.612, -139.052,   9.393)  (-41.596, -139.020,   9.422)  ( 0.04,  0.02,  0.31)
185:     angle   (-177.794, -307.617, -108.703)  (-177.788, -307.598, -108.689)  ( 0.00,  0.01,  0.01)
185:     torsion (  9.314,   0.875,   4.567)  (  9.313,   0.875,   4.567)  ( 0.01,  0.00,  0.00)
185:     oop     (  2.243,  -0.776,  -1.306)  (  1.843,  -0.636,  -1.070)  (17.81, 10.85, 18.03)
185:     vdw     ( 53.137,  15.698,  12.543)  ( 53.138,  15.699,  12.543)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       ( 23.892, -31.275,  44.425)  ( 23.897, -31.271,  44.438)  ( 0.02,  0.01,  0.03)
185:     bond    (  3.796,   4.971,  35.728)  (  3.796,   4.971,  35.742)  ( 0.00,  0.00,  0.04)
185:     angle   ( 25.011, -40.894,   3.030)  ( 25.015, -40.891,   3.030)  ( 0.02,  0.01,  0.00)
185:     torsion ( -1.992, -20.942,   3.124)  ( -1.993, -20.942,   3.124)  ( 0.03,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -2.923,  25.590,   2.541)  ( -2.922,  25.591,   2.542)  ( 0.04,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-51.578,  14.808, -28.254)  (-51.561,  14.816, -28.214)  ( 0.03,  0.05,  0.14)
185:     bond    ( 21.566, -14.742,  79.018)  ( 21.583, -14.732,  79.046)  ( 0.08,  0.07,  0.04)
185:     angle   (-29.990,  22.642, -44.609)  (-29.981,  22.647, -44.598)  ( 0.03,  0.02,  0.03)
185:     torsion ( -7.402,  -9.999,   0.215)  ( -7.394,  -9.985,   0.215)  ( 0.10,  0.14,  0.00)
185:     oop     (  0.114,   0.145,  -0.000)  (  0.097,   0.123,  -0.000)  ( 0.20,  0.31,  0.00)
185:     vdw     (-35.866,  16.762, -62.877)  (-35.865,  16.763, -62.877)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( -9.338,  -0.423, -19.364)  ( -9.298,  -0.387, -19.323)  ( 0.42,  1.55,  0.21)
185:     bond    (-22.601,  16.510,  33.915)  (-22.583,  16.521,  33.940)  ( 0.08,  0.07,  0.07)
185:     angle   (  9.256,  -6.399,  21.189)  (  9.262,  -6.395,  21.204)  ( 0.07,  0.06,  0.07)
185:     torsion ( -3.635,  -4.954,   0.185)  ( -3.627,  -4.941,   0.185)  ( 0.21,  0.28,  0.00)
185:     oop     ( -0.037,  -0.049,  -0.001)  ( -0.030,  -0.040,  -0.000)  ( 0.02,  0.04,  0.00)
185:     vdw     (  7.680,  -5.532, -74.653)  (  7.679,  -5.532, -74.651)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( 14.625,  -7.992,  -3.371)  ( 14.695,  -7.915,  -3.331)  ( 0.48,  0.96,  1.18)
185:     bond    (-19.694,  14.338,  19.140)  (-19.678,  14.348,  19.169)  ( 0.08,  0.07,  0.15)
185:     angle   (-13.808,  10.641,   1.140)  (-13.800,  10.646,   1.151)  ( 0.06,  0.05,  0.92)
185:     torsion (  2.277,   2.841,   0.060)  (  2.285,   2.855,   0.060)  ( 0.34,  0.48,  0.00)
185:     oop     ( -0.215,  -0.283,  -0.004)  ( -0.179,  -0.235,  -0.003)  ( 0.77,  1.35,  0.00)
185:     vdw     ( 46.065, -35.530, -23.708)  ( 46.065, -35.529, -23.707)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       ( 11.032,  -8.892,   3.661)  ( 11.029,  -8.910,   3.700)  ( 0.03,  0.21,  1.08)
185:     bond    (-43.220,  33.860,  -7.922)  (-43.203,  33.871,  -7.894)  ( 0.04,  0.03,  0.35)
185:     angle   (  5.370,  -2.751, -38.560)  (  5.378,  -2.746, -38.548)  ( 0.15,  0.17,  0.03)
185:     torsion ( -1.231,  -1.470,   0.029)  ( -1.223,  -1.457,   0.029)  ( 0.66,  0.90,  0.00)
185:     oop     (  0.244,   0.314,   0.008)  (  0.207,   0.266,   0.007)  ( 0.90,  1.49,  0.00)
185:     vdw     ( 49.870, -38.844,  50.106)  ( 49.870, -38.843,  50.106)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       ( 35.040, -11.112,  -7.538)  ( 35.159, -10.971,  -7.494)  ( 0.34,  1.27,  0.58)
185:     bond    ( -3.115,   5.491, -146.885)  ( -3.097,   5.502, -146.863)  ( 0.59,  0.21,  0.01)
185:     angle   ( 28.451, -22.074,  68.116)  ( 28.456, -22.071,  68.132)  ( 0.02,  0.01,  0.02)
185:     torsion (  6.340,   7.205,  -0.976)  (  6.347,   7.216,  -0.976)  ( 0.10,  0.15,  0.00)
185:     oop     ( -0.524,  -0.680,  -0.024)  ( -0.436,  -0.565,  -0.020)  ( 4.64,  7.85,  0.01)
185:     vdw     (  3.888,  -1.054,  72.231)  (  3.888,  -1.054,  72.233)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       ( 26.429,   5.628,  15.362)  ( 26.436,   5.634,  15.371)  ( 0.03,  0.10,  0.06)
185:     bond    ( 14.560, -10.532,  14.887)  ( 14.566, -10.528,  14.894)  ( 0.04,  0.03,  0.04)
185:     angle   ( -8.953,   6.848,  13.594)  ( -8.952,   6.849,  13.596)  ( 0.01,  0.01,  0.02)
185:     torsion ( 15.921,  21.527,  -0.353)  ( 15.923,  21.530,  -0.353)  ( 0.01,  0.02,  0.00)
185:     oop     (  0.008,   0.010,  -0.000)  (  0.006,   0.009,  -0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  4.893, -12.226, -12.766)  (  4.893, -12.226, -12.766)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       ( -5.528,  11.974,  -8.448)  ( -5.523,  11.977,  -8.440)  ( 0.09,  0.02,  0.10)
185:     bond    (-11.891,   9.551, -11.628)  (-11.885,   9.555, -11.622)  ( 0.05,  0.04,  0.05)
185:     angle   ( -4.069,   3.054,   6.669)  ( -4.068,   3.055,   6.672)  ( 0.02,  0.02,  0.04)
185:     torsion (  3.575,   4.553,   0.087)  (  3.577,   4.556,   0.087)  ( 0.05,  0.07,  0.00)
185:     oop     (  0.025,   0.032,   0.001)  (  0.021,   0.026,   0.001)  ( 0.01,  0.02,  0.00)
185:     vdw     (  6.832,  -5.216,  -3.577)  (  6.832,  -5.216,  -3.577)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( -4.119,  18.843,  76.496)  ( -4.146,  18.806,  76.506)  ( 0.66,  0.19,  0.01)
185:     bond    ( -3.906,   1.114,  49.703)  ( -3.906,   1.113,  49.715)  ( 0.00,  0.01,  0.02)
185:     angle   (-35.531,  27.684,  -3.411)  (-35.530,  27.685,  -3.411)  ( 0.00,  0.00,  0.00)
185:     torsion ( 10.449,  13.670,   0.515)  ( 10.449,  13.671,   0.515)  ( 0.01,  0.01,  0.00)
185:     oop     (  0.184,   0.238,   0.009)  (  0.154,   0.199,   0.008)  ( 0.55,  0.93,  0.00)
185:     vdw     ( 24.685, -23.863,  29.680)  ( 24.686, -23.862,  29.681)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       ( -5.820,  -7.368,  15.017)  ( -5.823,  -7.374,  15.032)  ( 0.06,  0.08,  0.10)
185:     bond    ( -1.988,   1.341,  17.656)  ( -1.988,   1.342,  17.671)  ( 0.01,  0.01,  0.08)
185:     angle   (  1.111,  -0.844,   0.189)  (  1.113,  -0.843,   0.189)  ( 0.23,  0.12,  0.00)
185:     torsion ( -5.653,  -7.515,  -0.065)  ( -5.651,  -7.512,  -0.065)  ( 0.03,  0.04,  0.00)
185:     oop     (  0.049,   0.065,   0.001)  (  0.041,   0.054,   0.000)  ( 0.04,  0.07,  0.00)
185:     vdw     (  0.661,  -0.415,  -2.763)  (  0.661,  -0.415,  -2.763)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-12.539,   6.067,   5.303)  (-12.546,   6.052,   5.309)  ( 0.06,  0.25,  0.10)
185:     bond    (-12.860,   9.733,   6.528)  (-12.852,   9.738,   6.530)  ( 0.06,  0.05,  0.03)
185:     angle   (  0.009,  -0.020,   0.044)  (  0.009,  -0.020,   0.047)  ( 0.00,  0.00,  0.02)
185:     torsion ( -1.782,  -2.314,  -0.057)  ( -1.780,  -2.311,  -0.057)  ( 0.10,  0.14,  0.00)
185:     oop     (  0.107,   0.140,   0.002)  (  0.089,   0.116,   0.001)  ( 0.19,  0.33,  0.00)
185:     vdw     (  1.988,  -1.472,  -1.213)  (  1.988,  -1.472,  -1.212)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (-21.475, -19.086,  14.442)  (-21.268, -19.132,  14.340)  ( 0.96,  0.24,  0.70)
185:     bond    (-28.227, -40.479, -24.358)  (-28.218, -40.461, -24.351)  ( 0.03,  0.05,  0.03)
185:     angle   ( -7.269,  20.713, -26.004)  ( -7.269,  20.716, -25.999)  ( 0.00,  0.02,  0.02)
185:     torsion (-17.297,   5.979,  10.109)  (-17.297,   5.979,  10.109)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.893,   0.309,   0.519)  ( -0.695,   0.241,   0.405)  (17.64,  2.11,  5.95)
185:     vdw     ( 32.211,  -5.608,  54.175)  ( 32.211,  -5.608,  54.176)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (191.674, 529.624,  17.656)  (191.798, 529.618,  17.621)  ( 0.07,  0.00,  0.20)
185:     bond    ( 58.236, 235.285, -11.641)  ( 58.243, 235.306, -11.617)  ( 0.01,  0.01,  0.20)
185:     angle   (117.848, 263.254,  51.661)  (117.853, 263.265,  51.664)  ( 0.00,  0.00,  0.01)
185:     torsion (  7.170,  -2.214,  -3.132)  (  7.171,  -2.214,  -3.132)  ( 0.02,  0.01,  0.02)
185:     oop     ( -0.723,   0.249,   0.417)  ( -0.612,   0.211,   0.354)  ( 8.03,  0.96,  2.67)
185:     vdw     (  9.142,  33.049, -19.649)  (  9.142,  33.050, -19.648)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       (-95.864, -304.195, -16.249)  (-95.834, -304.157, -16.216)  ( 0.03,  0.01,  0.20)
185:     bond    ( -7.830, -283.974, 125.651)  ( -7.811, -283.947, 125.671)  ( 0.25,  0.01,  0.02)
185:     angle   (-63.048, -27.767, -86.024)  (-63.038, -27.756, -86.013)  ( 0.02,  0.04,  0.01)
185:     torsion (  2.136,  -2.699,  -6.132)  (  2.137,  -2.699,  -6.131)  ( 0.06,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-27.123,  10.246, -49.744)  (-27.122,  10.246, -49.743)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       (-19.068,  11.021, -38.923)  (-19.063,  11.024, -38.912)  ( 0.03,  0.03,  0.03)
185:     bond    (-21.019,  -1.122, -37.942)  (-21.016,  -1.122, -37.932)  ( 0.01,  0.02,  0.03)
185:     angle   (  3.075,  12.287,  -2.069)  (  3.076,  12.290,  -2.068)  ( 0.05,  0.03,  0.03)
185:     torsion ( -1.170,   0.310,   0.639)  ( -1.170,   0.310,   0.639)  ( 0.02,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.047,  -0.454,   0.449)  (  0.047,  -0.454,   0.449)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (-16.760,  36.523,  29.211)  (-16.755,  36.531,  29.218)  ( 0.03,  0.02,  0.02)
185:     bond    (-19.545,  27.111,  25.058)  (-19.543,  27.117,  25.063)  ( 0.01,  0.02,  0.02)
185:     angle   (  8.183,  -3.579,  10.250)  (  8.185,  -3.577,  10.252)  ( 0.02,  0.06,  0.02)
185:     torsion (  3.176,   0.660,   1.763)  (  3.177,   0.660,   1.763)  ( 0.01,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.575,  12.331,  -7.860)  ( -8.574,  12.332,  -7.860)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       ( 47.268,  16.793,  -9.312)  ( 47.281,  16.797,  -9.309)  ( 0.03,  0.03,  0.03)
185:     bond    ( 40.819,  12.299,  -7.273)  ( 40.832,  12.300,  -7.273)  ( 0.03,  0.01,  0.00)
185:     angle   (  4.589,  -6.863,  14.160)  (  4.589,  -6.860,  14.162)  ( 0.01,  0.04,  0.01)
185:     torsion (  0.016,   0.138,   0.323)  (  0.016,   0.138,   0.323)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.844,  11.218, -16.522)  (  1.844,  11.218, -16.521)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 26 # gradients 
185: ok 27 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (116.287,  -8.442, -22.838)  (115.961,  -8.715, -21.215)  ( 0.28,  3.23,  7.11)
185:     bond    ( 22.087,  34.962,  11.952)  ( 22.113,  34.988,  11.955)  ( 0.12,  0.08,  0.02)
185:     angle   (165.435, -77.004,  22.812)  (165.451, -76.990,  22.815)  ( 0.01,  0.02,  0.01)
185:     torsion (  9.259,   8.251, -38.340)  (  9.260,   8.252, -38.324)  ( 0.01,  0.01,  0.04)
185:     oop     (  2.175,   1.906,  -9.509)  (  1.805,   1.591,  -7.909)  (17.02, 16.54, 16.83)
185:     vdw     (-82.669,  23.444,  -9.752)  (-82.667,  23.444,  -9.753)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-155.800, 150.666, 267.741)  (-154.650, 151.649, 263.333)  ( 0.74,  0.65,  1.65)
185:     bond    (  9.289,  69.441,  23.457)  (  9.318,  69.474,  23.461)  ( 0.31,  0.05,  0.02)
185:     angle   (-107.245, 105.199, 110.114)  (-107.231, 105.217, 110.118)  ( 0.01,  0.02,  0.00)
185:     torsion (-32.308, -13.312,  54.815)  (-32.307, -13.311,  54.830)  ( 0.00,  0.00,  0.03)
185:     oop     ( -6.535,  -5.596,  26.451)  ( -5.431,  -4.669,  22.019)  (16.90, 16.58, 16.75)
185:     vdw     (-19.000,  -5.065,  52.904)  (-19.000,  -5.063,  52.905)  ( 0.00,  0.04,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-57.832,  13.874, -100.971)  (-58.268,  13.545, -99.127)  ( 0.76,  2.38,  1.83)
185:     bond    (-38.862, -10.395, -15.474)  (-38.837, -10.368, -15.471)  ( 0.07,  0.26,  0.02)
185:     angle   (-109.964, -43.953, -25.984)  (-109.949, -43.939, -25.981)  ( 0.01,  0.03,  0.01)
185:     torsion ( 21.720,  18.174, -85.176)  ( 21.721,  18.175, -85.164)  ( 0.00,  0.00,  0.01)
185:     oop     (  2.730,   2.131, -10.332)  (  2.250,   1.759,  -8.506)  (17.57, 17.48, 17.67)
185:     vdw     ( 66.545,  47.917,  35.994)  ( 66.546,  47.918,  35.994)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (184.459, -239.482, -29.973)  (184.508, -239.437, -29.957)  ( 0.03,  0.02,  0.06)
185:     bond    (-32.139,   7.417,  -7.582)  (-32.111,   7.449,  -7.577)  ( 0.09,  0.43,  0.06)
185:     angle   (144.581, -202.810, -20.798)  (144.599, -202.798, -20.794)  ( 0.01,  0.01,  0.02)
185:     torsion ( -1.634,  -4.597,  -9.079)  ( -1.633,  -4.596,  -9.069)  ( 0.06,  0.02,  0.11)
185:     oop     ( -0.003,  -0.005,   0.035)  ( -0.004,  -0.005,   0.033)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 73.655, -39.487,   7.449)  ( 73.657, -39.486,   7.449)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-72.114, 270.082, 106.351)  (-72.064, 270.118, 106.344)  ( 0.07,  0.01,  0.01)
185:     bond    ( 18.507,  66.722,  22.387)  ( 18.545,  66.737,  22.391)  ( 0.21,  0.02,  0.02)
185:     angle   (-58.001, 253.644,  45.410)  (-57.997, 253.659,  45.411)  ( 0.01,  0.01,  0.00)
185:     torsion (-14.088, -14.246,  55.093)  (-14.087, -14.246,  55.103)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.043,  -0.038,   0.154)  ( -0.037,  -0.032,   0.132)  ( 0.03,  0.02,  0.34)
185:     vdw     (-18.489, -36.000, -16.693)  (-18.488, -35.999, -16.693)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (-144.386, -274.299, -65.742)  (-144.318, -274.236, -65.806)  ( 0.05,  0.02,  0.10)
185:     bond    ( 24.508, -14.699,   2.276)  ( 24.539, -14.671,   2.278)  ( 0.13,  0.19,  0.12)
185:     angle   (-110.762, -191.038, -70.306)  (-110.747, -191.026, -70.305)  ( 0.01,  0.01,  0.00)
185:     torsion ( -6.352,  -6.639,  30.953)  ( -6.351,  -6.638,  30.969)  ( 0.01,  0.01,  0.05)
185:     oop     ( -0.117,  -0.124,   0.529)  ( -0.098,  -0.104,   0.445)  ( 0.22,  0.25,  4.46)
185:     vdw     (-51.662, -61.799, -29.194)  (-51.661, -61.798, -29.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (122.317, 204.297,  91.404)  (122.354, 204.333,  91.400)  ( 0.03,  0.02,  0.00)
185:     bond    (-59.287,  40.804, -39.722)  (-59.267,  40.822, -39.705)  ( 0.03,  0.04,  0.04)
185:     angle   (169.152, 160.163, 141.143)  (169.162, 160.174, 141.153)  ( 0.01,  0.01,  0.01)
185:     torsion ( 11.730,  31.489,  -2.761)  ( 11.730,  31.488,  -2.760)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.052,  -0.048,   0.202)  ( -0.044,  -0.041,   0.170)  ( 0.04,  0.04,  0.63)
185:     vdw     (  0.773, -28.111,  -7.459)  (  0.773, -28.110,  -7.459)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (203.160, -45.288, -431.202)  (202.847, -45.562, -429.849)  ( 0.15,  0.61,  0.31)
185:     bond    ( 95.715,  18.633, -250.426)  ( 95.719,  18.665, -250.410)  ( 0.00,  0.17,  0.01)
185:     angle   (101.532, -91.827, -165.456)  (101.541, -91.824, -165.450)  ( 0.01,  0.00,  0.00)
185:     torsion ( 13.941,   3.202,  -5.164)  ( 13.941,   3.202,  -5.161)  ( 0.00,  0.01,  0.05)
185:     oop     (  2.059,   1.964,  -8.438)  (  1.732,   1.654,  -7.110)  (15.90, 15.77, 15.74)
185:     vdw     (-10.088,  22.740,  -1.718)  (-10.086,  22.741,  -1.718)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-119.586,  -4.170, 306.701)  (-119.558,  -4.136, 306.738)  ( 0.02,  0.82,  0.01)
185:     bond    (-74.362, -193.521, 251.137)  (-74.343, -193.499, 251.163)  ( 0.03,  0.01,  0.01)
185:     angle   (-42.941, 160.865,  63.012)  (-42.932, 160.877,  63.023)  ( 0.02,  0.01,  0.02)
185:     torsion (  3.312,   2.617,   2.887)  (  3.313,   2.617,   2.887)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.595,  25.869, -10.335)  ( -5.595,  25.869, -10.335)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (  1.128, -17.670,   8.275)  (  1.188, -17.614,   8.174)  ( 5.31,  0.31,  1.23)
185:     bond    (-74.691, -54.906, -31.978)  (-74.672, -54.888, -31.960)  ( 0.03,  0.03,  0.06)
185:     angle   ( 57.560,  23.646,  21.495)  ( 57.570,  23.656,  21.502)  ( 0.02,  0.04,  0.03)
185:     torsion ( -0.752,  -2.541,   6.822)  ( -0.753,  -2.542,   6.822)  ( 0.05,  0.04,  0.01)
185:     oop     ( -0.164,  -0.141,   0.673)  ( -0.133,  -0.114,   0.545)  ( 0.51,  0.38,  8.62)
185:     vdw     ( 19.175,  16.273,  11.263)  ( 19.176,  16.274,  11.263)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (  7.300, -10.594,  -0.715)  (  7.342, -10.551,  -0.744)  ( 0.59,  0.40,  2.08)
185:     bond    ( 70.242, -27.806,  10.923)  ( 70.262, -27.788,  10.941)  ( 0.03,  0.06,  0.17)
185:     angle   (-42.172,  23.429,  -1.074)  (-42.163,  23.439,  -1.067)  ( 0.02,  0.04,  0.67)
185:     torsion (  0.776,   0.111,  -5.336)  (  0.776,   0.112,  -5.332)  ( 0.02,  0.01,  0.06)
185:     oop     ( -0.068,  -0.069,   0.306)  ( -0.055,  -0.056,   0.248)  ( 0.09,  0.09,  1.78)
185:     vdw     (-21.478,  -6.259,  -5.534)  (-21.477,  -6.258,  -5.534)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-347.962, -83.970, -34.862)  (-347.919, -83.904, -34.737)  ( 0.01,  0.08,  0.36)
185:     bond    (-95.159,  57.313, -18.541)  (-95.123,  57.343, -18.539)  ( 0.04,  0.05,  0.01)
185:     angle   (-217.544, -227.821,   8.524)  (-217.526, -227.800,   8.524)  ( 0.01,  0.01,  0.00)
185:     torsion (  0.732,  -1.049,  -7.161)  (  0.733,  -1.048,  -7.131)  ( 0.03,  0.07,  0.43)
185:     oop     (  0.065,  -0.091,  -0.610)  (  0.054,  -0.078,  -0.517)  ( 0.07,  0.12,  5.67)
185:     vdw     (-36.057,  87.678, -17.073)  (-36.056,  87.680, -17.073)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-47.159,   1.404,  -6.248)  (-47.121,   1.446,  -6.216)  ( 0.08,  2.99,  0.52)
185:     bond    (  4.431, -78.812,  12.662)  (  4.458, -78.785,  12.664)  ( 0.61,  0.03,  0.01)
185:     angle   (-82.462,  46.267, -15.546)  (-82.451,  46.280, -15.546)  ( 0.01,  0.03,  0.00)
185:     torsion (  0.144,  -0.241,  -1.412)  (  0.144,  -0.240,  -1.388)  ( 0.00,  0.01,  1.66)
185:     oop     ( -0.002,   0.003,   0.018)  ( -0.003,   0.004,   0.025)  ( 0.00,  0.00,  0.01)
185:     vdw     ( 30.730,  34.187,  -1.971)  ( 30.731,  34.188,  -1.971)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       ( 96.852,   4.630,   8.342)  ( 96.892,   4.670,   8.379)  ( 0.04,  0.87,  0.43)
185:     bond    (-81.099, -19.893,  -5.762)  (-81.075, -19.864,  -5.760)  ( 0.03,  0.15,  0.03)
185:     angle   ( 84.801,  33.466,   4.032)  ( 84.815,  33.475,   4.033)  ( 0.02,  0.03,  0.01)
185:     torsion (  0.104,  -0.149,  -0.999)  (  0.104,  -0.149,  -0.979)  ( 0.00,  0.01,  2.05)
185:     oop     (  0.008,  -0.012,  -0.078)  (  0.007,  -0.010,  -0.064)  ( 0.00,  0.00,  0.10)
185:     vdw     ( 93.038,  -8.781,  11.149)  ( 93.040,  -8.782,  11.149)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( 24.690, -95.271,  15.467)  ( 24.730, -95.231,  15.482)  ( 0.16,  0.04,  0.10)
185:     bond    ( -7.132,  82.507, -13.213)  ( -7.103,  82.532, -13.212)  ( 0.40,  0.03,  0.01)
185:     angle   ( -4.266, -90.118,  13.138)  ( -4.256, -90.105,  13.138)  ( 0.23,  0.01,  0.00)
185:     torsion (  0.185,  -0.262,  -1.771)  (  0.185,  -0.261,  -1.751)  ( 0.00,  0.01,  1.16)
185:     oop     ( -0.005,   0.007,   0.047)  ( -0.004,   0.006,   0.039)  ( 0.00,  0.00,  0.04)
185:     vdw     ( 35.908, -87.405,  17.267)  ( 35.909, -87.403,  17.267)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-14.226,  47.407,  -7.376)  (-14.186,  47.450,  -7.339)  ( 0.27,  0.09,  0.50)
185:     bond    ( 79.107,  23.236,   4.878)  ( 79.134,  23.262,   4.880)  ( 0.03,  0.11,  0.03)
185:     angle   (-66.419,  62.051, -14.039)  (-66.406,  62.063, -14.039)  ( 0.02,  0.02,  0.00)
185:     torsion (  0.056,  -0.204,  -1.211)  (  0.056,  -0.203,  -1.189)  ( 0.00,  0.01,  1.85)
185:     oop     ( -0.002,   0.001,   0.008)  ( -0.003,   0.003,   0.021)  ( 0.00,  0.00,  0.01)
185:     vdw     (-26.968, -37.677,   2.988)  (-26.968, -37.676,   2.988)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-39.515, 382.680, -63.790)  (-39.454, 382.721, -63.819)  ( 0.16,  0.01,  0.04)
185:     bond    (-133.796,  87.788, -25.421)  (-133.762,  87.821, -25.419)  ( 0.03,  0.04,  0.01)
185:     angle   (188.007, 285.937, -24.977)  (188.027, 285.953, -24.977)  ( 0.01,  0.01,  0.00)
185:     torsion (  0.382,  -0.385,  -2.583)  (  0.383,  -0.384,  -2.558)  ( 0.01,  0.02,  0.99)
185:     oop     ( -0.021,   0.035,   0.233)  ( -0.016,   0.027,   0.176)  ( 0.01,  0.03,  1.31)
185:     vdw     (-94.088,   9.305, -11.042)  (-94.085,   9.305, -11.042)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (212.966, -78.853,  86.599)  (213.063, -78.852,  86.189)  ( 0.05,  0.00,  0.47)
185:     bond    ( 32.722, -204.290,  33.509)  ( 32.759, -204.250,  33.510)  ( 0.11,  0.02,  0.00)
185:     angle   (159.584, 163.634, -10.633)  (159.597, 163.653, -10.632)  ( 0.01,  0.01,  0.01)
185:     torsion ( -5.949,   8.499,  59.353)  ( -5.949,   8.500,  59.376)  ( 0.00,  0.01,  0.04)
185:     oop     ( -0.214,   0.297,   2.136)  ( -0.168,   0.239,   1.700)  ( 0.99,  1.74, 20.41)
185:     vdw     ( 26.823, -46.995,   2.235)  ( 26.824, -46.994,   2.235)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (1019.396, 300.440,  81.714)  (1019.454, 300.455,  81.497)  ( 0.01,  0.00,  0.27)
185:     bond    (111.633,   0.358,   7.479)  (111.661,   0.396,   7.479)  ( 0.03,  1.35,  0.00)
185:     angle   (888.998, 300.890,  82.517)  (889.014, 300.903,  82.518)  ( 0.00,  0.00,  0.00)
185:     torsion ( -0.754,   0.132,   4.980)  ( -0.754,   0.133,   4.992)  ( 0.00,  0.00,  0.25)
185:     oop     ( -0.014,   0.046,   0.300)  ( -0.002,   0.010,   0.069)  ( 0.02,  0.17,  6.96)
185:     vdw     ( 19.534,  -0.986, -13.562)  ( 19.534,  -0.986, -13.562)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (-388.615, -447.620,  27.265)  (-388.593, -447.552,  27.475)  ( 0.01,  0.02,  0.77)
185:     bond    (187.005, -176.800,  44.071)  (187.029, -176.769,  44.073)  ( 0.01,  0.02,  0.00)
185:     angle   (-578.131, -267.848,  -1.152)  (-578.119, -267.841,  -1.153)  ( 0.00,  0.00,  0.03)
185:     torsion (  0.858,  -2.027, -13.278)  (  0.858,  -2.026, -13.269)  ( 0.01,  0.01,  0.06)
185:     oop     (  0.040,  -0.081,  -0.537)  (  0.027,  -0.051,  -0.337)  ( 0.05,  0.25, 10.76)
185:     vdw     (  1.612,  -0.864,  -1.840)  (  1.612,  -0.864,  -1.840)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-794.623, -314.468, -466.439)  (-794.605, -314.423, -466.288)  ( 0.00,  0.01,  0.03)
185:     bond    (-161.101,   6.643, -48.436)  (-161.085,   6.666, -48.428)  ( 0.01,  0.34,  0.02)
185:     angle   (-581.286, -318.955, -397.058)  (-581.278, -318.953, -397.054)  ( 0.00,  0.00,  0.00)
185:     torsion (  3.410,  -0.722, -12.178)  (  3.410,  -0.722, -12.176)  ( 0.00,  0.01,  0.02)
185:     oop     (  0.022,  -0.047,  -0.324)  (  0.014,  -0.027,  -0.187)  ( 0.02,  0.10,  4.46)
185:     vdw     (-55.668,  -1.388,  -8.443)  (-55.666,  -1.388,  -8.443)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-105.736, 234.763, 265.708)  (-105.719, 234.782, 265.709)  ( 0.02,  0.01,  0.00)
185:     bond    ( 86.180, 110.253,  19.659)  ( 86.189, 110.267,  19.659)  ( 0.01,  0.01,  0.00)
185:     angle   ( 55.099, -87.896, 251.431)  ( 55.101, -87.895, 251.433)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.509,   0.859,   1.795)  ( -1.509,   0.859,   1.795)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-245.506, 211.547,  -7.177)  (-245.500, 211.551,  -7.178)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (-22.924,  48.489,   2.238)  (-22.916,  48.496,   2.254)  ( 0.03,  0.01,  0.74)
185:     bond    ( 13.208,  12.111,   5.841)  ( 13.216,  12.117,   5.843)  ( 0.06,  0.05,  0.03)
185:     angle   (-43.891,  47.393,   0.985)  (-43.889,  47.395,   0.985)  ( 0.01,  0.00,  0.01)
185:     torsion (  0.664,   0.643,  -2.841)  (  0.664,   0.644,  -2.838)  ( 0.01,  0.01,  0.12)
185:     oop     (  0.018,   0.019,  -0.080)  (  0.016,   0.016,  -0.069)  ( 0.00,  0.01,  0.09)
185:     vdw     (  7.076, -11.676,  -1.667)  (  7.077, -11.676,  -1.667)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( -7.837, -44.589,   4.424)  ( -7.833, -44.576,   4.426)  ( 0.06,  0.03,  0.05)
185:     bond    ( -6.253, -34.723,   4.129)  ( -6.253, -34.710,   4.129)  ( 0.00,  0.04,  0.00)
185:     angle   ( -4.590,   0.221,  -5.090)  ( -4.587,   0.221,  -5.088)  ( 0.07,  0.00,  0.05)
185:     torsion (  0.281,  -1.964, -16.082)  (  0.280,  -1.964, -16.083)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.725,  -8.123,  21.468)  (  2.726,  -8.123,  21.468)  ( 0.04,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (  6.785, -15.171,  48.550)  (  6.791, -15.167,  48.560)  ( 0.08,  0.03,  0.02)
185:     bond    ( 22.381,  13.458,  37.096)  ( 22.384,  13.459,  37.105)  ( 0.01,  0.01,  0.02)
185:     angle   (-15.995,  32.011,  -1.965)  (-15.993,  32.013,  -1.964)  ( 0.01,  0.01,  0.04)
185:     torsion ( -6.680, -21.602,  11.866)  ( -6.681, -21.603,  11.866)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.079, -39.037,   1.553)  (  7.080, -39.036,   1.553)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       ( 21.953, -18.144, -48.857)  ( 21.956, -18.136, -48.846)  ( 0.01,  0.04,  0.02)
185:     bond    (  8.565, -18.256, -28.608)  (  8.566, -18.252, -28.599)  ( 0.01,  0.02,  0.03)
185:     angle   ( -5.074, -43.418,  26.189)  ( -5.072, -43.416,  26.189)  ( 0.03,  0.01,  0.00)
185:     torsion (  9.100,  -0.002,   2.727)  (  9.100,  -0.002,   2.727)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.362,  43.533, -49.165)  (  9.362,  43.534, -49.164)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (-32.837,  20.876, -23.101)  (-32.827,  20.882, -23.098)  ( 0.03,  0.03,  0.02)
185:     bond    (-33.689,  24.661,  -9.207)  (-33.681,  24.666,  -9.207)  ( 0.03,  0.02,  0.00)
185:     angle   (  4.466,   3.179,  -7.826)  (  4.467,   3.180,  -7.823)  ( 0.03,  0.05,  0.04)
185:     torsion ( -3.400,  -6.881,  -5.998)  ( -3.400,  -6.881,  -5.998)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.214,  -0.083,  -0.070)  ( -0.214,  -0.083,  -0.070)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       ( 29.459,  32.359,   5.387)  ( 29.468,  32.365,   5.391)  ( 0.03,  0.02,  0.08)
185:     bond    ( 32.279,  25.004,  10.637)  ( 32.287,  25.009,  10.638)  ( 0.02,  0.02,  0.01)
185:     angle   (  2.262,  -0.130,  -6.570)  (  2.263,  -0.129,  -6.566)  ( 0.04,  0.02,  0.05)
185:     torsion ( -4.847,   5.257,   2.351)  ( -4.847,   5.257,   2.351)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.236,   2.228,  -1.031)  ( -0.236,   2.228,  -1.031)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 23.800,  -9.730,  23.722)  ( 23.807,  -9.723,  23.727)  ( 0.03,  0.07,  0.02)
185:     bond    ( 31.491, -22.473,  25.990)  ( 31.497, -22.470,  25.994)  ( 0.02,  0.01,  0.02)
185:     angle   (-10.048, -31.603, -15.144)  (-10.047, -31.601, -15.143)  ( 0.01,  0.01,  0.01)
185:     torsion ( -0.676,   0.286,   1.067)  ( -0.676,   0.286,   1.066)  ( 0.01,  0.00,  0.05)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.033,  44.061,  11.809)  (  3.033,  44.062,  11.809)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       ( 15.633,  15.357, -37.055)  ( 15.637,  15.361, -37.045)  ( 0.03,  0.02,  0.03)
185:     bond    ( 19.159,  16.724, -32.895)  ( 19.161,  16.726, -32.887)  ( 0.01,  0.01,  0.03)
185:     angle   ( -3.819,  -4.250,  -4.386)  ( -3.817,  -4.248,  -4.385)  ( 0.05,  0.04,  0.03)
185:     torsion ( -1.276,   1.541,   0.040)  ( -1.276,   1.540,   0.040)  ( 0.02,  0.03,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.569,   1.342,   0.187)  (  1.569,   1.342,   0.187)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-19.753,  28.914,  24.017)  (-19.748,  28.922,  24.022)  ( 0.02,  0.03,  0.02)
185:     bond    (-13.995,  29.540,  23.071)  (-13.993,  29.547,  23.075)  ( 0.01,  0.03,  0.02)
185:     angle   (-27.081,  -2.299, -13.480)  (-27.079,  -2.298, -13.479)  ( 0.01,  0.04,  0.01)
185:     torsion (  0.414,  -1.810,   2.570)  (  0.414,  -1.810,   2.569)  ( 0.00,  0.01,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 20.909,   3.483,  11.857)  ( 20.910,   3.483,  11.857)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (-22.297, -33.757, -28.551)  (-22.289, -33.748, -28.549)  ( 0.03,  0.03,  0.01)
185:     bond    (-25.733, -29.234,  -5.362)  (-25.727, -29.226,  -5.362)  ( 0.02,  0.03,  0.00)
185:     angle   ( 19.085, -16.487,  -1.723)  ( 19.086, -16.485,  -1.721)  ( 0.01,  0.01,  0.11)
185:     torsion (  3.333,   1.004, -21.468)  (  3.333,   1.004, -21.468)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-18.982,  10.960,   0.002)  (-18.982,  10.960,   0.002)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       (-12.011,   7.338,  43.758)  (-12.007,   7.343,  43.768)  ( 0.03,  0.07,  0.02)
185:     bond    (-11.801,  20.330,  32.128)  (-11.800,  20.334,  32.137)  ( 0.01,  0.02,  0.03)
185:     angle   ( 16.633,   4.884,   3.016)  ( 16.635,   4.886,   3.016)  ( 0.01,  0.03,  0.03)
185:     torsion ( -7.580, -17.156,   8.071)  ( -7.580, -17.155,   8.072)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -9.262,  -0.721,   0.543)  ( -9.262,  -0.721,   0.543)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       ( 11.313,  44.694, -21.813)  ( 11.315,  44.701, -21.804)  ( 0.02,  0.01,  0.04)
185:     bond    ( -1.579,  24.927, -33.437)  ( -1.579,  24.932, -33.428)  ( 0.01,  0.02,  0.03)
185:     angle   ( 11.630,   2.486,   1.305)  ( 11.633,   2.487,   1.306)  ( 0.02,  0.05,  0.05)
185:     torsion (  4.701,  17.021,  12.473)  (  4.701,  17.021,  12.473)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.440,   0.260,  -2.154)  ( -3.440,   0.260,  -2.154)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       ( -0.828,  -5.232,  -0.655)  ( -0.821,  -5.219,  -0.641)  ( 0.59,  0.24,  0.91)
185:     bond    ( -3.744,  -5.083,   0.375)  ( -3.739,  -5.074,   0.375)  ( 0.14,  0.19,  0.00)
185:     angle   (  2.261,  -1.631,   0.531)  (  2.264,  -1.629,   0.531)  ( 0.12,  0.08,  0.00)
185:     torsion (  0.141,  -0.201,  -1.325)  (  0.141,  -0.201,  -1.320)  ( 0.00,  0.00,  0.39)
185:     oop     (  0.005,  -0.007,  -0.043)  (  0.004,  -0.005,  -0.034)  ( 0.00,  0.00,  0.04)
185:     vdw     (  0.510,   1.690,  -0.193)  (  0.510,   1.690,  -0.193)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       (-26.249,   5.898,  -5.175)  (-26.234,   5.903,  -5.171)  ( 0.06,  0.07,  0.08)
185:     bond    (-29.191,   3.711,  -3.730)  (-29.177,   3.711,  -3.730)  ( 0.05,  0.01,  0.01)
185:     angle   (  0.259,   1.789,  -0.245)  (  0.259,   1.793,  -0.245)  ( 0.00,  0.22,  0.00)
185:     torsion (  0.150,  -0.213,  -1.393)  (  0.150,  -0.213,  -1.388)  ( 0.00,  0.00,  0.34)
185:     oop     ( -0.001,   0.001,   0.007)  ( -0.001,   0.001,   0.006)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.534,   0.611,   0.186)  (  2.534,   0.612,   0.186)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (-14.760,  22.916,  -4.947)  (-14.755,  22.930,  -4.936)  ( 0.04,  0.06,  0.22)
185:     bond    (-12.077,  26.778,  -5.388)  (-12.074,  26.791,  -5.387)  ( 0.02,  0.05,  0.01)
185:     angle   ( -2.847,  -1.306,  -0.117)  ( -2.843,  -1.305,  -0.117)  ( 0.12,  0.05,  0.00)
185:     torsion ( -0.021,   0.028,   0.184)  ( -0.021,   0.028,   0.189)  ( 0.00,  0.00,  0.09)
185:     oop     (  0.004,  -0.005,  -0.036)  (  0.003,  -0.005,  -0.030)  ( 0.00,  0.00,  0.02)
185:     vdw     (  0.181,  -2.579,   0.409)  (  0.181,  -2.579,   0.409)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (  1.676,   4.570,   2.504)  (  1.683,   4.583,   2.523)  ( 0.40,  0.29,  0.76)
185:     bond    (  3.709,   4.859,  -0.358)  (  3.715,   4.869,  -0.358)  ( 0.15,  0.19,  0.00)
185:     angle   ( -0.235,   0.177,   0.010)  ( -0.232,   0.178,   0.010)  ( 0.06,  0.02,  0.00)
185:     torsion ( -0.300,   0.446,   2.942)  ( -0.300,   0.446,   2.947)  ( 0.00,  0.01,  0.18)
185:     oop     (  0.007,  -0.011,  -0.070)  (  0.006,  -0.009,  -0.056)  ( 0.00,  0.00,  0.10)
185:     vdw     ( -1.505,  -0.901,  -0.020)  ( -1.505,  -0.901,  -0.020)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       (346.901, -95.929, -20.455)  (346.888, -95.873, -20.204)  ( 0.00,  0.06,  1.23)
185:     bond    ( 22.848,  82.013,  -8.313)  ( 22.850,  82.033,  -8.313)  ( 0.01,  0.02,  0.00)
185:     angle   ( 43.123, -11.220,   7.821)  ( 43.127, -11.220,   7.821)  ( 0.01,  0.00,  0.00)
185:     torsion (  2.724,  -3.366, -25.736)  (  2.724,  -3.366, -25.730)  ( 0.00,  0.00,  0.02)
185:     oop     (  0.108,  -0.137,  -1.058)  (  0.082,  -0.105,  -0.811)  ( 0.28,  0.44, 23.28)
185:     vdw     (278.098, -163.217,   6.830)  (278.106, -163.215,   6.829)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 28 # gradients 
185: ok 29 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-163.075, -474.890, -57.206)  (-163.047, -474.859, -57.180)  ( 0.02,  0.01,  0.04)
185:     bond    ( 10.155,  19.969,   0.323)  ( 10.175,  19.991,   0.338)  ( 0.19,  0.11,  0.49)
185:     angle   (-166.513, -477.310, -56.180)  (-166.506, -477.302, -56.172)  ( 0.00,  0.00,  0.01)
185:     torsion (  7.010,  -4.799,  10.158)  (  7.011,  -4.798,  10.160)  ( 0.02,  0.02,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-13.727, -12.750, -11.507)  (-13.727, -12.750, -11.507)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-185.923,  62.793, 314.602)  (-185.888,  62.822, 314.635)  ( 0.02,  0.05,  0.01)
185:     bond    ( 28.291, -13.551,   9.130)  ( 28.313, -13.535,   9.151)  ( 0.08,  0.11,  0.23)
185:     angle   (-187.741,  52.878, 312.514)  (-187.730,  52.889, 312.523)  ( 0.01,  0.02,  0.00)
185:     torsion (-17.771,  15.168,  -1.323)  (-17.770,  15.170,  -1.320)  ( 0.01,  0.02,  0.21)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.702,   8.298,  -5.719)  ( -8.702,   8.298,  -5.719)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (145.042, 279.559, -217.864)  (145.366, 274.911, -220.980)  ( 0.22,  1.66,  1.43)
185:     bond    (-10.523, -16.759,  19.236)  (-10.498, -16.741,  19.252)  ( 0.24,  0.11,  0.08)
185:     angle   (141.977,  95.083, -322.895)  (141.986,  95.092, -322.885)  ( 0.01,  0.01,  0.00)
185:     torsion ( 12.311, 190.496,  93.133)  ( 12.311, 190.498,  93.135)  ( 0.00,  0.00,  0.00)
185:     oop     ( -1.275,   9.366,   7.168)  ( -0.986,   4.689,   4.023)  (22.68, 49.94, 43.87)
185:     vdw     (  2.553,   1.373, -14.505)  (  2.553,   1.373, -14.505)  ( 0.01,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-11.121, 280.261, 332.746)  (-11.095, 280.289, 332.776)  ( 0.24,  0.01,  0.01)
185:     bond    (  3.052, -16.442,  -9.180)  (  3.067, -16.423,  -9.158)  ( 0.51,  0.11,  0.24)
185:     angle   (-10.957, 275.042, 333.586)  (-10.947, 275.050, 333.593)  ( 0.08,  0.00,  0.00)
185:     torsion (  2.849,   6.311,  -2.954)  (  2.851,   6.313,  -2.954)  ( 0.06,  0.03,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.066,  15.350,  11.294)  ( -6.066,  15.350,  11.295)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (-407.180, -1026.420, -543.624)  (-403.176, -1014.002, -526.936)  ( 0.98,  1.21,  3.07)
185:     bond    ( 44.303, -89.317, -58.711)  ( 44.329, -89.299, -58.699)  ( 0.06,  0.02,  0.02)
185:     angle   (-180.234, -528.382, 114.838)  (-180.225, -528.371, 114.849)  ( 0.01,  0.00,  0.01)
185:     torsion (-216.277, -471.062, -553.300)  (-216.275, -471.062, -553.302)  ( 0.00,  0.00,  0.00)
185:     oop     ( -9.806, -26.602, -41.203)  ( -5.841, -14.216, -24.535)  (40.44, 46.56, 40.45)
185:     vdw     (-45.164,  88.944,  -5.248)  (-45.164,  88.946,  -5.248)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (561.543, 698.044, 129.649)  (556.715, 692.073, 124.218)  ( 0.86,  0.86,  4.19)
185:     bond    (-28.103, -57.233,  82.338)  (-28.077, -57.213,  82.346)  ( 0.09,  0.04,  0.01)
185:     angle   (281.089, 416.870, -172.124)  (281.096, 416.881, -172.117)  ( 0.00,  0.00,  0.00)
185:     torsion (240.406, 261.628, 254.450)  (240.408, 261.630, 254.450)  ( 0.00,  0.00,  0.00)
185:     oop     ( 14.615,  15.383,  18.011)  (  9.750,   9.378,  12.564)  (33.29, 39.04, 30.25)
185:     vdw     ( 53.537,  61.395, -53.026)  ( 53.537,  61.396, -53.025)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-662.354, -111.205, 141.994)  (-657.360, -112.857, 138.909)  ( 0.75,  1.49,  2.17)
185:     bond    (-168.069, -26.034,   8.805)  (-168.042, -26.012,   8.811)  ( 0.02,  0.09,  0.07)
185:     angle   (-336.147, -93.011,   9.328)  (-336.136, -93.002,   9.334)  ( 0.00,  0.01,  0.07)
185:     torsion (-252.846, -13.122, 139.543)  (-252.846, -13.121, 139.537)  ( 0.00,  0.01,  0.00)
185:     oop     (-15.508,   5.435,  12.366)  (-10.554,   3.749,   9.275)  (31.95, 31.02, 25.00)
185:     vdw     (110.216,  15.528, -28.048)  (110.219,  15.529, -28.048)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (250.136, -518.519, 549.490)  (247.415, -515.289, 546.478)  ( 1.09,  0.62,  0.55)
185:     bond    (  1.458,  71.116,  68.487)  (  1.475,  71.143,  68.499)  ( 1.21,  0.04,  0.02)
185:     angle   (154.409, -485.366, 569.972)  (154.424, -485.348, 569.983)  ( 0.01,  0.00,  0.00)
185:     torsion ( 34.783,  -7.281, -106.662)  ( 34.783,  -7.282, -106.665)  ( 0.00,  0.01,  0.00)
185:     oop     ( 10.990, -10.864,   8.861)  (  8.236,  -7.681,   5.829)  (25.06, 29.30, 34.22)
185:     vdw     ( 48.496, -86.123,   8.832)  ( 48.497, -86.121,   8.832)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (439.497, 441.908, -1179.811)  (434.517, 434.975, -1176.814)  ( 1.13,  1.57,  0.25)
185:     bond    ( 61.002,  37.800, -126.985)  ( 61.019,  37.811, -126.957)  ( 0.03,  0.03,  0.02)
185:     angle   (488.272, 508.141, -851.857)  (488.299, 508.158, -851.826)  ( 0.01,  0.00,  0.00)
185:     torsion (-69.212, -104.841, -271.849)  (-69.215, -104.847, -271.852)  ( 0.00,  0.01,  0.00)
185:     oop     ( 11.805,  20.515,  -8.930)  (  6.784,  13.558,  -5.990)  (42.54, 33.91, 32.92)
185:     vdw     (-52.371, -19.707,  79.811)  (-52.370, -19.705,  79.812)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-310.545, -438.789, 1524.655)  (-310.723, -442.223, 1511.710)  ( 0.06,  0.78,  0.85)
185:     bond    ( 70.628,  28.998,   6.944)  ( 70.646,  29.024,   6.955)  ( 0.03,  0.09,  0.16)
185:     angle   (-393.833, -564.110, 1041.613)  (-393.811, -564.068, 1041.665)  ( 0.01,  0.01,  0.01)
185:     torsion (107.997,  97.872, 391.223)  (107.999,  97.871, 391.223)  ( 0.00,  0.00,  0.00)
185:     oop     (  1.581,  10.950,  33.987)  (  1.357,   7.451,  20.979)  (14.16, 31.96, 38.27)
185:     vdw     (-96.918, -12.500,  50.888)  (-96.915, -12.500,  50.888)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (425.491, 106.564, -171.779)  (386.458, 106.281, -139.633)  ( 9.17,  0.27, 18.71)
185:     bond    ( -9.197,  36.479,   4.844)  ( -9.178,  36.501,   4.864)  ( 0.21,  0.06,  0.39)
185:     angle   (256.003,  82.383, -340.147)  (256.014,  82.397, -340.136)  ( 0.00,  0.02,  0.00)
185:     torsion (109.631,  15.471, 237.942)  (109.634,  15.472, 237.944)  ( 0.00,  0.01,  0.00)
185:     oop     ( 63.741, -19.452, -68.052)  ( 24.674, -19.772, -35.939)  (61.29,  1.65, 47.19)
185:     vdw     (  5.314,  -8.316,  -6.366)  (  5.314,  -8.316,  -6.366)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (149.932, -39.572, -344.415)  (149.960, -39.544, -344.384)  ( 0.02,  0.07,  0.01)
185:     bond    ( -4.442,   1.405,   6.036)  ( -4.425,   1.422,   6.058)  ( 0.40,  1.19,  0.36)
185:     angle   (150.728, -38.064, -341.656)  (150.736, -38.055, -341.647)  ( 0.01,  0.02,  0.00)
185:     torsion (  2.661,  10.075,  -1.921)  (  2.662,  10.077,  -1.921)  ( 0.05,  0.02,  0.03)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.986, -12.988,  -6.874)  (  0.986, -12.988,  -6.874)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (-71.366, -3248.159, 6275.535)  ( 18.746, -3255.267, 6213.962)  (126.27,  0.22,  0.98)
185:     bond    (-24.751,  -1.393, -11.881)  (-24.732,  -1.375, -11.844)  ( 0.08,  1.31,  0.31)
185:     angle   ( 96.308, -3293.527, 6182.157)  ( 96.347, -3293.377, 6182.697)  ( 0.04,  0.00,  0.01)
185:     torsion ( 35.429, -20.000, -40.923)  ( 35.428, -19.999, -40.925)  ( 0.00,  0.00,  0.01)
185:     oop     (-188.460,  78.650, 129.944)  (-98.405,  71.374,  67.796)  (47.78,  9.25, 47.83)
185:     vdw     ( 10.107, -11.890,  16.238)  ( 10.108, -11.890,  16.238)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (-2429.877, -941.912, -3598.395)  (-2440.493, -931.780, -3592.480)  ( 0.44,  1.08,  0.16)
185:     bond    (  5.843,   7.534,  -6.324)  (  5.851,   7.567,  -6.314)  ( 0.13,  0.44,  0.16)
185:     angle   (-2494.865, -915.953, -3613.099)  (-2494.774, -915.935, -3612.911)  ( 0.00,  0.00,  0.01)
185:     torsion ( 12.549,  10.708,  27.711)  ( 12.517,  10.708,  27.682)  ( 0.25,  0.00,  0.10)
185:     oop     ( 38.865, -36.829, -21.148)  ( 28.182, -26.749, -15.402)  (27.49, 27.37, 27.17)
185:     vdw     (  7.730,  -7.371,  14.464)  (  7.730,  -7.371,  14.465)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       (2275.150, 4110.172, -2528.710)  (2235.661, 4108.150, -2502.586)  ( 1.74,  0.05,  1.03)
185:     bond    ( -0.918,  -0.369,  -1.437)  ( -0.909,  -0.368,  -1.414)  ( 0.86,  0.06,  1.58)
185:     angle   (2212.532, 4119.830, -2494.022)  (2212.617, 4120.053, -2493.951)  ( 0.00,  0.01,  0.00)
185:     torsion (-23.370,   9.163,  12.638)  (-23.369,   9.163,  12.639)  ( 0.00,  0.00,  0.00)
185:     oop     ( 82.164, -23.441, -46.720)  ( 42.580, -25.687, -20.690)  (48.18,  9.58, 55.71)
185:     vdw     (  4.741,   4.990,   0.830)  (  4.742,   4.990,   0.830)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       ( 29.563, 159.802, -18.007)  ( 29.576, 159.805, -18.005)  ( 0.05,  0.00,  0.01)
185:     bond    (  9.037,  -1.524,  -0.203)  (  9.050,  -1.524,  -0.203)  ( 0.15,  0.03,  0.00)
185:     angle   ( 28.049, 169.417, -21.211)  ( 28.049, 169.420, -21.210)  ( 0.00,  0.00,  0.01)
185:     torsion (  0.210,   0.398,   6.373)  (  0.210,   0.398,   6.374)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -7.733,  -8.489,  -2.966)  ( -7.733,  -8.489,  -2.966)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (110.511,  89.033, -82.861)  (110.514,  89.041, -82.852)  ( 0.00,  0.01,  0.01)
185:     bond    (  0.003,   1.672,   1.773)  (  0.003,   1.679,   1.780)  ( 0.00,  0.39,  0.41)
185:     angle   (113.837,  88.441, -83.579)  (113.839,  88.441, -83.577)  ( 0.00,  0.00,  0.00)
185:     torsion ( -2.557,   1.919,  -1.806)  ( -2.557,   1.919,  -1.805)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.771,  -2.999,   0.751)  ( -0.771,  -2.998,   0.751)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (164.360,  93.375,  89.660)  (164.363,  93.382,  89.669)  ( 0.00,  0.01,  0.01)
185:     bond    (  0.190,   3.711,  -4.053)  (  0.190,   3.718,  -4.045)  ( 0.00,  0.17,  0.19)
185:     angle   (165.611,  99.178,  98.925)  (165.613,  99.178,  98.927)  ( 0.00,  0.00,  0.00)
185:     torsion (  3.499,  -3.086,  -2.672)  (  3.499,  -3.086,  -2.672)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.940,  -6.429,  -2.540)  ( -4.939,  -6.429,  -2.540)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       ( 23.106,  96.329,  38.306)  ( 23.112,  96.336,  38.316)  ( 0.02,  0.01,  0.03)
185:     bond    (  3.354,  -4.340,   8.483)  (  3.355,  -4.337,   8.493)  ( 0.05,  0.06,  0.12)
185:     angle   ( 24.599,  88.887,  35.672)  ( 24.602,  88.890,  35.672)  ( 0.01,  0.00,  0.00)
185:     torsion (  9.356,  -0.208,  -3.802)  (  9.357,  -0.207,  -3.802)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-14.202,  11.990,  -2.047)  (-14.202,  11.990,  -2.047)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (106.847,   7.352,  -6.537)  (106.852,   7.358,  -6.526)  ( 0.00,  0.08,  0.17)
185:     bond    (  0.265,  10.534,  16.212)  (  0.265,  10.538,  16.222)  ( 0.00,  0.04,  0.06)
185:     angle   (116.143,   9.693,  -8.196)  (116.147,   9.694,  -8.196)  ( 0.00,  0.01,  0.01)
185:     torsion (-14.500, -13.124,   8.762)  (-14.500, -13.123,   8.762)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  4.940,   0.249, -23.314)  (  4.940,   0.249, -23.314)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-53.936,   9.882, -76.119)  (-53.930,   9.894, -76.116)  ( 0.01,  0.13,  0.00)
185:     bond    ( -3.527,  -8.677,   1.493)  ( -3.525,  -8.666,   1.493)  ( 0.06,  0.13,  0.03)
185:     angle   (-62.327,  13.662, -67.852)  (-62.324,  13.663, -67.850)  ( 0.00,  0.00,  0.00)
185:     torsion (  9.678,  -4.462,  -3.046)  (  9.678,  -4.462,  -3.046)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.240,   9.359,  -6.714)  (  2.241,   9.359,  -6.713)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-78.890, -72.710, -158.807)  (-78.878, -72.707, -158.804)  ( 0.02,  0.00,  0.00)
185:     bond    (  3.533,  -1.023,  -1.278)  (  3.545,  -1.022,  -1.276)  ( 0.32,  0.09,  0.12)
185:     angle   (-82.209, -82.772, -162.066)  (-82.208, -82.771, -162.064)  ( 0.00,  0.00,  0.00)
185:     torsion (  0.249,   2.761,  -1.520)  (  0.249,   2.761,  -1.519)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.463,   8.324,   6.056)  ( -0.463,   8.325,   6.056)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( 54.476, -88.167, -69.420)  ( 54.480, -88.162, -69.409)  ( 0.01,  0.01,  0.02)
185:     bond    ( -3.009,   4.808,  -9.022)  ( -3.008,   4.811,  -9.012)  ( 0.04,  0.06,  0.11)
185:     angle   ( 60.074, -98.874, -72.827)  ( 60.076, -98.872, -72.827)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.594,  -0.810,   0.099)  ( -1.594,  -0.810,   0.099)  ( 0.03,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.995,   6.710,  12.331)  ( -0.995,   6.710,  12.331)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( 78.432,  -9.054, -127.914)  ( 78.437,  -9.043, -127.911)  ( 0.01,  0.13,  0.00)
185:     bond    (  0.761,   1.681,   0.278)  (  0.763,   1.693,   0.278)  ( 0.17,  0.67,  0.01)
185:     angle   ( 80.775, -14.566, -132.840)  ( 80.777, -14.566, -132.837)  ( 0.00,  0.00,  0.00)
185:     torsion (  0.481,  -0.260,   0.258)  (  0.482,  -0.259,   0.258)  ( 0.02,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.585,   4.090,   4.389)  ( -3.585,   4.090,   4.389)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (-51.535,  44.398,  45.791)  (-51.131,  44.805,  46.918)  ( 0.78,  0.92,  2.46)
185:     bond    ( -5.493,  -9.604,   5.333)  ( -5.490,  -9.595,   5.336)  ( 0.06,  0.10,  0.05)
185:     angle   (-27.870,   8.136, -14.040)  (-27.867,   8.137, -14.040)  ( 0.01,  0.01,  0.00)
185:     torsion (-20.060,  46.688,  63.308)  (-20.060,  46.688,  63.309)  ( 0.00,  0.00,  0.00)
185:     oop     ( -2.278,  -2.485,  -6.811)  ( -1.880,  -2.088,  -5.689)  (17.47, 15.96, 16.48)
185:     vdw     (  4.166,   1.663,  -1.999)  (  4.167,   1.663,  -1.999)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (139.004, -88.908, -249.742)  (137.065, -87.642, -246.362)  ( 1.39,  1.42,  1.35)
185:     bond    ( -4.791,  -1.212,  -2.309)  ( -4.779,  -1.211,  -2.306)  ( 0.24,  0.06,  0.12)
185:     angle   ( -5.602, -26.885,  25.728)  ( -5.602, -26.882,  25.729)  ( 0.00,  0.01,  0.00)
185:     torsion (141.462, -55.192, -264.132)  (141.462, -55.192, -264.135)  ( 0.00,  0.00,  0.00)
185:     oop     (  5.926,  -3.391, -10.499)  (  3.975,  -2.129,  -7.119)  (32.92, 37.22, 32.19)
185:     vdw     (  2.008,  -2.228,   1.470)  (  2.008,  -2.228,   1.470)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (-100.572, -46.189,  20.393)  (-97.540, -41.908,  19.841)  ( 3.01,  9.27,  2.70)
185:     bond    ( -2.799,   0.425, -11.770)  ( -2.798,   0.426, -11.755)  ( 0.03,  0.00,  0.12)
185:     angle   (-15.348,  37.830,   5.022)  (-15.346,  37.831,   5.022)  ( 0.01,  0.00,  0.00)
185:     torsion (-75.920, -74.809,  15.364)  (-75.922, -74.812,  15.364)  ( 0.00,  0.00,  0.00)
185:     oop     ( -7.652, -11.933,   1.389)  ( -4.622,  -7.649,   0.823)  (39.60, 35.90, 40.75)
185:     vdw     (  1.147,   2.297,  10.387)  (  1.147,   2.297,  10.387)  ( 0.02,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (-336.241, 574.483, -339.541)  (-334.757, 575.588, -337.085)  ( 0.44,  0.19,  0.72)
185:     bond    (  3.945,   0.719,  -2.690)  (  3.955,   0.720,  -2.685)  ( 0.25,  0.03,  0.17)
185:     angle   (-310.864, 492.121, -326.047)  (-310.851, 492.147, -326.037)  ( 0.00,  0.01,  0.00)
185:     torsion (-22.615,  92.362,  -8.563)  (-22.615,  92.362,  -8.562)  ( 0.00,  0.00,  0.01)
185:     oop     ( -4.712,  -5.306,  -8.363)  ( -3.252,  -4.227,  -5.923)  (30.98, 20.34, 29.17)
185:     vdw     ( -1.995,  -5.414,   6.122)  ( -1.995,  -5.413,   6.122)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       (-15.151,   2.263,  81.298)  (-15.139,   2.270,  81.302)  ( 0.08,  0.34,  0.00)
185:     bond    ( 19.096,  11.184,   2.759)  ( 19.107,  11.188,   2.759)  ( 0.05,  0.03,  0.01)
185:     angle   (-18.411,   8.591,  92.628)  (-18.410,   8.594,  92.630)  ( 0.01,  0.03,  0.00)
185:     torsion ( -8.884,  12.396,  11.251)  ( -8.884,  12.397,  11.251)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.952, -29.909, -25.340)  ( -6.952, -29.908, -25.339)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (-41.569, -30.088, 123.256)  (-41.566, -30.074, 123.259)  ( 0.01,  0.05,  0.00)
185:     bond    ( -0.641,   4.990,   0.937)  ( -0.641,   5.004,   0.937)  ( 0.02,  0.26,  0.05)
185:     angle   (-51.949, -30.836, 129.092)  (-51.947, -30.835, 129.094)  ( 0.00,  0.00,  0.00)
185:     torsion (  7.939,   0.218,   4.263)  (  7.940,   0.218,   4.263)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.082,  -4.461, -11.036)  (  3.082,  -4.461, -11.036)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-92.387,  60.898,  62.401)  (-92.381,  60.901,  62.412)  ( 0.01,  0.01,  0.02)
185:     bond    (  2.122,  -1.132,   4.187)  (  2.125,  -1.131,   4.197)  ( 0.13,  0.07,  0.25)
185:     angle   (-96.594,  67.358,  67.047)  (-96.591,  67.360,  67.047)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.211,  -2.108,   0.045)  ( -1.211,  -2.108,   0.045)  ( 0.01,  0.02,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.296,  -3.220,  -8.878)  (  3.296,  -3.220,  -8.878)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       (  1.956,  69.960, 117.238)  (  1.968,  69.963, 117.241)  ( 0.62,  0.01,  0.00)
185:     bond    ( -3.614,  -1.283,   0.787)  ( -3.602,  -1.282,   0.788)  ( 0.33,  0.12,  0.05)
185:     angle   (  2.595,  69.724, 125.283)  (  2.595,  69.726, 125.285)  ( 0.01,  0.00,  0.00)
185:     torsion ( -1.096,   2.248,  -1.352)  ( -1.096,   2.249,  -1.352)  ( 0.01,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  4.071,  -0.730,  -7.481)  (  4.071,  -0.730,  -7.481)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       ( 55.911, -53.509, -77.574)  ( 55.901, -53.490, -77.584)  ( 0.02,  0.04,  0.01)
185:     bond    (  2.467,   6.482,  -2.894)  (  2.470,   6.500,  -2.890)  ( 0.11,  0.29,  0.13)
185:     angle   ( 68.061, -54.217, -63.765)  ( 68.059, -54.217, -63.767)  ( 0.00,  0.00,  0.00)
185:     torsion (-10.559,  -0.725, -10.654)  (-10.569,  -0.725, -10.664)  ( 0.10,  0.00,  0.10)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -4.059,  -5.049,  -0.262)  ( -4.059,  -5.049,  -0.262)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 30 # gradients 
185: ok 31 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       ( 76.598, -137.678, -29.141)  ( 76.810, -137.346, -29.823)  ( 0.28,  0.24,  2.34)
185:     bond    ( 90.698,   4.504,  26.887)  ( 90.717,   4.522,  26.905)  ( 0.02,  0.40,  0.07)
185:     angle   (  1.623, -114.544, -45.076)  (  1.632, -114.533, -45.068)  ( 0.56,  0.01,  0.02)
185:     torsion ( -0.161,   1.696,   0.297)  ( -0.162,   1.695,   0.296)  ( 0.00,  0.09,  0.02)
185:     oop     ( -1.255,  -2.021,   4.821)  ( -1.071,  -1.717,   4.113)  (14.66, 15.01, 14.68)
185:     vdw     (-14.307, -27.313, -16.070)  (-14.307, -27.312, -16.070)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-152.928, 235.846,  12.867)  (-153.710, 234.463,  16.343)  ( 0.51,  0.59, 27.02)
185:     bond    ( 18.688, 120.062,  50.687)  ( 18.719, 120.102,  50.695)  ( 0.16,  0.03,  0.02)
185:     angle   (-160.218, 103.423,  16.382)  (-160.193, 103.435,  16.386)  ( 0.02,  0.01,  0.03)
185:     torsion (  5.513,  10.248, -27.387)  (  5.513,  10.248, -27.383)  ( 0.00,  0.00,  0.01)
185:     oop     (  4.728,   8.056, -19.476)  (  3.891,   6.620, -16.015)  (17.71, 17.82, 17.77)
185:     vdw     (-21.640,  -5.943,  -7.340)  (-21.639,  -5.943,  -7.340)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-20.273, -42.385,   1.840)  (-20.269, -42.372,   1.841)  ( 0.02,  0.03,  0.07)
185:     bond    (-14.015, -41.334,   3.370)  (-14.014, -41.322,   3.369)  ( 0.01,  0.03,  0.00)
185:     angle   (  3.142,  -1.541,  -5.821)  (  3.144,  -1.541,  -5.819)  ( 0.08,  0.02,  0.04)
185:     torsion ( -1.299,   0.808,   4.512)  ( -1.299,   0.808,   4.511)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.100,  -0.318,  -0.220)  ( -8.100,  -0.318,  -0.220)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-39.832,  20.635,  23.062)  (-39.825,  20.640,  23.068)  ( 0.02,  0.03,  0.03)
185:     bond    (-24.926,  24.974,  25.987)  (-24.922,  24.978,  25.992)  ( 0.02,  0.02,  0.02)
185:     angle   ( 15.098,   9.421,   5.421)  ( 15.099,   9.423,   5.422)  ( 0.01,  0.02,  0.03)
185:     torsion (  0.391,   2.228,  -1.766)  (  0.391,   2.227,  -1.766)  ( 0.00,  0.02,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-30.394, -15.988,  -6.580)  (-30.393, -15.988,  -6.581)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       ( -7.315,   8.380, -46.059)  ( -7.312,   8.382, -46.046)  ( 0.04,  0.03,  0.03)
185:     bond    ( -4.168,  14.030, -42.962)  ( -4.168,  14.031, -42.950)  ( 0.00,  0.01,  0.03)
185:     angle   ( -2.135,  -0.984,  -0.114)  ( -2.132,  -0.982,  -0.114)  ( 0.13,  0.17,  0.00)
185:     torsion (  0.677,  -4.782,  -1.628)  (  0.677,  -4.782,  -1.628)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.689,   0.115,  -1.355)  ( -1.689,   0.115,  -1.355)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       (  4.958,  25.627,  23.772)  (  5.299,  26.233,  22.406)  ( 6.88,  2.36,  5.74)
185:     bond    (-21.244,  25.105,   5.717)  (-21.230,  25.124,   5.718)  ( 0.06,  0.08,  0.02)
185:     angle   ( 48.589,  35.818,  23.035)  ( 48.594,  35.820,  23.036)  ( 0.01,  0.01,  0.01)
185:     torsion (  0.668,   0.795,  -1.016)  (  0.668,   0.796,  -1.015)  ( 0.00,  0.01,  0.08)
185:     oop     ( -1.540,  -2.789,   6.534)  ( -1.219,  -2.206,   5.165)  (20.84, 20.91, 20.95)
185:     vdw     (-21.515, -33.302, -10.497)  (-21.514, -33.301, -10.497)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (334.388, -338.993, 147.058)  (335.030, -337.932, 144.745)  ( 0.19,  0.31,  1.57)
185:     bond    (245.959, -148.392,  15.324)  (245.992, -148.360,  15.334)  ( 0.01,  0.02,  0.06)
185:     angle   (112.192, -138.270, -14.395)  (112.209, -138.258, -14.391)  ( 0.02,  0.01,  0.03)
185:     torsion (-32.536, -52.538, 128.814)  (-32.536, -52.537, 128.821)  ( 0.00,  0.00,  0.01)
185:     oop     ( -3.401,  -6.088,  13.818)  ( -2.811,  -5.072,  11.483)  (17.33, 16.68, 16.89)
185:     vdw     ( 12.174,   6.296,   3.499)  ( 12.175,   6.296,   3.499)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       ( -8.811, 126.417, -29.683)  ( -8.901, 126.178, -29.189)  ( 1.03,  0.19,  1.66)
185:     bond    (-53.853,  48.848,  13.498)  (-53.841,  48.858,  13.499)  ( 0.02,  0.02,  0.00)
185:     angle   (  9.070,   9.509,   1.761)  (  9.073,   9.511,   1.763)  ( 0.03,  0.02,  0.07)
185:     torsion ( 11.812,  29.617, -60.086)  ( 11.812,  29.617, -60.084)  ( 0.00,  0.00,  0.00)
185:     oop     (  0.707,   1.694,  -3.314)  (  0.601,   1.442,  -2.824)  ( 7.48, 14.87, 14.78)
185:     vdw     ( 23.453,  36.748,  18.458)  ( 23.454,  36.749,  18.458)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-1129.448, 408.109, 803.258)  (-1125.406, 411.794, 805.177)  ( 0.36,  0.90,  0.24)
185:     bond    (-103.997, -219.107, -21.476)  (-103.967, -219.084, -21.459)  ( 0.03,  0.01,  0.08)
185:     angle   (-985.550, 675.773, 895.974)  (-985.487, 675.798, 896.010)  ( 0.01,  0.00,  0.00)
185:     torsion (-26.441, -47.964, -67.461)  (-26.439, -47.965, -67.460)  ( 0.01,  0.00,  0.00)
185:     oop     (-14.976, -16.611, -10.251)  (-11.030, -12.972,  -8.386)  (26.35, 21.91, 18.19)
185:     vdw     (  1.516,  16.018,   6.470)  (  1.516,  16.018,   6.470)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (  8.029, -76.726, 190.394)  (  9.000, -73.463, 192.664)  (12.09,  4.25,  1.19)
185:     bond    ( 15.804,  -6.508, 213.853)  ( 15.823,  -6.489, 213.880)  ( 0.12,  0.29,  0.01)
185:     angle   (  9.137, -63.701,  54.991)  (  9.152, -63.687,  55.003)  ( 0.17,  0.02,  0.02)
185:     torsion (-28.028, -14.619, -75.931)  (-28.027, -14.619, -75.931)  ( 0.00,  0.00,  0.00)
185:     oop     ( -2.980,  -7.720,  -5.117)  ( -2.045,  -4.489,  -2.888)  (31.36, 41.85, 43.56)
185:     vdw     ( 14.096,  15.821,   2.599)  ( 14.097,  15.821,   2.599)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (544.685, -647.845, 1144.815)  (544.894, -657.097, 1142.418)  ( 0.04,  1.43,  0.21)
185:     bond    (-40.591, 144.077, -20.199)  (-40.554, 144.089, -20.173)  ( 0.09,  0.01,  0.13)
185:     angle   (535.295, -1038.003, 1214.776)  (535.321, -1037.947, 1214.846)  ( 0.00,  0.01,  0.01)
185:     torsion ( 63.501, 230.066, -53.972)  ( 63.502, 230.066, -53.971)  ( 0.00,  0.00,  0.00)
185:     oop     ( -7.658,   9.010,   0.631)  ( -7.513,  -0.311,  -1.864)  ( 1.89, 103.45, 157.50)
185:     vdw     ( -5.862,   7.006,   3.579)  ( -5.862,   7.006,   3.579)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-25.017, -39.696, -27.520)  (-25.013, -39.690, -27.509)  ( 0.02,  0.01,  0.04)
185:     bond    ( -6.707, -23.865, -40.222)  ( -6.707, -23.862, -40.212)  ( 0.00,  0.01,  0.02)
185:     angle   (-28.615, -11.370,  11.517)  (-28.612, -11.367,  11.518)  ( 0.01,  0.02,  0.01)
185:     torsion ( -9.304, -13.104,   9.328)  ( -9.303, -13.104,   9.328)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 19.609,   8.643,  -8.142)  ( 19.610,   8.643,  -8.142)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       ( 14.290, -30.906,   7.031)  ( 14.305, -30.891,   7.038)  ( 0.10,  0.05,  0.10)
185:     bond    ( 22.217, -114.854,  49.575)  ( 22.229, -114.844,  49.577)  ( 0.05,  0.01,  0.01)
185:     angle   (-20.686,  71.228, -58.832)  (-20.684,  71.233, -58.828)  ( 0.01,  0.01,  0.01)
185:     torsion ( 13.827,   0.411,  30.482)  ( 13.827,   0.411,  30.482)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.068,  12.309, -14.194)  ( -1.067,  12.309, -14.194)  ( 0.06,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (450.743, 515.255, -2323.120)  (436.192, 499.530, -2328.636)  ( 3.23,  3.05,  0.24)
185:     bond    ( 50.241,  79.598, -257.048)  ( 50.261,  79.608, -256.999)  ( 0.04,  0.01,  0.02)
185:     angle   (369.051, 422.919, -2133.459)  (369.088, 422.948, -2133.288)  ( 0.01,  0.01,  0.01)
185:     torsion ( 28.006, -43.443,  37.340)  ( 28.009, -43.441,  37.342)  ( 0.01,  0.00,  0.00)
185:     oop     ( 50.745,  61.195,  23.986)  ( 36.133,  45.430,  18.249)  (28.80, 25.76, 23.92)
185:     vdw     (-47.301,  -5.015,   6.060)  (-47.300,  -5.015,   6.061)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( 51.105,  27.669,  35.997)  ( 51.110,  27.681,  36.000)  ( 0.01,  0.05,  0.01)
185:     bond    (  1.170,  30.496,   9.172)  (  1.170,  30.509,   9.173)  ( 0.01,  0.04,  0.01)
185:     angle   ( 49.658,  -2.031,   0.416)  ( 49.663,  -2.031,   0.418)  ( 0.01,  0.01,  0.09)
185:     torsion (  2.337,  -6.343,  20.800)  (  2.338,  -6.343,  20.800)  ( 0.02,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -2.061,   5.547,   5.609)  ( -2.060,   5.547,   5.609)  ( 0.02,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       ( 17.575,  15.812,  76.004)  ( 27.725,  27.937,  79.728)  (57.75, 76.69,  4.90)
185:     bond    (-11.511,  -7.156,  55.081)  (-11.510,  -7.156,  55.112)  ( 0.01,  0.00,  0.06)
185:     angle   ( 72.532,  34.099,  19.577)  ( 72.536,  34.101,  19.577)  ( 0.01,  0.01,  0.00)
185:     torsion ( -1.053,  22.384,   2.687)  ( -1.052,  22.384,   2.687)  ( 0.08,  0.00,  0.00)
185:     oop     (-25.920, -32.157,  -9.588)  (-15.777, -20.034,  -5.896)  (39.13, 37.70, 38.51)
185:     vdw     (-16.473,  -1.358,   8.248)  (-16.473,  -1.358,   8.248)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-124.436, 149.496, -73.657)  (-124.401, 149.529, -73.624)  ( 0.03,  0.02,  0.05)
185:     bond    (-54.298,  27.135, -21.123)  (-54.277,  27.153, -21.103)  ( 0.04,  0.07,  0.09)
185:     angle   (-55.131,  89.961, -34.878)  (-55.117,  89.975, -34.865)  ( 0.03,  0.02,  0.04)
185:     torsion (-16.136,  28.776, -14.773)  (-16.135,  28.777, -14.772)  ( 0.01,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.128,   3.624,  -2.884)  (  1.128,   3.624,  -2.884)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (-116.990, -319.865, -110.155)  (-116.611, -313.758, -110.031)  ( 0.32,  1.91,  0.11)
185:     bond    (-13.024, -77.021, -88.008)  (-12.998, -77.001, -87.986)  ( 0.20,  0.03,  0.02)
185:     angle   (-117.161, -96.461, -91.911)  (-117.145, -96.444, -91.894)  ( 0.01,  0.02,  0.02)
185:     torsion ( 15.485, -125.268,  65.785)  ( 15.484, -125.267,  65.785)  ( 0.00,  0.00,  0.00)
185:     oop     ( -3.885, -13.509,   2.412)  ( -3.548,  -7.439,   2.497)  ( 8.67, 44.93,  3.51)
185:     vdw     (  1.595,  -7.606,   1.567)  (  1.595,  -7.606,   1.567)  ( 0.04,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (  3.054, -23.873,   4.399)  (  3.084, -23.844,   4.428)  ( 0.96,  0.12,  0.68)
185:     bond    (-38.663,  58.600,  73.249)  (-38.645,  58.618,  73.268)  ( 0.05,  0.03,  0.03)
185:     angle   ( 39.290, -91.035, -16.476)  ( 39.300, -91.026, -16.467)  ( 0.02,  0.01,  0.06)
185:     torsion (-13.830,   1.214,  -8.197)  (-13.828,   1.216,  -8.196)  ( 0.01,  0.09,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 16.257,   7.348, -44.177)  ( 16.257,   7.348, -44.176)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       ( 24.770, -40.809,  19.275)  ( 24.799, -40.780,  19.305)  ( 0.12,  0.07,  0.15)
185:     bond    (-65.790, -42.791, -42.397)  (-65.771, -42.772, -42.379)  ( 0.03,  0.04,  0.04)
185:     angle   ( 59.888,   6.868,  55.833)  ( 59.898,   6.877,  55.842)  ( 0.02,  0.13,  0.02)
185:     torsion ( 14.868, -26.408,   5.091)  ( 14.869, -26.407,   5.093)  ( 0.00,  0.00,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 15.803,  21.522,   0.748)  ( 15.803,  21.523,   0.748)  ( 0.00,  0.00,  0.02)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (175.072, 307.178, 222.264)  (171.760, 306.584, 225.028)  ( 1.89,  0.19,  1.24)
185:     bond    (-18.691,  91.685,  -4.967)  (-18.677,  91.723,  -4.945)  ( 0.08,  0.04,  0.46)
185:     angle   (177.843, 227.696, 192.642)  (177.853, 227.714, 192.653)  ( 0.01,  0.01,  0.01)
185:     torsion ( 15.791,   8.817,  10.030)  ( 15.789,   8.817,  10.029)  ( 0.01,  0.00,  0.01)
185:     oop     ( 18.033,   3.483, -15.083)  ( 14.697,   2.832, -12.352)  (18.50, 18.67, 18.10)
185:     vdw     (-17.903, -24.503,  39.642)  (-17.902, -24.502,  39.643)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (  1.947,  34.327,  35.635)  (  1.953,  34.333,  35.647)  ( 0.28,  0.02,  0.03)
185:     bond    ( -1.983,  13.556,  23.274)  ( -1.983,  13.560,  23.284)  ( 0.00,  0.03,  0.04)
185:     angle   ( 23.714,  18.764,  -8.910)  ( 23.718,  18.767,  -8.909)  ( 0.02,  0.01,  0.01)
185:     torsion (-41.237,  -3.500,  -1.473)  (-41.237,  -3.500,  -1.473)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 21.453,   5.506,  22.745)  ( 21.455,   5.507,  22.745)  ( 0.01,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (-95.827, -365.974, -154.353)  (-95.148, -365.799, -154.908)  ( 0.71,  0.05,  0.36)
185:     bond    ( -0.397, -74.774, -11.245)  ( -0.385, -74.751, -11.230)  ( 0.50,  0.03,  0.13)
185:     angle   (-97.730, -272.875, -154.775)  (-97.726, -272.862, -154.770)  ( 0.00,  0.00,  0.00)
185:     torsion ( -1.280,  -0.075,   1.110)  ( -1.279,  -0.075,   1.111)  ( 0.04,  0.00,  0.03)
185:     oop     ( -5.427,  -1.063,   4.722)  ( -4.765,  -0.925,   4.146)  (12.21, 12.95, 12.20)
185:     vdw     (  9.007, -17.186,   5.835)  (  9.007, -17.185,   5.835)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       ( 19.888, -34.478,  16.641)  ( 19.895, -34.471,  16.646)  ( 0.04,  0.02,  0.03)
185:     bond    ( 24.111, -23.901,  16.691)  ( 24.116, -23.896,  16.693)  ( 0.02,  0.02,  0.02)
185:     angle   (-12.220, -17.328,  -7.151)  (-12.218, -17.326,  -7.150)  ( 0.01,  0.01,  0.02)
185:     torsion ( -0.732,   0.033,   1.104)  ( -0.732,   0.033,   1.104)  ( 0.01,  0.00,  0.04)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  8.729,   6.718,   5.998)  (  8.729,   6.718,   5.998)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       ( 10.450,  21.570, -36.828)  ( 10.456,  21.576, -36.821)  ( 0.06,  0.03,  0.02)
185:     bond    ( 19.250,  20.288, -23.061)  ( 19.254,  20.292, -23.056)  ( 0.02,  0.02,  0.02)
185:     angle   (-17.588,  -6.430, -20.346)  (-17.587,  -6.429, -20.345)  ( 0.01,  0.02,  0.01)
185:     torsion (  0.083,  -0.103,  -0.020)  (  0.084,  -0.103,  -0.020)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  8.706,   7.816,   6.600)  (  8.706,   7.816,   6.600)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (-28.753,  26.112,  20.990)  (-28.749,  26.119,  20.998)  ( 0.02,  0.03,  0.04)
185:     bond    (-13.126,  21.965,  25.899)  (-13.124,  21.970,  25.906)  ( 0.01,  0.02,  0.03)
185:     angle   (-26.990,  -6.648,  -8.036)  (-26.987,  -6.647,  -8.035)  ( 0.01,  0.02,  0.01)
185:     torsion ( -0.164,   1.531,  -1.382)  ( -0.164,   1.531,  -1.382)  ( 0.00,  0.02,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 11.526,   9.265,   4.509)  ( 11.526,   9.265,   4.509)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       ( 20.537, -29.022,  23.780)  ( 20.545, -29.015,  23.784)  ( 0.04,  0.03,  0.02)
185:     bond    ( 24.834, -23.991,  13.351)  ( 24.840, -23.986,  13.352)  ( 0.02,  0.02,  0.01)
185:     angle   ( -6.292,   6.628,  23.610)  ( -6.291,   6.629,  23.612)  ( 0.02,  0.02,  0.01)
185:     torsion ( -6.259,  -5.825,   1.181)  ( -6.259,  -5.824,   1.181)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  8.254,  -5.834, -14.362)  (  8.254,  -5.834, -14.362)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       (-43.374,  -6.951, -15.471)  (-43.366,  -6.946, -15.466)  ( 0.02,  0.08,  0.03)
185:     bond    (-26.465, -20.050, -18.073)  (-26.458, -20.046, -18.070)  ( 0.03,  0.02,  0.02)
185:     angle   (-22.465,  13.906,  17.462)  (-22.463,  13.907,  17.463)  ( 0.01,  0.01,  0.01)
185:     torsion ( -1.086,   6.316,  -5.417)  ( -1.086,   6.316,  -5.417)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.642,  -7.123,  -9.443)  (  6.642,  -7.123,  -9.443)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 15.948,  34.448, -19.332)  ( 15.953,  34.454, -19.324)  ( 0.03,  0.02,  0.04)
185:     bond    ( 16.798,  19.680, -23.891)  ( 16.801,  19.684, -23.884)  ( 0.02,  0.02,  0.03)
185:     angle   (-10.822,  23.211,  11.518)  (-10.821,  23.214,  11.520)  ( 0.01,  0.01,  0.01)
185:     torsion (  5.216,  -0.584,   3.188)  (  5.217,  -0.584,   3.188)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  4.757,  -7.860, -10.148)  (  4.757,  -7.860, -10.147)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (163.604, 126.954, 197.382)  (163.610, 126.977, 197.389)  ( 0.00,  0.02,  0.00)
185:     bond    (-17.713,  74.435,  -9.634)  (-17.711,  74.458,  -9.633)  ( 0.01,  0.03,  0.01)
185:     angle   (116.974,  46.100, 141.246)  (116.977,  46.100, 141.250)  ( 0.00,  0.00,  0.00)
185:     torsion (  6.965,   0.874,  -6.054)  (  6.965,   0.874,  -6.054)  ( 0.01,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 57.378,   5.546,  71.824)  ( 57.379,   5.546,  71.826)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-145.350,  50.635, -141.965)  (-143.708,  50.990, -143.276)  ( 1.13,  0.70,  0.92)
185:     bond    (  1.016,   4.265,   2.313)  (  1.017,   4.290,   2.320)  ( 0.14,  0.59,  0.32)
185:     angle   (-79.797,  65.627, -86.381)  (-79.793,  65.629, -86.377)  ( 0.00,  0.00,  0.00)
185:     torsion ( -5.607,  -1.263,   4.795)  ( -5.607,  -1.263,   4.794)  ( 0.01,  0.00,  0.01)
185:     oop     ( -7.179,  -1.487,   5.896)  ( -5.542,  -1.159,   4.573)  (22.81, 22.04, 22.44)
185:     vdw     (-53.784, -16.507, -68.588)  (-53.783, -16.507, -68.586)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 32 # gradients 
185: ok 33 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       ( 58.134, -10.875,  -0.081)  ( 58.181, -10.849,  -0.045)  ( 0.08,  0.25,  0.29)
185:     bond    ( 73.768, -13.768,   0.023)  ( 73.796, -13.759,   0.044)  ( 0.04,  0.07,  0.05)
185:     angle   ( 49.990,  -9.420,  -0.117)  ( 50.007,  -9.416,  -0.108)  ( 0.03,  0.05,  0.11)
185:     torsion (  0.011,   0.023,  -0.030)  (  0.011,   0.036,  -0.024)  ( 0.00,  0.03,  0.02)
185:     oop     (  0.000,   0.002,  -0.002)  (  0.000,   0.002,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (-65.635,  12.288,   0.045)  (-65.634,  12.288,   0.045)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       ( 17.936,  -8.798,  14.818)  ( 17.982,  -8.750,  14.845)  ( 0.26,  0.55,  0.18)
185:     bond    ( 92.410, -51.103, -50.286)  ( 92.439, -51.094, -50.266)  ( 0.03,  0.02,  0.04)
185:     angle   (-30.881,  18.740,  19.424)  (-30.868,  18.746,  19.435)  ( 0.04,  0.03,  0.06)
185:     torsion ( -1.948, -10.270,   6.861)  ( -1.947, -10.256,   6.867)  ( 0.03,  0.13,  0.09)
185:     oop     ( -0.022,  -0.118,   0.078)  ( -0.019,  -0.099,   0.066)  ( 0.01,  0.23,  0.10)
185:     vdw     (-41.623,  33.953,  38.741)  (-41.622,  33.954,  38.742)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       ( 15.352,  -1.265, -23.223)  ( 15.386,  -1.280, -23.156)  ( 0.22,  1.16,  0.29)
185:     bond    ( 13.918, -47.527, -68.607)  ( 13.946, -47.517, -68.587)  ( 0.20,  0.02,  0.03)
185:     angle   (-38.335,   4.459,  -1.411)  (-38.321,   4.465,  -1.400)  ( 0.04,  0.13,  0.81)
185:     torsion (  2.965,  11.890,  -8.461)  (  2.966,  11.904,  -8.455)  ( 0.02,  0.11,  0.07)
185:     oop     (  0.050,   0.265,  -0.177)  (  0.041,   0.221,  -0.147)  ( 0.04,  1.17,  0.53)
185:     vdw     ( 36.754,  29.647,  55.432)  ( 36.754,  29.648,  55.433)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       (-40.712,   7.792,   0.007)  (-40.667,   7.823,   0.043)  ( 0.11,  0.40,  0.03)
185:     bond    (-109.736,  20.629,   0.231)  (-109.709,  20.639,   0.252)  ( 0.02,  0.05,  0.48)
185:     angle   ( 17.485,  -3.318,  -0.068)  ( 17.501,  -3.312,  -0.059)  ( 0.09,  0.20,  0.06)
185:     torsion ( -0.039,   0.145,  -0.122)  ( -0.038,   0.157,  -0.115)  ( 0.00,  0.17,  0.08)
185:     oop     ( -0.002,  -0.010,   0.005)  ( -0.001,  -0.008,   0.005)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 51.579,  -9.654,  -0.040)  ( 51.581,  -9.653,  -0.039)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       ( 14.400,  -3.793,  22.280)  ( 14.450,  -3.723,  22.291)  ( 0.34,  1.86,  0.05)
185:     bond    ( 29.904,  39.139,  68.212)  ( 29.932,  39.148,  68.232)  ( 0.09,  0.02,  0.03)
185:     angle   (-37.521,   9.674,   1.433)  (-37.508,   9.680,   1.444)  ( 0.03,  0.07,  0.80)
185:     torsion ( -1.400, -11.441,   7.947)  ( -1.399, -11.427,   7.953)  ( 0.03,  0.12,  0.08)
185:     oop     ( -0.045,  -0.241,   0.160)  ( -0.037,  -0.200,   0.133)  ( 0.03,  0.98,  0.42)
185:     vdw     ( 23.462, -40.924, -55.472)  ( 23.462, -40.924, -55.471)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 20.073,   0.769, -14.669)  ( 20.113,   0.780, -14.618)  ( 0.20,  0.86,  0.34)
185:     bond    (104.923,  13.970,  49.896)  (104.952,  13.980,  49.916)  ( 0.03,  0.07,  0.04)
185:     angle   (-35.503,  -6.310, -19.372)  (-35.489,  -6.305, -19.361)  ( 0.04,  0.08,  0.06)
185:     torsion (  1.762,   9.580,  -6.418)  (  1.763,   9.594,  -6.412)  ( 0.02,  0.14,  0.09)
185:     oop     (  0.020,   0.108,  -0.072)  (  0.017,   0.091,  -0.061)  ( 0.01,  0.18,  0.08)
185:     vdw     (-51.130, -16.580, -38.702)  (-51.129, -16.579, -38.701)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       ( 35.266,  -6.336,  -0.207)  ( 35.310,  -6.298,  -0.180)  ( 0.12,  0.59,  0.57)
185:     bond    ( 27.589,  -4.880,  -0.212)  ( 27.616,  -4.858,  -0.203)  ( 0.10,  0.44,  0.17)
185:     angle   ( 11.180,  -2.101,   0.012)  ( 11.195,  -2.091,   0.018)  ( 0.14,  0.46,  0.01)
185:     torsion ( -0.002,  -0.016,   0.003)  ( -0.002,  -0.011,   0.015)  ( 0.00,  0.01,  0.00)
185:     oop     (  0.000,  -0.000,  -0.001)  (  0.000,   0.000,  -0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.501,   0.661,  -0.010)  ( -3.500,   0.662,  -0.009)  ( 0.04,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (-67.073,  -4.316,  14.211)  (-67.033,  -4.278,  14.239)  ( 0.06,  0.89,  0.20)
185:     bond    (-28.824, -42.695,  28.615)  (-28.796, -42.676,  28.622)  ( 0.10,  0.04,  0.03)
185:     angle   ( -8.910, -51.456,  31.603)  ( -8.899, -51.445,  31.607)  ( 0.12,  0.02,  0.01)
185:     torsion (  0.402,   2.129,   3.572)  (  0.402,   2.134,   3.587)  ( 0.01,  0.25,  0.41)
185:     oop     ( -0.001,  -0.006,  -0.010)  ( -0.001,  -0.005,  -0.008)  ( 0.00,  0.00,  0.00)
185:     vdw     (-29.740,  87.712, -49.570)  (-29.740,  87.714, -49.569)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (252.726, 124.577, -102.566)  (252.769, 124.618, -102.539)  ( 0.02,  0.03,  0.03)
185:     bond    ( -4.102,  -5.208,   3.529)  ( -4.072,  -5.183,   3.537)  ( 0.72,  0.48,  0.24)
185:     angle   (190.866,  62.770, -58.735)  (190.879,  62.781, -58.731)  ( 0.01,  0.02,  0.01)
185:     torsion ( -0.008,  -0.046,  -0.082)  ( -0.008,  -0.041,  -0.069)  ( 0.00,  0.02,  0.11)
185:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 65.970,  67.061, -47.275)  ( 65.971,  67.062, -47.275)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-228.789,  42.830,   0.196)  (-228.758,  42.865,   0.217)  ( 0.01,  0.08,  0.40)
185:     bond    (-23.988,   4.534,  -0.038)  (-23.972,   4.563,  -0.027)  ( 0.07,  0.64,  0.04)
185:     angle   (-243.722,  45.545,   0.214)  (-243.707,  45.548,   0.216)  ( 0.01,  0.01,  0.03)
185:     torsion (  0.006,   0.031,   0.048)  (  0.006,   0.034,   0.056)  ( 0.00,  0.01,  0.04)
185:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.002)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 38.914,  -7.281,  -0.030)  ( 38.915,  -7.281,  -0.030)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (190.044, -207.691, 102.032)  (190.089, -207.650, 102.060)  ( 0.02,  0.02,  0.03)
185:     bond    ( -2.495,   6.201,  -3.435)  ( -2.461,   6.222,  -3.426)  ( 1.33,  0.34,  0.25)
185:     angle   (155.225, -127.437,  58.396)  (155.236, -127.424,  58.400)  ( 0.01,  0.01,  0.01)
185:     torsion ( -0.012,  -0.067,  -0.118)  ( -0.012,  -0.062,  -0.105)  ( 0.00,  0.03,  0.15)
185:     oop     ( -0.001,  -0.004,  -0.006)  ( -0.001,  -0.003,  -0.005)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 37.327, -86.385,  47.195)  ( 37.327, -86.383,  47.195)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-60.187,  27.700, -13.820)  (-60.146,  27.735, -13.795)  ( 0.07,  0.13,  0.18)
185:     bond    (-10.799,  49.795, -28.441)  (-10.771,  49.815, -28.434)  ( 0.25,  0.04,  0.03)
185:     angle   ( 10.364,  51.026, -31.537)  ( 10.376,  51.036, -31.533)  ( 0.12,  0.02,  0.01)
185:     torsion ( -0.390,  -2.077,  -3.496)  ( -0.390,  -2.071,  -3.481)  ( 0.01,  0.25,  0.42)
185:     oop     (  0.002,   0.008,   0.013)  (  0.001,   0.007,   0.011)  ( 0.00,  0.00,  0.00)
185:     vdw     (-59.364, -71.052,  49.642)  (-59.362, -71.051,  49.643)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       ( -0.582,   7.403,  -4.825)  ( -0.574,   7.413,  -4.817)  ( 0.48,  0.13,  0.17)
185:     bond    (  6.712,   7.382,  -5.157)  (  6.717,   7.388,  -5.154)  ( 0.08,  0.09,  0.06)
185:     angle   ( -8.182,   5.707,  -2.478)  ( -8.180,   5.708,  -2.478)  ( 0.03,  0.02,  0.01)
185:     torsion ( -0.038,  -0.202,  -0.342)  ( -0.038,  -0.201,  -0.338)  ( 0.00,  0.03,  0.13)
185:     oop     ( -0.001,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.927,  -5.481,   3.157)  (  0.927,  -5.481,   3.157)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (-56.958,  -6.366,  10.362)  (-56.952,  -6.354,  10.368)  ( 0.01,  0.18,  0.06)
185:     bond    ( -5.954,  11.782,  -6.350)  ( -5.952,  11.792,  -6.347)  ( 0.04,  0.08,  0.05)
185:     angle   (-53.718, -18.080,  16.780)  (-53.714, -18.080,  16.780)  ( 0.01,  0.00,  0.00)
185:     torsion (  0.017,   0.088,   0.147)  (  0.017,   0.089,   0.150)  ( 0.00,  0.01,  0.04)
185:     oop     (  0.000,   0.000,   0.001)  (  0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.697,  -0.156,  -0.215)  (  2.697,  -0.156,  -0.215)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( -9.625, -15.532, -18.122)  ( -9.591, -15.488, -18.101)  ( 0.34,  0.28,  0.12)
185:     bond    (-59.579, -42.061, -79.510)  (-59.561, -42.043, -79.491)  ( 0.03,  0.04,  0.02)
185:     angle   ( 48.208,  11.512,  31.711)  ( 48.218,  11.520,  31.720)  ( 0.02,  0.07,  0.03)
185:     torsion ( -3.549,  -1.214,   3.285)  ( -3.548,  -1.211,   3.286)  ( 0.03,  0.28,  0.05)
185:     oop     ( -0.015,  -0.082,   0.055)  ( -0.013,  -0.068,   0.045)  ( 0.00,  0.12,  0.05)
185:     vdw     (  5.311,  16.313,  26.338)  (  5.312,  16.313,  26.338)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-58.385,  10.937,   0.090)  (-58.367,  10.941,   0.094)  ( 0.03,  0.04,  0.04)
185:     bond    (-50.199,   9.397,   0.031)  (-50.181,   9.397,   0.030)  ( 0.04,  0.00,  0.00)
185:     angle   (  0.005,   0.027,   0.040)  (  0.005,   0.028,   0.044)  ( 0.00,  0.00,  0.01)
185:     torsion ( -0.003,  -0.020,   0.011)  ( -0.003,  -0.018,   0.012)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.188,   1.535,   0.008)  ( -8.188,   1.535,   0.008)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-49.770,  31.442,  33.871)  (-49.762,  31.448,  33.884)  ( 0.02,  0.02,  0.04)
185:     bond    (-19.987,  26.705,  34.335)  (-19.984,  26.711,  34.344)  ( 0.02,  0.02,  0.03)
185:     angle   (  8.426,   1.110,   4.041)  (  8.430,   1.110,   4.042)  ( 0.05,  0.01,  0.02)
185:     torsion ( -0.173,  -0.918,   0.610)  ( -0.173,  -0.915,   0.611)  ( 0.00,  0.20,  0.06)
185:     oop     (  0.002,   0.010,  -0.007)  (  0.002,   0.009,  -0.006)  ( 0.00,  0.00,  0.00)
185:     vdw     (-38.038,   4.533,  -5.108)  (-38.037,   4.533,  -5.107)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       ( -3.379,  17.606,  18.634)  ( -3.351,  17.623,  18.673)  ( 0.84,  0.10,  0.21)
185:     bond    (-40.343,  60.834,  79.794)  (-40.326,  60.853,  79.813)  ( 0.04,  0.03,  0.02)
185:     angle   ( 40.876, -28.301, -31.675)  ( 40.887, -28.294, -31.666)  ( 0.03,  0.03,  0.03)
185:     torsion ( -2.934,   2.121,  -3.092)  ( -2.933,   2.124,  -3.090)  ( 0.05,  0.15,  0.05)
185:     oop     (  0.014,   0.074,  -0.049)  (  0.011,   0.061,  -0.041)  ( 0.00,  0.09,  0.04)
185:     vdw     ( -0.992, -17.122, -26.344)  ( -0.991, -17.122, -26.343)  ( 0.08,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       (-57.727, -11.202, -33.706)  (-57.717, -11.194, -33.695)  ( 0.02,  0.07,  0.03)
185:     bond    (-28.238, -17.597, -34.196)  (-28.231, -17.594, -34.186)  ( 0.02,  0.01,  0.03)
185:     angle   (  7.423,  -4.071,  -4.039)  (  7.426,  -4.070,  -4.038)  ( 0.04,  0.02,  0.02)
185:     torsion (  0.171,   0.926,  -0.620)  (  0.171,   0.928,  -0.619)  ( 0.00,  0.21,  0.06)
185:     oop     ( -0.002,  -0.011,   0.007)  ( -0.002,  -0.009,   0.006)  ( 0.00,  0.00,  0.00)
185:     vdw     (-37.082,   9.551,   5.142)  (-37.081,   9.551,   5.142)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       ( -3.086,  -6.733,   4.771)  ( -3.080,  -6.722,   4.778)  ( 0.18,  0.17,  0.14)
185:     bond    (  3.610,  -9.358,   5.158)  (  3.612,  -9.348,   5.162)  ( 0.04,  0.11,  0.06)
185:     angle   ( -9.573,  -2.338,   2.462)  ( -9.570,  -2.338,   2.462)  ( 0.04,  0.01,  0.01)
185:     torsion (  0.035,   0.184,   0.307)  (  0.035,   0.185,   0.311)  ( 0.00,  0.02,  0.12)
185:     oop     (  0.000,   0.002,   0.004)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.842,   4.777,  -3.160)  (  2.842,   4.777,  -3.160)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (-50.786,  26.653, -10.315)  (-50.777,  26.662, -10.309)  ( 0.02,  0.03,  0.06)
185:     bond    ( -9.730,  -8.776,   6.304)  ( -9.723,  -8.770,   6.307)  ( 0.07,  0.06,  0.05)
185:     angle   (-43.615,  36.322, -16.724)  (-43.613,  36.324, -16.723)  ( 0.01,  0.01,  0.00)
185:     torsion ( -0.012,  -0.064,  -0.108)  ( -0.012,  -0.063,  -0.105)  ( 0.00,  0.01,  0.03)
185:     oop     (  0.000,   0.001,   0.002)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
185:     vdw     (  2.571,  -0.830,   0.211)  (  2.571,  -0.830,   0.211)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       ( 18.552, -36.973,  15.506)  ( 18.557, -36.964,  15.511)  ( 0.03,  0.02,  0.04)
185:     bond    ( 19.795, -29.611,  20.399)  ( 19.798, -29.604,  20.402)  ( 0.02,  0.02,  0.02)
185:     angle   (  2.872,  -9.105, -16.001)  (  2.874,  -9.104, -15.999)  ( 0.06,  0.02,  0.01)
185:     torsion ( -4.473,  -0.508,   3.603)  ( -4.472,  -0.508,   3.603)  ( 0.01,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.357,   2.251,   7.504)  (  0.357,   2.251,   7.504)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       ( 36.577,  15.060, -24.810)  ( 36.584,  15.067, -24.806)  ( 0.02,  0.05,  0.02)
185:     bond    ( 27.162,  26.884, -15.139)  ( 27.168,  26.890, -15.137)  ( 0.02,  0.02,  0.01)
185:     angle   (  2.427,  -9.455, -12.439)  (  2.428,  -9.453, -12.436)  ( 0.05,  0.01,  0.02)
185:     torsion (  6.153,  -6.780,  -0.999)  (  6.153,  -6.779,  -0.999)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.835,   4.410,   3.766)  (  0.835,   4.410,   3.766)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-11.279,  28.142,  28.721)  (-11.271,  28.148,  28.729)  ( 0.06,  0.02,  0.03)
185:     bond    (-22.714,  19.690,  26.873)  (-22.710,  19.693,  26.879)  ( 0.02,  0.02,  0.02)
185:     angle   (-25.556,  -5.794, -17.347)  (-25.554,  -5.793, -17.346)  ( 0.01,  0.03,  0.01)
185:     torsion (  0.856,   6.699,  -4.185)  (  0.856,   6.700,  -4.185)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 36.135,   7.547,  23.381)  ( 36.136,   7.547,  23.381)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       ( 30.867,  27.740, -15.486)  ( 30.875,  27.745, -15.480)  ( 0.03,  0.02,  0.04)
185:     bond    ( 29.150,  20.548, -20.555)  ( 29.157,  20.551, -20.551)  ( 0.02,  0.02,  0.02)
185:     angle   (  5.951,   7.443,  15.888)  (  5.952,   7.445,  15.890)  ( 0.02,  0.03,  0.01)
185:     torsion ( -3.753,   1.953,  -3.371)  ( -3.753,   1.953,  -3.371)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.482,  -2.204,  -7.448)  ( -0.482,  -2.204,  -7.448)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (-20.778, -21.871, -28.929)  (-20.769, -21.868, -28.921)  ( 0.04,  0.02,  0.03)
185:     bond    (-28.443, -10.256, -26.879)  (-28.436, -10.256, -26.873)  ( 0.02,  0.01,  0.02)
185:     angle   (-21.731,  14.745,  17.364)  (-21.729,  14.747,  17.365)  ( 0.01,  0.01,  0.01)
185:     torsion ( -1.517,  -6.225,   3.980)  ( -1.517,  -6.224,   3.980)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 30.913, -20.135, -23.394)  ( 30.913, -20.135, -23.394)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       ( 28.514, -27.461,  24.727)  ( 28.519, -27.450,  24.731)  ( 0.01,  0.04,  0.02)
185:     bond    ( 15.752, -34.951,  15.142)  ( 15.753, -34.941,  15.143)  ( 0.01,  0.03,  0.01)
185:     angle   (  5.736,   7.985,  12.454)  (  5.737,   7.985,  12.456)  ( 0.03,  0.01,  0.02)
185:     torsion (  7.864,   3.952,   0.936)  (  7.865,   3.952,   0.936)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.837,  -4.447,  -3.804)  ( -0.837,  -4.446,  -3.804)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 34 # gradients 
185: ok 35 # energy 
185: 
185: V A L I D A T E   G R A D I E N T S
185: 
185: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
185: ----------------------------------------------------------------------------------------
185:  1       (-90.675, -167.099, -64.344)  (-87.455, -178.051, -63.759)  ( 3.55,  6.55,  0.91)
185:     bond    (-33.270, -17.000, -46.382)  (-33.242, -16.994, -46.354)  ( 0.08,  0.04,  0.06)
185:     angle   (-62.913, -173.302, -32.437)  (-62.903, -173.290, -32.425)  ( 0.02,  0.01,  0.03)
185:     torsion (  6.086, -15.462,   0.527)  (  6.087, -15.461,   0.527)  ( 0.01,  0.01,  0.01)
185:     oop     ( -8.054,  28.772,  -1.032)  ( -4.873,  17.801,  -0.487)  (39.50, 38.13, 52.84)
185:     vdw     (  7.475,   9.893,  14.979)  (  7.476,   9.893,  14.979)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  2       (-103.146,  41.250,  84.469)  (-103.105,  45.401,  84.027)  ( 0.04, 10.06,  0.52)
185:     bond    (-30.404, -27.951, -31.777)  (-30.376, -27.932, -31.758)  ( 0.09,  0.07,  0.06)
185:     angle   (-31.174,  77.031,  52.648)  (-31.161,  77.043,  52.663)  ( 0.04,  0.02,  0.03)
185:     torsion ( -4.894,   4.019,   4.600)  ( -4.893,   4.020,   4.601)  ( 0.02,  0.03,  0.02)
185:     oop     ( -0.033, -10.860,   1.008)  ( -0.033,  -6.741,   0.530)  ( 0.00, 37.93, 47.45)
185:     vdw     (-36.642,  -0.989,  57.990)  (-36.641,  -0.988,  57.991)  ( 0.00,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  3       (-62.268, -66.625,  80.948)  (-60.276, -70.837,  80.021)  ( 3.20,  6.32,  1.15)
185:     bond    ( 20.613,  26.346,  38.389)  ( 20.632,  26.366,  38.415)  ( 0.09,  0.08,  0.07)
185:     angle   (-17.393, -79.455,  -0.302)  (-17.378, -79.443,  -0.289)  ( 0.08,  0.02,  0.39)
185:     torsion ( -4.249,  -5.163,   1.764)  ( -4.248,  -5.162,   1.765)  ( 0.03,  0.03,  0.04)
185:     oop     ( -4.557,  10.144,   2.339)  ( -2.602,   5.897,   1.371)  (42.91, 41.86, 41.37)
185:     vdw     (-56.682, -18.496,  38.758)  (-56.680, -18.496,  38.759)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  4       ( -5.276, 111.452,  24.795)  ( -9.577, 124.457,  23.520)  (81.52, 11.67,  5.14)
185:     bond    (  5.718, -13.679,   1.610)  (  5.745, -13.670,   1.639)  ( 0.49,  0.07,  1.86)
185:     angle   ( -4.728, 149.502,  36.591)  ( -4.717, 149.515,  36.602)  ( 0.23,  0.01,  0.03)
185:     torsion ( -4.261,  13.887,  -0.390)  ( -4.260,  13.888,  -0.390)  ( 0.01,  0.01,  0.01)
185:     oop     ( 10.173, -30.870,   2.958)  (  5.833, -17.888,   1.640)  (42.67, 42.05, 44.54)
185:     vdw     (-12.177,  -7.388, -15.973)  (-12.177,  -7.388, -15.972)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  5       (102.097, -25.297, -59.457)  (102.166, -29.987, -58.713)  ( 0.07, 18.54,  1.25)
185:     bond    ( 25.868,  27.546,  31.723)  ( 25.896,  27.565,  31.742)  ( 0.11,  0.07,  0.06)
185:     angle   ( 24.790, -68.458, -33.211)  ( 24.803, -68.446, -33.196)  ( 0.05,  0.02,  0.05)
185:     torsion (  3.373,  -3.168,  -4.940)  (  3.374,  -3.167,  -4.939)  ( 0.03,  0.04,  0.02)
185:     oop     ( -0.050,  11.256,  -1.573)  ( -0.023,   6.533,  -0.866)  ( 0.14, 41.96, 44.95)
185:     vdw     ( 48.115,   7.528, -51.455)  ( 48.116,   7.528, -51.453)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  6       ( 79.570,  81.165, -78.597)  ( 78.042,  84.901, -77.656)  ( 1.92,  4.60,  1.20)
185:     bond    (-19.273, -25.557, -37.733)  (-19.254, -25.537, -37.706)  ( 0.10,  0.08,  0.07)
185:     angle   ( 29.490,  90.204,  -7.490)  ( 29.505,  90.216,  -7.477)  ( 0.05,  0.01,  0.17)
185:     torsion (  3.940,   6.176,  -2.944)  (  3.941,   6.178,  -2.943)  ( 0.03,  0.02,  0.02)
185:     oop     (  3.919,  -9.828,  -2.445)  (  2.355,  -6.125,  -1.545)  (39.91, 37.67, 36.82)
185:     vdw     ( 61.493,  20.170, -27.985)  ( 61.495,  20.171, -27.985)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  7       (-43.204, -52.831, -65.365)  (-40.815, -56.811, -63.752)  ( 5.53,  7.53,  2.47)
185:     bond    (  0.620,   1.263,   1.049)  (  0.640,   1.284,   1.072)  ( 1.25,  1.69,  2.16)
185:     angle   (-13.478, -60.077, -32.968)  (-13.467, -60.067, -32.957)  ( 0.08,  0.02,  0.03)
185:     torsion ( -0.041,   0.026,   0.006)  ( -0.041,   0.027,   0.006)  ( 0.00,  0.00,  0.00)
185:     oop     ( -5.566,   9.470,  -3.724)  ( -3.208,   5.458,  -2.146)  (42.36, 42.37, 42.38)
185:     vdw     (-24.739,  -3.513, -29.728)  (-24.739,  -3.513, -29.727)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  8       (590.421, -413.338, -453.174)  (588.830, -410.163, -454.033)  ( 0.27,  0.77,  0.19)
185:     bond    (281.609, -267.251, -266.649)  (281.625, -267.221, -266.622)  ( 0.01,  0.01,  0.01)
185:     angle   (301.536, -151.745, -201.468)  (301.544, -151.733, -201.459)  ( 0.00,  0.01,  0.00)
185:     torsion ( -3.751,   8.569,  -5.610)  ( -3.751,   8.569,  -5.608)  ( 0.00,  0.00,  0.03)
185:     oop     (  4.159,  -7.991,   2.085)  (  2.544,  -4.858,   1.187)  (38.83, 39.21, 43.09)
185:     vdw     (  6.867,   5.080,  18.468)  (  6.868,   5.080,  18.469)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:  9       (-252.186,  46.511, 376.531)  (-252.182,  46.516, 376.551)  ( 0.00,  0.01,  0.01)
185:     bond    (-119.597, -128.814, 352.507)  (-119.596, -128.812, 352.526)  ( 0.00,  0.00,  0.01)
185:     angle   (-145.561, 173.633,  14.064)  (-145.558, 173.636,  14.065)  ( 0.00,  0.00,  0.01)
185:     torsion (  3.858,  -1.278,   0.842)  (  3.858,  -1.278,   0.842)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
179:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
179:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
179:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
179:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.114,   2.971,   9.118)  (  9.114,   2.971,   9.118)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 10       (-174.814, 414.517, 106.449)  (-174.811, 414.541, 106.453)  ( 0.00,  0.01,  0.00)
185:     bond    (-38.911, 392.669, -61.048)  (-38.912, 392.692, -61.049)  ( 0.00,  0.01,  0.00)
185:     angle   (-127.613,  12.252, 160.145)  (-127.610,  12.252, 160.149)  ( 0.00,  0.00,  0.00)
185:     torsion ( -2.732,  -0.720,  -2.890)  ( -2.732,  -0.720,  -2.890)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -5.557,  10.317,  10.242)  ( -5.557,  10.317,  10.242)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 11       (-20.966, -20.102,   4.975)  (-20.928, -20.032,   4.860)  ( 0.18,  0.35,  2.30)
185:     bond    (-41.860,  12.275,   5.586)  (-41.836,  12.302,   5.588)  ( 0.06,  0.22,  0.04)
185:     angle   ( 69.839, -39.509, -31.067)  ( 69.854, -39.497, -31.064)  ( 0.02,  0.03,  0.01)
185:     torsion ( -0.189,  -6.630,  19.989)  ( -0.189,  -6.629,  20.004)  ( 0.00,  0.01,  0.08)
185:     oop     (  0.011,  -0.185,   0.813)  (  0.009,  -0.153,   0.679)  ( 0.00,  0.58, 10.96)
185:     vdw     (-48.767,  13.946,   9.654)  (-48.766,  13.946,   9.654)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 12       (-48.581,  -9.470, -19.172)  (-48.539,  -9.460, -19.017)  ( 0.09,  0.10,  0.81)
185:     bond    ( -0.522,  -5.772,  -1.974)  ( -0.494,  -5.746,  -1.972)  ( 1.41,  0.45,  0.11)
185:     angle   ( -0.732,  44.691,  10.937)  ( -0.720,  44.702,  10.937)  ( 0.94,  0.03,  0.01)
185:     torsion ( -0.099,   3.487, -16.209)  ( -0.099,   3.488, -16.189)  ( 0.00,  0.03,  0.12)
185:     oop     ( -0.009,   0.183,  -0.813)  ( -0.008,   0.154,  -0.681)  ( 0.00,  0.55, 10.78)
185:     vdw     (-47.219, -52.059, -11.113)  (-47.218, -52.058, -11.113)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 13       (  9.293, -180.393, -83.284)  (  9.342, -180.430, -82.952)  ( 0.53,  0.02,  0.40)
185:     bond    ( 24.471,  24.991,   4.696)  ( 24.500,  25.014,   4.698)  ( 0.12,  0.09,  0.05)
185:     angle   ( 25.642, -148.454, -38.576)  ( 25.652, -148.439, -38.575)  ( 0.04,  0.01,  0.00)
185:     torsion ( -0.403,   5.757, -21.735)  ( -0.403,   5.759, -21.714)  ( 0.00,  0.02,  0.09)
185:     oop     ( -0.046,   0.462,  -1.801)  ( -0.038,   0.384,  -1.493)  ( 0.04,  3.62, 17.10)
185:     vdw     (-40.370, -63.151, -25.868)  (-40.369, -63.148, -25.869)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 14       (-42.054, 117.304,  95.769)  (-42.015, 117.511,  95.181)  ( 0.09,  0.18,  0.61)
185:     bond    ( 37.481,  29.457,   7.570)  ( 37.518,  29.484,   7.573)  ( 0.10,  0.09,  0.04)
185:     angle   (-87.919, 119.484,  35.823)  (-87.903, 119.502,  35.823)  ( 0.02,  0.02,  0.00)
185:     torsion (  0.037, -18.981,  76.061)  (  0.037, -18.979,  76.080)  ( 0.00,  0.01,  0.03)
185:     oop     (  0.098,  -0.925,   3.573)  (  0.082,  -0.766,   2.961)  ( 0.16, 14.72, 17.12)
185:     vdw     (  8.249, -11.731, -27.257)  (  8.251, -11.730, -27.257)  ( 0.02,  0.01,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 15       ( -1.243,  58.634, -46.276)  ( -1.214,  58.603, -45.898)  ( 2.34,  0.05,  0.82)
185:     bond    (-12.815, -46.771, -13.270)  (-12.788, -46.744, -13.267)  ( 0.21,  0.06,  0.02)
185:     angle   (-11.262,  40.158,  14.208)  (-11.244,  40.172,  14.209)  ( 0.15,  0.04,  0.01)
185:     torsion ( -0.183,  11.511, -45.098)  ( -0.182,  11.513, -45.079)  ( 0.01,  0.02,  0.04)
185:     oop     (  0.104,   0.467,  -2.195)  (  0.086,   0.393,  -1.840)  ( 0.19,  3.49, 16.15)
185:     vdw     ( 22.912,  53.269,   0.079)  ( 22.914,  53.270,   0.079)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 16       (-70.569,  83.859,  43.385)  (-70.528,  83.986,  43.087)  ( 0.06,  0.15,  0.69)
185:     bond    ( 43.014,  -9.899,   0.673)  ( 43.044,  -9.875,   0.676)  ( 0.07,  0.23,  0.16)
185:     angle   (-68.869,  37.289,   8.467)  (-68.859,  37.304,   8.468)  ( 0.01,  0.04,  0.01)
185:     torsion (  0.769,  -2.246,  11.569)  (  0.769,  -2.244,  11.589)  ( 0.00,  0.06,  0.17)
185:     oop     ( -0.003,  -0.515,   1.925)  ( -0.002,  -0.430,   1.604)  ( 0.00,  4.40, 16.70)
185:     vdw     (-45.480,  59.229,  20.751)  (-45.480,  59.232,  20.751)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 17       (-192.991, -395.724, -129.219)  (-192.952, -395.744, -128.985)  ( 0.02,  0.00,  0.18)
185:     bond    (-83.920, -169.485,  -3.556)  (-83.894, -169.461,  -3.554)  ( 0.03,  0.01,  0.05)
185:     angle   (-42.478, -50.466,  12.902)  (-42.472, -50.457,  12.906)  ( 0.01,  0.02,  0.03)
185:     torsion ( -6.887,  -7.603,  23.877)  ( -6.886,  -7.602,  23.883)  ( 0.01,  0.00,  0.02)
185:     oop     ( -0.030,   0.296,  -1.145)  ( -0.024,   0.239,  -0.925)  ( 0.02,  1.68, 19.26)
185:     vdw     (-59.677, -168.466, -161.298)  (-59.676, -168.463, -161.295)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 18       (112.561, 217.395, -31.782)  (112.595, 217.437, -31.748)  ( 0.03,  0.02,  0.11)
185:     bond    (-49.686, 185.503,  41.124)  (-49.667, 185.531,  41.145)  ( 0.04,  0.02,  0.05)
185:     angle   ( 82.350,  40.943, -55.198)  ( 82.361,  40.956, -55.186)  ( 0.01,  0.03,  0.02)
185:     torsion ( 14.356,   1.064, -19.115)  ( 14.358,   1.065, -19.114)  ( 0.01,  0.09,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 65.542, -10.115,   1.408)  ( 65.543, -10.115,   1.408)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 19       ( -7.556, -40.622,  47.751)  ( -7.528, -40.592,  47.780)  ( 0.37,  0.07,  0.06)
185:     bond    (  8.410,  11.000, -20.862)  (  8.429,  11.018, -20.842)  ( 0.22,  0.17,  0.10)
185:     angle   (-22.599, -32.864,  60.998)  (-22.591, -32.855,  61.007)  ( 0.04,  0.03,  0.01)
185:     torsion ( -9.611,  -2.930,  -2.776)  ( -9.609,  -2.929,  -2.775)  ( 0.01,  0.04,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 16.243, -15.827,  10.390)  ( 16.243, -15.827,  10.390)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 20       (  1.672, -290.290,   5.310)  (  1.753, -290.231,   5.260)  ( 4.83,  0.02,  0.95)
185:     bond    ( 48.860, -351.645,  36.679)  ( 48.891, -351.609,  36.683)  ( 0.06,  0.01,  0.01)
185:     angle   ( 22.349, 106.451, -23.941)  ( 22.368, 106.474, -23.939)  ( 0.09,  0.02,  0.01)
185:     torsion (-11.068,   6.550,   9.919)  (-11.065,   6.550,   9.936)  ( 0.03,  0.01,  0.17)
185:     oop     ( -0.208,   0.011,   0.576)  ( -0.182,   0.010,   0.502)  ( 0.55,  0.00,  4.26)
185:     vdw     (-58.262, -51.657, -17.922)  (-58.260, -51.656, -17.922)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 21       (119.256, 619.890,  24.768)  (119.296, 619.932,  24.770)  ( 0.03,  0.01,  0.01)
185:     bond    (128.450, 492.247,  22.211)  (128.464, 492.286,  22.213)  ( 0.01,  0.01,  0.01)
185:     angle   (-17.445,  89.502, -16.170)  (-17.428,  89.506, -16.167)  ( 0.09,  0.00,  0.01)
185:     torsion (-10.722,   1.793,  30.081)  (-10.721,   1.793,  30.093)  ( 0.02,  0.00,  0.04)
185:     oop     (  0.038,   0.000,  -0.106)  (  0.044,  -0.002,  -0.120)  ( 0.02,  0.00,  0.14)
185:     vdw     ( 18.935,  36.347, -11.248)  ( 18.937,  36.348, -11.248)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 22       (-31.149, -65.327,   7.485)  (-31.139, -65.263,   7.617)  ( 0.03,  0.10,  1.77)
185:     bond    (-184.821, -85.790, -66.524)  (-184.791, -85.756, -66.519)  ( 0.02,  0.04,  0.01)
185:     angle   (174.270, -73.330,  73.268)  (174.287, -73.310,  73.269)  ( 0.01,  0.03,  0.00)
185:     torsion ( -3.641,   0.520,   8.689)  ( -3.637,   0.520,   8.711)  ( 0.09,  0.01,  0.25)
185:     oop     (  0.165,  -0.030,  -0.436)  (  0.125,  -0.023,  -0.332)  ( 0.66,  0.02,  4.54)
185:     vdw     (-17.123,  93.304,  -7.512)  (-17.123,  93.307,  -7.512)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 23       (-23.983, -22.539, -15.355)  (-23.974, -22.473, -15.214)  ( 0.04,  0.29,  0.92)
185:     bond    (107.750, -252.321,  56.463)  (107.775, -252.281,  56.468)  ( 0.02,  0.02,  0.01)
185:     angle   (-188.480, 168.110, -74.826)  (-188.460, 168.128, -74.824)  ( 0.01,  0.01,  0.00)
185:     torsion (  4.764,  -0.733, -12.644)  (  4.767,  -0.733, -12.617)  ( 0.08,  0.01,  0.21)
185:     oop     (  0.167,  -0.024,  -0.427)  (  0.126,  -0.018,  -0.319)  ( 0.69,  0.02,  4.59)
185:     vdw     ( 51.816,  62.429,  16.078)  ( 51.817,  62.430,  16.078)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 24       (-340.956, 471.644, -155.708)  (-340.799, 471.689, -155.922)  ( 0.05,  0.01,  0.14)
185:     bond    (-87.772, 315.177, -53.391)  (-87.729, 315.209, -53.383)  ( 0.05,  0.01,  0.01)
185:     angle   (-266.595, 179.453, -119.794)  (-266.580, 179.480, -119.794)  ( 0.01,  0.02,  0.00)
185:     torsion ( -3.047,   0.367,   8.319)  ( -3.044,   0.367,   8.338)  ( 0.10,  0.00,  0.23)
185:     oop     ( -0.533,   0.079,   1.372)  ( -0.437,   0.065,   1.131)  ( 5.14,  0.12, 17.58)
185:     vdw     ( 16.992, -23.433,   7.787)  ( 16.992, -23.432,   7.787)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 25       (125.716, -305.181,  59.352)  (125.829, -305.134,  59.218)  ( 0.09,  0.02,  0.22)
185:     bond    (-30.214, 190.400, -29.022)  (-30.176, 190.432, -29.016)  ( 0.12,  0.02,  0.02)
185:     angle   (111.351, -427.295,  73.315)  (111.360, -427.271,  73.317)  ( 0.01,  0.01,  0.00)
185:     torsion (  6.776,  -0.115, -18.396)  (  6.779,  -0.115, -18.376)  ( 0.05,  0.00,  0.11)
185:     oop     ( -0.289,   0.080,   0.729)  ( -0.226,   0.067,   0.569)  ( 1.83,  0.11, 11.64)
185:     vdw     ( 38.092, -68.250,  32.725)  ( 38.092, -68.247,  32.725)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 26       (-217.964, -53.713, -70.476)  (-217.943, -53.662, -70.386)  ( 0.01,  0.09,  0.13)
185:     bond    (-129.118, -144.702, -38.830)  (-129.088, -144.673, -38.826)  ( 0.02,  0.02,  0.01)
185:     angle   (-92.939,  94.229, -67.021)  (-92.923,  94.245, -67.016)  ( 0.02,  0.02,  0.01)
185:     torsion ( -0.862,  -0.355,   1.681)  ( -0.860,  -0.355,   1.692)  ( 0.17,  0.01,  0.62)
185:     oop     (  0.159,  -0.034,  -0.406)  (  0.132,  -0.028,  -0.336)  ( 0.43,  0.02,  2.81)
185:     vdw     (  4.796,  -2.851,  34.099)  (  4.796,  -2.851,  34.100)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 27       (309.239, -201.556, 101.651)  (309.302, -201.516, 101.608)  ( 0.02,  0.02,  0.04)
185:     bond    (248.311, -157.888, 106.012)  (248.345, -157.860, 106.018)  ( 0.01,  0.02,  0.01)
185:     angle   ( 48.554, -35.777,  18.789)  ( 48.560, -35.759,  18.792)  ( 0.01,  0.05,  0.01)
185:     torsion (  9.873,  -2.247, -25.452)  (  9.874,  -2.247, -25.445)  ( 0.01,  0.00,  0.03)
185:     oop     ( -0.142,   0.030,   0.372)  ( -0.120,   0.025,   0.314)  ( 0.31,  0.01,  2.16)
185:     vdw     (  2.642,  -5.673,   1.931)  (  2.643,  -5.673,   1.931)  ( 0.02,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 28       ( 87.379, -176.189,  45.678)  ( 87.415, -176.122,  45.774)  ( 0.04,  0.04,  0.21)
185:     bond    (-122.952, 125.551, -56.601)  (-122.912, 125.596, -56.593)  ( 0.03,  0.04,  0.01)
185:     angle   (212.046, -303.014, 100.749)  (212.065, -302.998, 100.753)  ( 0.01,  0.01,  0.00)
185:     torsion ( -1.009,  -0.804,   2.730)  ( -1.007,  -0.804,   2.747)  ( 0.24,  0.01,  0.65)
185:     oop     (  0.144,  -0.028,  -0.384)  (  0.119,  -0.023,  -0.317)  ( 0.35,  0.01,  2.55)
185:     vdw     ( -0.850,   2.107,  -0.816)  ( -0.850,   2.107,  -0.816)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 29       ( 28.638,  80.760,   2.152)  ( 28.598,  80.784,   2.334)  ( 0.14,  0.03,  8.48)
185:     bond    (-13.342,   5.622,  -5.580)  (-13.316,   5.627,  -5.576)  ( 0.19,  0.08,  0.08)
185:     angle   ( 29.775,  77.751,   7.356)  ( 29.777,  77.759,   7.356)  ( 0.00,  0.01,  0.01)
185:     torsion (  1.225,  -0.163,  -3.094)  (  1.225,  -0.163,  -3.091)  ( 0.05,  0.00,  0.12)
185:     oop     (  0.284,  -0.046,  -0.725)  (  0.216,  -0.035,  -0.551)  ( 1.94,  0.05, 12.68)
185:     vdw     ( 10.696,  -2.404,   4.196)  ( 10.696,  -2.404,   4.196)  ( 0.00,  0.02,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 30       (-51.769, 170.421, -28.422)  (-51.718, 170.451, -28.427)  ( 0.10,  0.02,  0.02)
185:     bond    (-57.140,  -0.068, -21.182)  (-57.114,  -0.050, -21.162)  ( 0.05,  0.13,  0.09)
185:     angle   ( -4.494, 146.661, -12.973)  ( -4.484, 146.674, -12.965)  ( 0.24,  0.01,  0.07)
185:     torsion ( -1.064,   4.904,   2.867)  ( -1.063,   4.906,   2.871)  ( 0.05,  0.03,  0.13)
185:     oop     ( -0.060,   0.012,   0.161)  ( -0.046,   0.009,   0.123)  ( 0.08,  0.00,  0.60)
185:     vdw     ( 10.989,  18.912,   2.706)  ( 10.989,  18.913,   2.706)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 31       (-39.625, -46.446,   4.953)  (-39.572, -46.418,   4.932)  ( 0.13,  0.06,  0.43)
185:     bond    ( 24.264,   1.025, -37.484)  ( 24.284,   1.044, -37.464)  ( 0.08,  1.86,  0.05)
185:     angle   (-64.819, -62.366,  28.293)  (-64.808, -62.354,  28.302)  ( 0.02,  0.02,  0.03)
185:     torsion (  1.880,   5.952,   6.218)  (  1.882,   5.952,   6.219)  ( 0.08,  0.01,  0.01)
185:     oop     ( -0.086,   0.018,   0.218)  ( -0.066,   0.014,   0.166)  ( 0.18,  0.01,  1.13)
185:     vdw     ( -0.864,   8.926,   7.708)  ( -0.864,   8.926,   7.708)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 32       ( 17.161,  37.789, -11.581)  ( 17.192,  37.821, -11.550)  ( 0.18,  0.08,  0.27)
185:     bond    ( -6.574, -42.124,  16.847)  ( -6.556, -42.105,  16.867)  ( 0.28,  0.05,  0.12)
185:     angle   ( 18.684,  57.126, -24.812)  ( 18.694,  57.137, -24.802)  ( 0.05,  0.02,  0.04)
185:     torsion (  8.251,  21.142,   0.462)  (  8.253,  21.143,   0.462)  ( 0.03,  0.01,  0.04)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.200,   1.645,  -4.077)  ( -3.200,   1.645,  -4.077)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 33       ( -4.601, -28.457, -17.819)  ( -4.572, -28.428, -17.789)  ( 0.61,  0.10,  0.16)
185:     bond    ( -2.307,  38.602,  27.693)  ( -2.289,  38.622,  27.712)  ( 0.80,  0.05,  0.07)
185:     angle   ( -1.034, -67.182, -17.928)  ( -1.026, -67.173, -17.919)  ( 0.78,  0.01,  0.05)
185:     torsion (  2.723,  -0.138,   0.283)  (  2.724,  -0.137,   0.284)  ( 0.06,  0.01,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -3.981,   0.260, -27.867)  ( -3.981,   0.260, -27.866)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 34       (  9.373,  -5.263,  -5.246)  (  9.379,  -5.250,  -5.243)  ( 0.06,  0.24,  0.06)
185:     bond    (  6.793, -18.562,   0.914)  (  6.794, -18.550,   0.914)  ( 0.03,  0.07,  0.01)
185:     angle   ( 12.826,   4.169, -10.756)  ( 12.830,   4.169, -10.754)  ( 0.03,  0.01,  0.02)
185:     torsion (  6.776,   2.158,  -6.569)  (  6.777,   2.159,  -6.568)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-17.022,   6.971,  11.165)  (-17.022,   6.971,  11.165)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 35       (  8.439,   3.595, -13.990)  (  8.444,   3.600, -13.978)  ( 0.06,  0.12,  0.09)
185:     bond    (  4.852,   7.538, -18.762)  (  4.853,   7.540, -18.751)  ( 0.02,  0.03,  0.06)
185:     angle   ( 17.637,  -2.460,   3.577)  ( 17.641,  -2.458,   3.577)  ( 0.02,  0.08,  0.02)
185:     torsion ( -2.872,   1.678,  -0.068)  ( -2.872,   1.678,  -0.068)  ( 0.01,  0.02,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-11.178,  -3.161,   1.263)  (-11.178,  -3.161,   1.263)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 36       ( 13.034,   2.868,   7.553)  ( 13.047,   2.872,   7.558)  ( 0.11,  0.11,  0.06)
185:     bond    ( 19.930,  -1.163,  -2.917)  ( 19.944,  -1.163,  -2.916)  ( 0.07,  0.01,  0.01)
185:     angle   ( -0.525,   7.456,  -6.566)  ( -0.525,   7.459,  -6.563)  ( 0.00,  0.03,  0.06)
185:     torsion (  0.113,  -3.557,   2.187)  (  0.113,  -3.556,   2.187)  ( 0.00,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.484,   0.132,  14.849)  ( -6.484,   0.132,  14.849)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 37       (  7.808,   6.534,   2.461)  (  7.812,   6.547,   2.466)  ( 0.05,  0.20,  0.20)
185:     bond    ( -5.121,  18.462,  -2.248)  ( -5.120,  18.475,  -2.248)  ( 0.02,  0.07,  0.01)
185:     angle   ( 12.554,   2.071, -11.579)  ( 12.556,   2.071, -11.575)  ( 0.02,  0.01,  0.03)
185:     torsion (  8.704,   1.762,  -5.344)  (  8.705,   1.762,  -5.344)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.328, -15.761,  21.633)  ( -8.328, -15.761,  21.633)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 38       (  4.689,   1.345,  14.511)  (  4.695,   1.349,  14.523)  ( 0.11,  0.32,  0.08)
185:     bond    ( -4.521,  -7.164,  18.317)  ( -4.520,  -7.162,  18.328)  ( 0.02,  0.03,  0.06)
185:     angle   ( -8.158,   5.530,   0.150)  ( -8.155,   5.532,   0.151)  ( 0.04,  0.04,  0.01)
185:     torsion (  2.436,  -2.304,  -0.299)  (  2.436,  -2.304,  -0.299)  ( 0.01,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 14.933,   5.283,  -3.657)  ( 14.933,   5.283,  -3.657)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 39       ( -0.359,   4.608,   8.965)  ( -0.353,   4.620,   8.968)  ( 0.21,  0.28,  0.03)
185:     bond    ( -6.686,  18.075,  -0.977)  ( -6.685,  18.088,  -0.977)  ( 0.03,  0.07,  0.01)
185:     angle   (-13.717,  -4.486,  10.782)  (-13.713,  -4.486,  10.784)  ( 0.02,  0.01,  0.02)
185:     torsion ( -5.879,  -1.787,   7.143)  ( -5.879,  -1.787,   7.143)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 25.924,  -7.195,  -7.982)  ( 25.924,  -7.195,  -7.982)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 40       (-15.640,  -4.131,   5.459)  (-15.626,  -4.128,   5.464)  ( 0.09,  0.07,  0.09)
185:     bond    (-20.987,   1.060,   3.290)  (-20.973,   1.060,   3.290)  ( 0.06,  0.01,  0.01)
185:     angle   (  1.888,  -7.800,  14.544)  (  1.888,  -7.797,  14.548)  ( 0.01,  0.03,  0.03)
185:     torsion ( -0.238,   1.144,  -1.889)  ( -0.238,   1.144,  -1.888)  ( 0.00,  0.04,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  3.698,   1.465, -10.486)  (  3.698,   1.466, -10.486)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 41       ( -2.868,  -8.359,   8.203)  ( -2.864,  -8.346,   8.208)  ( 0.14,  0.16,  0.06)
185:     bond    (  5.462, -18.914,   2.362)  (  5.463, -18.901,   2.362)  ( 0.02,  0.07,  0.01)
185:     angle   (-11.884,  -1.457,  15.815)  (-11.882,  -1.457,  15.819)  ( 0.02,  0.01,  0.02)
185:     torsion ( -6.481,  -1.186,   5.499)  ( -6.480,  -1.186,   5.499)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 10.035,  13.198, -15.473)  ( 10.035,  13.198, -15.472)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 42       (  2.797,   3.776,   4.300)  (  2.801,   3.789,   4.303)  ( 0.13,  0.35,  0.08)
185:     bond    ( -3.557,  12.409,  -0.546)  ( -3.556,  12.422,  -0.546)  ( 0.03,  0.10,  0.00)
185:     angle   ( 17.083,   5.825,  21.266)  ( 17.086,   5.825,  21.269)  ( 0.01,  0.00,  0.01)
185:     torsion ( -0.038,  -0.009,   0.033)  ( -0.038,  -0.009,   0.033)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-10.691, -14.448, -16.454)  (-10.691, -14.448, -16.453)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 43       (  8.026,   3.053,   2.790)  (  8.040,   3.056,   2.793)  ( 0.17,  0.09,  0.13)
185:     bond    ( 12.762,  -0.692,  -1.574)  ( 12.775,  -0.692,  -1.574)  ( 0.11,  0.01,  0.02)
185:     angle   (  2.727,   6.099,  19.454)  (  2.727,   6.101,  19.457)  ( 0.00,  0.04,  0.01)
185:     torsion (  0.016,  -0.402,   0.307)  (  0.016,  -0.402,   0.307)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -7.478,  -1.951, -15.397)  ( -7.478,  -1.951, -15.397)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 44       (  1.200,   1.204,   8.941)  (  1.203,   1.208,   8.953)  ( 0.28,  0.36,  0.14)
185:     bond    ( -2.604,  -4.517,  11.804)  ( -2.604,  -4.515,  11.816)  ( 0.02,  0.04,  0.10)
185:     angle   ( 16.627,   9.458,   7.279)  ( 16.629,   9.461,   7.279)  ( 0.01,  0.03,  0.01)
185:     torsion (  0.483,  -0.369,  -0.034)  (  0.483,  -0.369,  -0.034)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (-13.306,  -3.369, -10.108)  (-13.306,  -3.369, -10.108)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 45       ( 38.713,  44.328,   7.887)  ( 38.722,  44.347,   7.854)  ( 0.02,  0.04,  0.42)
185:     bond    ( 43.946,  43.820,   9.845)  ( 43.953,  43.828,   9.845)  ( 0.02,  0.02,  0.01)
185:     angle   ( -4.853,   4.607,   1.140)  ( -4.851,   4.609,   1.140)  ( 0.04,  0.04,  0.01)
185:     torsion ( -0.054,   0.616,  -2.505)  ( -0.054,   0.616,  -2.500)  ( 0.00,  0.02,  0.19)
185:     oop     (  0.003,  -0.054,   0.231)  (  0.002,  -0.045,   0.193)  ( 0.00,  0.05,  0.89)
185:     vdw     ( -0.328,  -4.660,  -0.824)  ( -0.328,  -4.660,  -0.824)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 46       (-18.395,  57.830,  23.586)  (-18.389,  57.857,  23.541)  ( 0.03,  0.05,  0.19)
185:     bond    (-10.669,  53.306,  13.917)  (-10.668,  53.320,  13.918)  ( 0.01,  0.03,  0.01)
185:     angle   ( 40.079,   7.653,   1.404)  ( 40.082,   7.653,   1.404)  ( 0.01,  0.00,  0.00)
185:     torsion (  0.080,  -2.491,   9.598)  (  0.080,  -2.490,   9.602)  ( 0.00,  0.01,  0.05)
185:     oop     (  0.007,  -0.087,   0.339)  (  0.006,  -0.074,   0.289)  ( 0.00,  0.11,  1.71)
185:     vdw     (-47.891,  -0.551,  -1.672)  (-47.889,  -0.551,  -1.672)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 47       ( 12.896, -47.842, -29.476)  ( 12.902, -47.867, -29.330)  ( 0.05,  0.05,  0.50)
185:     bond    ( 16.083, -55.844, -15.523)  ( 16.084, -55.831, -15.522)  ( 0.01,  0.02,  0.01)
185:     angle   ( 16.899,   4.635,   0.843)  ( 16.903,   4.635,   0.843)  ( 0.02,  0.01,  0.00)
185:     torsion ( -0.281,   4.759, -17.416)  ( -0.281,   4.760, -17.411)  ( 0.00,  0.01,  0.03)
185:     oop     ( -0.003,   0.252,  -0.909)  ( -0.003,   0.213,  -0.768)  ( 0.00,  0.98, 12.78)
185:     vdw     (-19.802,  -1.643,   3.528)  (-19.801,  -1.643,   3.528)  ( 0.01,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 48       (-13.369, -21.958,  16.625)  (-13.356, -21.953,  16.629)  ( 0.10,  0.02,  0.02)
185:     bond    (-18.943,  -0.495,   4.460)  (-18.930,  -0.495,   4.461)  ( 0.07,  0.00,  0.02)
185:     angle   (  2.111, -25.347,   6.142)  (  2.111, -25.343,   6.145)  ( 0.01,  0.02,  0.04)
185:     torsion (  2.357,   0.951,  10.106)  (  2.357,   0.952,  10.106)  ( 0.00,  0.04,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.107,   2.933,  -4.084)  (  1.107,   2.933,  -4.084)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 49       (  5.762, -15.925,   9.043)  (  5.768, -15.919,   9.052)  ( 0.11,  0.04,  0.10)
185:     bond    (  1.912,   1.900,   3.242)  (  1.915,   1.902,   3.250)  ( 0.15,  0.15,  0.25)
185:     angle   (-32.893,  -8.313,  24.245)  (-32.891,  -8.310,  24.246)  ( 0.01,  0.04,  0.00)
185:     torsion (  0.587,   3.391,  -2.331)  (  0.588,   3.391,  -2.331)  ( 0.03,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( 36.156, -12.903, -16.113)  ( 36.157, -12.903, -16.113)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 50       ( -1.794,  13.571, -14.957)  ( -1.790,  13.584, -14.954)  ( 0.22,  0.09,  0.02)
185:     bond    ( -5.047,  12.898,   0.979)  ( -5.045,  12.910,   0.979)  ( 0.04,  0.09,  0.01)
185:     angle   (  6.345,   3.861, -18.227)  (  6.346,   3.862, -18.224)  ( 0.03,  0.01,  0.01)
185:     torsion ( -2.173,  -0.796,  -0.702)  ( -2.172,  -0.796,  -0.702)  ( 0.02,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -0.919,  -2.393,   2.993)  ( -0.919,  -2.392,   2.993)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 51       (  5.006,  11.117, -16.029)  (  5.019,  11.120, -16.025)  ( 0.26,  0.02,  0.02)
185:     bond    (  7.392,   0.592,  -2.237)  (  7.405,   0.592,  -2.236)  ( 0.17,  0.01,  0.05)
185:     angle   (-10.078,  18.633, -28.438)  (-10.078,  18.635, -28.435)  ( 0.00,  0.01,  0.01)
185:     torsion (  0.198,   2.152,   1.225)  (  0.198,   2.152,   1.225)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  7.494, -10.259,  13.421)  (  7.494, -10.259,  13.422)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 52       (  0.874,   5.631, -19.225)  (  0.880,   5.637, -19.217)  ( 0.47,  0.09,  0.05)
185:     bond    ( -6.958,  -6.497, -10.205)  ( -6.955,  -6.494, -10.198)  ( 0.05,  0.05,  0.07)
185:     angle   (  6.830,  14.880, -14.137)  (  6.831,  14.882, -14.136)  ( 0.02,  0.01,  0.01)
185:     torsion (  0.986,  -0.661,  -0.252)  (  0.986,  -0.661,  -0.252)  ( 0.04,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.017,  -2.090,   5.369)  (  0.017,  -2.090,   5.369)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 53       (162.332, -31.360, 165.767)  (162.312, -31.329, 165.841)  ( 0.01,  0.10,  0.04)
185:     bond    ( 20.228, -169.925,  23.926)  ( 20.227, -169.904,  23.926)  ( 0.00,  0.01,  0.00)
185:     angle   ( 33.422,   5.569,  11.284)  ( 33.427,   5.569,  11.285)  ( 0.01,  0.00,  0.01)
185:     torsion ( 11.888,  -2.850, -30.292)  ( 11.888,  -2.850, -30.287)  ( 0.01,  0.00,  0.01)
185:     oop     (  0.236,  -0.056,  -0.599)  (  0.210,  -0.050,  -0.533)  ( 0.62,  0.03,  3.94)
185:     vdw     ( 96.558, 135.903, 161.448)  ( 96.559, 135.906, 161.451)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 54       (  6.868, -11.480,   4.680)  (  6.872, -11.467,   4.683)  ( 0.07,  0.11,  0.06)
185:     bond    ( -3.346,  -9.614,  -0.475)  ( -3.344,  -9.602,  -0.475)  ( 0.05,  0.13,  0.00)
185:     angle   (  4.186,  -1.551,   1.860)  (  4.189,  -1.551,   1.862)  ( 0.07,  0.02,  0.12)
185:     torsion ( -0.343,   0.074,   0.922)  ( -0.343,   0.074,   0.923)  ( 0.00,  0.00,  0.05)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.371,  -0.389,   2.373)  (  6.371,  -0.389,   2.373)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 55       (  3.014,   2.398,  11.667)  (  3.022,   2.404,  11.675)  ( 0.24,  0.24,  0.06)
185:     bond    ( -6.207,   5.487,   6.557)  ( -6.202,   5.491,   6.563)  ( 0.08,  0.07,  0.08)
185:     angle   (  0.093,  -6.009,   5.115)  (  0.096,  -6.008,   5.117)  ( 0.02,  0.02,  0.03)
185:     torsion ( -0.228,  -0.987,   0.610)  ( -0.228,  -0.987,   0.610)  ( 0.00,  0.05,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  9.356,   3.907,  -0.615)  (  9.356,   3.907,  -0.615)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 56       ( 10.342,  -0.931,  -8.154)  ( 10.346,  -0.927,  -8.142)  ( 0.04,  0.42,  0.15)
185:     bond    ( -0.146,   4.226,  -9.796)  ( -0.146,   4.229,  -9.784)  ( 0.00,  0.05,  0.12)
185:     angle   (  3.610,  -6.420,  -2.828)  (  3.614,  -6.418,  -2.828)  ( 0.10,  0.03,  0.01)
185:     torsion (  0.452,  -2.813,  -1.222)  (  0.452,  -2.812,  -1.222)  ( 0.00,  0.02,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  6.425,   4.075,   5.692)  (  6.425,   4.075,   5.692)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 57       ( -6.624, -14.288,  -2.175)  ( -6.621, -14.278,  -2.169)  ( 0.05,  0.07,  0.31)
185:     bond    (  0.989, -14.292,  -9.940)  (  0.989, -14.283,  -9.936)  ( 0.01,  0.07,  0.05)
185:     angle   (  8.783,   7.248,  -9.549)  (  8.785,   7.249,  -9.547)  ( 0.03,  0.01,  0.02)
185:     torsion ( -9.476,  -9.922,  13.320)  ( -9.476,  -9.922,  13.320)  ( 0.00,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -6.919,   2.677,   3.994)  ( -6.919,   2.677,   3.994)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 58       (  8.994,  -1.935, -21.348)  (  9.005,  -1.929, -21.345)  ( 0.13,  0.30,  0.01)
185:     bond    ( 12.966,   7.217,  -1.458)  ( 12.977,   7.220,  -1.458)  ( 0.08,  0.05,  0.01)
185:     angle   (  2.755,  -7.423, -12.226)  (  2.756,  -7.421, -12.223)  ( 0.02,  0.03,  0.02)
185:     torsion (  2.153,  -6.788, -14.449)  (  2.153,  -6.787, -14.450)  ( 0.00,  0.01,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -8.881,   5.059,   6.785)  ( -8.881,   5.059,   6.785)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 59       ( -8.671, -11.979,  -0.173)  ( -8.660, -11.973,  -0.169)  ( 0.13,  0.05,  0.06)
185:     bond    (-16.832, -10.136,   1.712)  (-16.822, -10.133,   1.713)  ( 0.06,  0.04,  0.01)
185:     angle   (  6.492,  -9.808,   5.760)  (  6.493,  -9.806,   5.763)  ( 0.01,  0.02,  0.05)
185:     torsion ( -0.020,  -0.277,  -1.833)  ( -0.020,  -0.276,  -1.833)  ( 0.00,  0.02,  0.02)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.689,   8.241,  -5.813)  (  1.689,   8.241,  -5.813)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 60       (  0.581, -21.765,  10.171)  (  0.590, -21.757,  10.175)  ( 0.53,  0.03,  0.04)
185:     bond    ( 15.609, -12.895,   6.060)  ( 15.617, -12.890,   6.061)  ( 0.05,  0.04,  0.02)
185:     angle   ( -5.964,  -6.114,   2.360)  ( -5.963,  -6.113,   2.363)  ( 0.02,  0.02,  0.12)
185:     torsion ( -8.008,  -7.854,   3.930)  ( -8.008,  -7.853,   3.930)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.057,   5.099,  -2.180)  ( -1.057,   5.099,  -2.179)  ( 0.00,  0.00,  0.01)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 61       (  2.912,  13.405,  16.850)  (  2.914,  13.409,  16.863)  ( 0.09,  0.03,  0.08)
185:     bond    ( -1.242,  -3.976,  13.089)  ( -1.242,  -3.975,  13.101)  ( 0.01,  0.03,  0.10)
185:     angle   ( -1.996,  20.852,   6.138)  ( -1.994,  20.855,   6.138)  ( 0.09,  0.01,  0.00)
185:     torsion (  5.685,  -0.198,   0.479)  (  5.686,  -0.198,   0.479)  ( 0.01,  0.00,  0.00)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  0.465,  -3.273,  -2.855)  (  0.465,  -3.273,  -2.855)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 62       (  0.638,  16.986,   4.348)  (  0.648,  16.991,   4.350)  ( 0.67,  0.04,  0.06)
185:     bond    ( 10.808,   6.980,  -0.988)  ( 10.817,   6.984,  -0.988)  ( 0.09,  0.06,  0.01)
185:     angle   ( -6.882,  12.809,  15.223)  ( -6.881,  12.811,  15.225)  ( 0.01,  0.01,  0.01)
185:     torsion ( -2.284,   2.981,  -3.935)  ( -2.284,   2.981,  -3.935)  ( 0.01,  0.01,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     ( -1.004,  -5.785,  -5.952)  ( -1.004,  -5.784,  -5.952)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: 63       ( -5.490,  12.050,   9.477)  ( -5.480,  12.057,   9.480)  ( 0.17,  0.06,  0.04)
185:     bond    ( -8.767,   6.776,  -2.293)  ( -8.759,   6.781,  -2.292)  ( 0.10,  0.07,  0.03)
185:     angle   (  5.404,  14.181,  21.304)  (  5.405,  14.183,  21.306)  ( 0.02,  0.01,  0.01)
185:     torsion ( -3.779,  -3.434,   4.280)  ( -3.778,  -3.434,   4.281)  ( 0.00,  0.00,  0.01)
185:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185:     vdw     (  1.652,  -5.474, -13.815)  (  1.652,  -5.474, -13.814)  ( 0.00,  0.00,  0.00)
185:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
185: ok 36 # gradients 
185: 1..36
182/229 Test #185: test_ffuff_1 .....................   Passed    8.64 sec
test 186
        Start 186: test_formalcharge_1

186: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "formalcharge" "1"
186: Environment variables: 
186:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
186:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
186: Test timeout computed to be: 1500
186: # Testing molecular formal charges...
183:  1       ( -0.184,  -0.156,  -0.178)  ( -0.177,  -0.152,  -0.170)  ( 0.15,  0.07,  0.14)
183:     bond    ( 12.215,  -2.444,  -2.026)  ( 12.221,  -2.440,  -2.025)  ( 0.05,  0.20,  0.04)
183:     angle   (  1.031,   1.567,   0.419)  (  1.033,   1.568,   0.419)  ( 0.17,  0.09,  0.01)
183:     strbnd  ( -0.276,   0.595,   0.200)  ( -0.276,   0.595,   0.200)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.026,  -0.060,   0.134)  (  0.026,  -0.060,   0.135)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.003,   0.011,  -0.034)  ( -0.003,   0.009,  -0.028)  ( 0.00,  0.00,  0.02)
183:     vdw     (-13.301,   0.238,   1.219)  (-13.301,   0.238,   1.219)  ( 0.00,  0.00,  0.00)
183:     electro (  0.124,  -0.062,  -0.090)  (  0.124,  -0.062,  -0.090)  ( 0.00,  0.00,  0.00)
183:  2       (  0.845,  -0.251,   0.614)  (  0.850,  -0.233,   0.583)  ( 0.37,  0.45,  1.87)
183:     bond    (  8.668,  -9.202,  -3.657)  (  8.674,  -9.197,  -3.657)  ( 0.06,  0.06,  0.02)
183:     angle   (  1.060,  -2.236,  -0.846)  (  1.061,  -2.234,  -0.846)  ( 0.15,  0.07,  0.02)
183:     strbnd  ( -2.306,  -0.145,   0.209)  ( -2.306,  -0.145,   0.209)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.009,  -0.028,   0.128)  ( -0.009,  -0.028,   0.129)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.014,  -0.067,   0.198)  (  0.012,  -0.056,   0.166)  ( 0.00,  0.08,  0.65)
183:     vdw     ( -6.352,  11.522,   4.701)  ( -6.352,  11.522,   4.701)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.230,  -0.094,  -0.119)  ( -0.230,  -0.094,  -0.119)  ( 0.00,  0.00,  0.00)
183:  3       (  0.073,   0.716,   1.596)  (  0.084,   0.707,   1.644)  ( 0.08,  0.65,  3.02)
183:     bond    ( -6.462, -14.039,  -4.598)  ( -6.457, -14.034,  -4.597)  ( 0.08,  0.04,  0.02)
183:     angle   (  4.729,   7.796,   2.474)  (  4.731,   7.798,   2.474)  ( 0.04,  0.02,  0.01)
183:     strbnd  (  3.737,  -3.706,  -1.522)  (  3.737,  -3.707,  -1.522)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.300,  -2.114,   5.663)  (  0.300,  -2.114,   5.664)  ( 0.00,  0.01,  0.02)
183:     oop     ( -0.022,   0.095,  -0.277)  ( -0.019,   0.079,  -0.231)  ( 0.01,  0.15,  1.28)
183:     vdw     ( -2.173,  13.069,   0.311)  ( -2.172,  13.069,   0.311)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.037,  -0.384,  -0.455)  ( -0.037,  -0.384,  -0.455)  ( 0.00,  0.00,  0.00)
183:  4       ( -1.358,  -0.473,  -0.649)  ( -1.353,  -0.260,  -0.780)  ( 0.39, 10.03,  8.48)
183:     bond    ( -4.734,   2.347,   1.095)  ( -4.729,   2.352,   1.096)  ( 0.11,  0.20,  0.07)
183:     angle   (-10.062,  -2.611,   4.140)  (-10.060,  -2.609,   4.140)  ( 0.02,  0.07,  0.01)
183:     strbnd  (  3.811,   0.602,   0.274)  (  3.811,   0.601,   0.274)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.109,   2.386,  -1.969)  ( -0.109,   2.387,  -1.968)  ( 0.00,  0.01,  0.06)
183:     oop     (  0.013,  -1.116,   0.755)  (  0.011,  -0.910,   0.622)  ( 0.00, 18.44, 10.07)
183:     vdw     (  9.138,  -2.304,  -5.262)  (  9.139,  -2.304,  -5.262)  ( 0.00,  0.00,  0.00)
183:     electro (  0.584,   0.223,   0.317)  (  0.584,   0.223,   0.317)  ( 0.00,  0.00,  0.00)
183:  5       ( -0.945,  -0.437,  -0.547)  ( -0.950,  -0.380,  -0.686)  ( 0.41,  2.50,  7.61)
183:     bond    ( -9.877,  12.321,   6.024)  ( -9.872,  12.326,   6.025)  ( 0.05,  0.04,  0.01)
183:     angle   (  0.777,  -3.545,  -1.191)  (  0.779,  -3.544,  -1.191)  ( 0.13,  0.04,  0.02)
183:     strbnd  (  3.218,   2.140,   0.609)  (  3.218,   2.140,   0.609)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.010,   0.739,  -2.169)  (  0.010,   0.739,  -2.168)  ( 0.00,  0.01,  0.06)
183:     oop     (  0.069,  -0.304,   0.854)  (  0.058,  -0.253,   0.713)  ( 0.08,  1.53, 12.07)
183:     vdw     (  4.433, -11.904,  -4.594)  (  4.433, -11.904,  -4.594)  ( 0.00,  0.00,  0.00)
183:     electro (  0.425,   0.115,  -0.080)  (  0.425,   0.115,  -0.080)  ( 0.00,  0.00,  0.00)
183:  6       (  0.533,   0.106,  -0.757)  (  0.541,   0.107,  -0.740)  ( 0.44,  0.00,  1.34)
183:     bond    ( 10.935,  11.123,   2.675)  ( 10.940,  11.128,   2.676)  ( 0.05,  0.04,  0.03)
183:     angle   ( -1.841,   0.246,   0.285)  ( -1.839,   0.247,   0.285)  ( 0.09,  0.04,  0.01)
183:     strbnd  ( -0.658,   0.437,   0.063)  ( -0.658,   0.437,   0.063)  ( 0.01,  0.01,  0.00)
181:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
181:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
181:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
181:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
181:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
181:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
181:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
181:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
181:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
186: ok 1
186: 1..1
183/229 Test #186: test_formalcharge_1 ..............   Passed    1.12 sec
test 187
        Start 187: test_format_1

187: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "format" "1"
187: Environment variables: 
187:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
187:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
187: Test timeout computed to be: 1500
181:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
181:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
181:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
181:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
181:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
181:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
181:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
181:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
181:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
181:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
187: # Unit tests for OBFormat 
187: 1..4
187: ok 1
187: ok 2
187: ok 3
187: ok 4
184/229 Test #187: test_format_1 ....................   Passed    0.74 sec
test 188
        Start 188: test_formula_1

188: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "formula" "1"
188: Environment variables: 
188:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
188:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
188: Test timeout computed to be: 1500
179:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
179:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
179:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
179:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
179:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
179:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
179:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
188: # Testing molecular formulas...
183:     torsion ( -0.004,   0.151,  -0.129)  ( -0.004,   0.151,  -0.128)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.010,   0.040,  -0.102)  ( -0.008,   0.034,  -0.087)  ( 0.00,  0.03,  0.16)
183:     vdw     ( -7.809, -11.860,  -3.494)  ( -7.809, -11.860,  -3.494)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.081,  -0.031,  -0.054)  ( -0.081,  -0.031,  -0.054)  ( 0.00,  0.00,  0.00)
183:  7       (  4.182,  -0.110,  -2.955)  (  4.161,  -0.952,  -2.296)  ( 0.49,  9.24, 22.30)
183:     bond    ( -8.014,   7.203,  10.301)  ( -8.008,   7.206,  10.304)  ( 0.07,  0.04,  0.04)
183:     angle   ( 23.571,  -6.002, -12.520)  ( 23.573,  -6.000, -12.519)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -5.963,   1.001,   0.741)  ( -5.964,   1.001,   0.741)  ( 0.01,  0.02,  0.02)
183:     torsion ( -2.504, -12.743,   5.344)  ( -2.504, -12.742,   5.344)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.288,   5.178,  -4.155)  (  0.261,   4.331,  -3.501)  ( 0.80, 16.35, 15.74)
183:     vdw     ( -1.708,   5.497,  -2.750)  ( -1.708,   5.497,  -2.750)  ( 0.01,  0.00,  0.00)
183:     electro ( -1.488,  -0.244,   0.085)  ( -1.488,  -0.244,   0.085)  ( 0.00,  0.00,  0.00)
183:  8       ( -1.923,   7.274,   9.287)  ( -1.901,   8.167,   8.906)  ( 1.12, 12.27,  4.10)
183:     bond    (  7.906,   3.155,   6.283)  (  7.911,   3.158,   6.291)  ( 0.07,  0.08,  0.13)
183:     angle   (-11.927,  11.968,  23.696)  (-11.925,  11.969,  23.697)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -0.172,  -3.227,  -7.634)  ( -0.173,  -3.227,  -7.635)  ( 0.02,  0.01,  0.01)
183:     torsion ( -1.724,   6.797, -17.832)  ( -1.724,   6.797, -17.832)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.107,  -5.155,   2.589)  ( -0.093,  -4.267,   2.199)  ( 0.16, 17.23, 15.06)
183:     vdw     (  4.239,  -5.387,   2.000)  (  4.239,  -5.387,   2.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.137,  -0.875,   0.186)  ( -0.137,  -0.875,   0.186)  ( 0.00,  0.00,  0.00)
183:  9       (  6.140,  -3.439,  -4.350)  (  6.157,  -3.721,  -4.188)  ( 0.27,  8.20,  3.73)
183:     bond    (  6.677,  -9.432, -17.814)  (  6.678,  -9.430, -17.808)  ( 0.01,  0.02,  0.03)
183:     angle   ( -3.223,  -0.345,  -1.026)  ( -3.222,  -0.345,  -1.026)  ( 0.03,  0.00,  0.01)
183:     strbnd  ( -3.032,   4.056,   7.810)  ( -3.032,   4.056,   7.810)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.306,   6.009,  -3.297)  ( -0.306,   6.009,  -3.297)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.071,   1.455,  -0.797)  ( -0.056,   1.171,  -0.641)  ( 0.11, 19.52, 12.44)
183:     vdw     (  7.280,  -5.048,  11.866)  (  7.280,  -5.048,  11.866)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.185,  -0.133,  -1.092)  ( -1.185,  -0.133,  -1.092)  ( 0.00,  0.00,  0.00)
183: 10       (  1.503,  -0.193,   0.092)  (  1.469,  -0.420,  -0.248)  ( 2.28,  4.37,  3.13)
183:     bond    (  9.695,  23.920,  -3.884)  (  9.701,  23.924,  -3.884)  ( 0.06,  0.02,  0.01)
183:     angle   (-15.143, -13.685, -10.389)  (-15.141, -13.683, -10.388)  ( 0.01,  0.01,  0.01)
183:     strbnd  (  1.542, -11.914,   0.169)  (  1.542, -11.915,   0.169)  ( 0.03,  0.01,  0.00)
183:     torsion (  1.960,  -0.605,  10.880)  (  1.960,  -0.605,  10.881)  ( 0.00,  0.01,  0.01)
183:     oop     (  0.202,   1.528,   1.715)  (  0.161,   1.295,   1.373)  ( 0.83, 15.24, 19.96)
183:     vdw     (  3.415,   0.682,   1.760)  (  3.415,   0.682,   1.760)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.168,  -0.118,  -0.159)  ( -0.168,  -0.118,  -0.159)  ( 0.00,  0.00,  0.00)
183: 11       ( -3.382,   0.002,   1.664)  ( -3.375,   0.163,   2.211)  ( 0.21,  0.04, 32.88)
183:     bond    (-13.094,  -5.115,  -0.788)  (-13.089,  -5.111,  -0.787)  ( 0.04,  0.09,  0.05)
183:     angle   ( -2.503,   4.242,  11.159)  ( -2.501,   4.244,  11.160)  ( 0.09,  0.05,  0.00)
183:     strbnd  ( 10.155,   7.918,  -0.812)  ( 10.154,   7.917,  -0.812)  ( 0.01,  0.01,  0.01)
183:     torsion (  1.046,  -1.903,  -2.449)  (  1.046,  -1.903,  -2.448)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.039,  -0.779,  -2.945)  ( -0.038,  -0.624,  -2.400)  ( 0.00, 12.08, 18.52)
183:     vdw     ( -0.018,  -4.278,  -1.767)  ( -0.018,  -4.278,  -1.767)  ( 0.00,  0.00,  0.00)
183:     electro (  1.070,  -0.081,  -0.735)  (  1.070,  -0.081,  -0.735)  ( 0.00,  0.00,  0.00)
183: 12       ( -0.151,  -0.223,  -0.298)  ( -0.144,  -0.255,  -0.423)  ( 0.09,  0.71,  3.72)
188: ok 1 # molecular formula
188: ok 2 # molecular weight
188: ok 3 # molecular exact mass
188: ok 4 # molecular hydrogen-added formula
188: ok 5 # molecule + hydrogens weight
188: ok 6 # molecular exact mass after hydrogen addition
188: ok 7 # molecular formula
188: ok 8 # molecular weight
188: ok 9 # molecular exact mass
188: ok 10 # molecular hydrogen-added formula
188: ok 11 # molecule + hydrogens weight
188: ok 12 # molecular exact mass after hydrogen addition
188: ok 13 # molecular formula
188: ok 14 # molecular weight
188: ok 15 # molecular exact mass
188: ok 16 # molecular hydrogen-added formula
188: ok 17 # molecule + hydrogens weight
188: ok 18 # molecular exact mass after hydrogen addition
188: ok 19 # molecular formula
188: ok 20 # molecular weight
188: ok 21 # molecular exact mass
188: ok 22 # molecular hydrogen-added formula
188: ok 23 # molecule + hydrogens weight
188: ok 24 # molecular exact mass after hydrogen addition
188: ok 25 # molecular formula
188: ok 26 # molecular weight
188: ok 27 # molecular exact mass
188: ok 28 # molecular hydrogen-added formula
188: ok 29 # molecule + hydrogens weight
188: ok 30 # molecular exact mass after hydrogen addition
188: ok 31 # molecular formula
188: ok 32 # molecular weight
188: ok 33 # molecular exact mass
188: ok 34 # molecular hydrogen-added formula
188: ok 35 # molecule + hydrogens weight
188: ok 36 # molecular exact mass after hydrogen addition
188: ok 37 # molecular formula
188: ok 38 # molecular weight
188: ok 39 # molecular exact mass
188: ok 40 # molecular hydrogen-added formula
188: ok 41 # molecule + hydrogens weight
188: ok 42 # molecular exact mass after hydrogen addition
188: ok 43 # molecular formula
188: ok 44 # molecular weight
188: ok 45 # molecular exact mass
188: ok 46 # molecular hydrogen-added formula
188: ok 47 # molecule + hydrogens weight
188: ok 48 # molecular exact mass after hydrogen addition
188: ok 49 # molecular formula
188: ok 50 # molecular weight
188: ok 51 # molecular exact mass
188: ok 52 # molecular hydrogen-added formula
188: ok 53 # molecule + hydrogens weight
188: ok 54 # molecular exact mass after hydrogen addition
188: ok 55 # molecular formula
188: ok 56 # molecular weight
188: ok 57 # molecular exact mass
188: ok 58 # molecular hydrogen-added formula
188: ok 59 # molecule + hydrogens weight
188: ok 60 # molecular exact mass after hydrogen addition
188: ok 61 # molecular formula
188: ok 62 # molecular weight
188: ok 63 # molecular exact mass
188: ok 64 # molecular hydrogen-added formula
188: ok 65 # molecule + hydrogens weight
188: ok 66 # molecular exact mass after hydrogen addition
188: ok 67 # molecular formula
188: ok 68 # molecular weight
188: ok 69 # molecular exact mass
188: ok 70 # molecular hydrogen-added formula
188: ok 71 # molecule + hydrogens weight
188: ok 72 # molecular exact mass after hydrogen addition
188: ok 73 # molecular formula
188: ok 74 # molecular weight
188: ok 75 # molecular exact mass
188: ok 76 # molecular hydrogen-added formula
188: ok 77 # molecule + hydrogens weight
188: ok 78 # molecular exact mass after hydrogen addition
188: ok 79 # molecular formula
188: ok 80 # molecular weight
188: ok 81 # molecular exact mass
188: ok 82 # molecular hydrogen-added formula
188: ok 83 # molecule + hydrogens weight
188: ok 84 # molecular exact mass after hydrogen addition
188: ok 85 # molecular formula
188: ok 86 # molecular weight
188: ok 87 # molecular exact mass
188: ok 88 # molecular hydrogen-added formula
188: ok 89 # molecule + hydrogens weight
188: ok 90 # molecular exact mass after hydrogen addition
188: ok 91 # molecular formula
188: ok 92 # molecular weight
188: ok 93 # molecular exact mass
188: ok 94 # molecular hydrogen-added formula
188: ok 95 # molecule + hydrogens weight
188: ok 96 # molecular exact mass after hydrogen addition
188: ok 97 # molecular formula
188: ok 98 # molecular weight
188: ok 99 # molecular exact mass
188: ok 100 # molecular hydrogen-added formula
188: ok 101 # molecule + hydrogens weight
188: ok 102 # molecular exact mass after hydrogen addition
188: ok 103 # molecular formula
188: ok 104 # molecular weight
188: ok 105 # molecular exact mass
188: ok 106 # molecular hydrogen-added formula
188: ok 107 # molecule + hydrogens weight
188: ok 108 # molecular exact mass after hydrogen addition
188: ok 109 # molecular formula
188: ok 110 # molecular weight
188: ok 111 # molecular exact mass
188: ok 112 # molecular hydrogen-added formula
188: ok 113 # molecule + hydrogens weight
188: ok 114 # molecular exact mass after hydrogen addition
188: ok 115 # molecular formula
188: ok 116 # molecular weight
188: ok 117 # molecular exact mass
188: ok 118 # molecular hydrogen-added formula
188: ok 119 # molecule + hydrogens weight
188: ok 120 # molecular exact mass after hydrogen addition
188: ok 121 # molecular formula
188: ok 122 # molecular weight
188: ok 123 # molecular exact mass
188: ok 124 # molecular hydrogen-added formula
188: ok 125 # molecule + hydrogens weight
188: ok 126 # molecular exact mass after hydrogen addition
188: ok 127 # molecular formula
188: ok 128 # molecular weight
188: ok 129 # molecular exact mass
188: ok 130 # molecular hydrogen-added formula
188: ok 131 # molecule + hydrogens weight
188: ok 132 # molecular exact mass after hydrogen addition
188: ok 133 # molecular formula
188: ok 134 # molecular weight
188: ok 135 # molecular exact mass
188: ok 136 # molecular hydrogen-added formula
188: ok 137 # molecule + hydrogens weight
188: ok 138 # molecular exact mass after hydrogen addition
188: ok 139 # molecular formula
188: ok 140 # molecular weight
188: ok 141 # molecular exact mass
188: ok 142 # molecular hydrogen-added formula
188: ok 143 # molecule + hydrogens weight
188: ok 144 # molecular exact mass after hydrogen addition
188: ok 145 # molecular formula
188: ok 146 # molecular weight
188: ok 147 # molecular exact mass
188: ok 148 # molecular hydrogen-added formula
188: ok 149 # molecule + hydrogens weight
188: ok 150 # molecular exact mass after hydrogen addition
188: ok 151 # molecular formula
188: ok 152 # molecular weight
188: ok 153 # molecular exact mass
188: ok 154 # molecular hydrogen-added formula
188: ok 155 # molecule + hydrogens weight
188: ok 156 # molecular exact mass after hydrogen addition
188: ok 157 # molecular formula
188: ok 158 # molecular weight
188: ok 159 # molecular exact mass
188: ok 160 # molecular hydrogen-added formula
188: ok 161 # molecule + hydrogens weight
188: ok 162 # molecular exact mass after hydrogen addition
188: ok 163 # molecular formula
188: ok 164 # molecular weight
188: ok 165 # molecular exact mass
188: ok 166 # molecular hydrogen-added formula
188: ok 167 # molecule + hydrogens weight
188: ok 168 # molecular exact mass after hydrogen addition
188: ok 169 # molecular formula
188: ok 170 # molecular weight
188: ok 171 # molecular exact mass
188: ok 172 # molecular hydrogen-added formula
188: ok 173 # molecule + hydrogens weight
188: ok 174 # molecular exact mass after hydrogen addition
188: ok 175 # molecular formula
188: ok 176 # molecular weight
188: ok 177 # molecular exact mass
188: ok 178 # molecular hydrogen-added formula
188: ok 179 # molecule + hydrogens weight
188: ok 180 # molecular exact mass after hydrogen addition
188: ok 181 # molecular formula
188: ok 182 # molecular weight
188: ok 183 # molecular exact mass
188: ok 184 # molecular hydrogen-added formula
188: ok 185 # molecule + hydrogens weight
188: ok 186 # molecular exact mass after hydrogen addition
188: ok 187 # molecular formula
188: ok 188 # molecular weight
188: ok 189 # molecular exact mass
188: ok 190 # molecular hydrogen-added formula
188: ok 191 # molecule + hydrogens weight
188: ok 192 # molecular exact mass after hydrogen addition
188: ok 193 # molecular formula
188: ok 194 # molecular weight
188: ok 195 # molecular exact mass
188: ok 196 # molecular hydrogen-added formula
188: ok 197 # molecule + hydrogens weight
188: ok 198 # molecular exact mass after hydrogen addition
188: ok 199 # molecular formula
188: ok 200 # molecular weight
188: ok 201 # molecular exact mass
188: ok 202 # molecular hydrogen-added formula
188: ok 203 # molecule + hydrogens weight
188: ok 204 # molecular exact mass after hydrogen addition
188: ok 205 # molecular formula
188: ok 206 # molecular weight
188: ok 207 # molecular exact mass
188: ok 208 # molecular hydrogen-added formula
188: ok 209 # molecule + hydrogens weight
188: ok 210 # molecular exact mass after hydrogen addition
188: ok 211 # molecular formula
188: ok 212 # molecular weight
188: ok 213 # molecular exact mass
188: ok 214 # molecular hydrogen-added formula
188: ok 215 # molecule + hydrogens weight
188: ok 216 # molecular exact mass after hydrogen addition
188: ok 217 # molecular formula
188: ok 218 # molecular weight
188: ok 219 # molecular exact mass
188: ok 220 # molecular hydrogen-added formula
188: ok 221 # molecule + hydrogens weight
188: ok 222 # molecular exact mass after hydrogen addition
188: ok 223 # molecular formula
188: ok 224 # molecular weight
188: ok 225 # molecular exact mass
188: ok 226 # molecular hydrogen-added formula
188: ok 227 # molecule + hydrogens weight
188: ok 228 # molecular exact mass after hydrogen addition
188: ok 229 # molecular formula
188: ok 230 # molecular weight
188: ok 231 # molecular exact mass
188: ok 232 # molecular hydrogen-added formula
188: ok 233 # molecule + hydrogens weight
188: ok 234 # molecular exact mass after hydrogen addition
188: ok 235 # molecular formula
188: ok 236 # molecular weight
188: ok 237 # molecular exact mass
188: ok 238 # molecular hydrogen-added formula
188: ok 239 # molecule + hydrogens weight
188: ok 240 # molecular exact mass after hydrogen addition
188: ok 241 # molecular formula
188: ok 242 # molecular weight
188: ok 243 # molecular exact mass
188: ok 244 # molecular hydrogen-added formula
188: ok 245 # molecule + hydrogens weight
188: ok 246 # molecular exact mass after hydrogen addition
188: ok 247 # molecular formula
188: ok 248 # molecular weight
188: ok 249 # molecular exact mass
188: ok 250 # molecular hydrogen-added formula
188: ok 251 # molecule + hydrogens weight
188: ok 252 # molecular exact mass after hydrogen addition
188: ok 253 # molecular formula
188: ok 254 # molecular weight
188: ok 255 # molecular exact mass
188: ok 256 # molecular hydrogen-added formula
188: ok 257 # molecule + hydrogens weight
188: ok 258 # molecular exact mass after hydrogen addition
188: ok 259 # molecular formula
188: ok 260 # molecular weight
188: ok 261 # molecular exact mass
188: ok 262 # molecular hydrogen-added formula
188: ok 263 # molecule + hydrogens weight
188: ok 264 # molecular exact mass after hydrogen addition
188: ok 265 # molecular formula
188: ok 266 # molecular weight
188: ok 267 # molecular exact mass
188: ok 268 # molecular hydrogen-added formula
188: ok 269 # molecule + hydrogens weight
188: ok 270 # molecular exact mass after hydrogen addition
188: ok 271 # molecular formula
188: ok 272 # molecular weight
188: ok 273 # molecular exact mass
188: ok 274 # molecular hydrogen-added formula
188: ok 275 # molecule + hydrogens weight
188: ok 276 # molecular exact mass after hydrogen addition
188: ok 277 # molecular formula
188: ok 278 # molecular weight
188: ok 279 # molecular exact mass
188: ok 280 # molecular hydrogen-added formula
188: ok 281 # molecule + hydrogens weight
188: ok 282 # molecular exact mass after hydrogen addition
188: ok 283 # molecular formula
188: ok 284 # molecular weight
188: ok 285 # molecular exact mass
188: ok 286 # molecular hydrogen-added formula
188: ok 287 # molecule + hydrogens weight
188: ok 288 # molecular exact mass after hydrogen addition
188: ok 289 # molecular formula
188: ok 290 # molecular weight
188: ok 291 # molecular exact mass
188: ok 292 # molecular hydrogen-added formula
188: ok 293 # molecule + hydrogens weight
188: ok 294 # molecular exact mass after hydrogen addition
188: ok 295 # molecular formula
188: ok 296 # molecular weight
188: ok 297 # molecular exact mass
188: ok 298 # molecular hydrogen-added formula
188: ok 299 # molecule + hydrogens weight
188: ok 300 # molecular exact mass after hydrogen addition
188: ok 301 # molecular formula
188: ok 302 # molecular weight
188: ok 303 # molecular exact mass
188: ok 304 # molecular hydrogen-added formula
188: ok 305 # molecule + hydrogens weight
188: ok 306 # molecular exact mass after hydrogen addition
188: ok 307 # molecular formula
188: ok 308 # molecular weight
188: ok 309 # molecular exact mass
188: ok 310 # molecular hydrogen-added formula
188: ok 311 # molecule + hydrogens weight
188: ok 312 # molecular exact mass after hydrogen addition
188: ok 313 # molecular formula
188: ok 314 # molecular weight
188: ok 315 # molecular exact mass
188: ok 316 # molecular hydrogen-added formula
188: ok 317 # molecule + hydrogens weight
188: ok 318 # molecular exact mass after hydrogen addition
188: ok 319 # molecular formula
188: ok 320 # molecular weight
188: ok 321 # molecular exact mass
188: ok 322 # molecular hydrogen-added formula
188: ok 323 # molecule + hydrogens weight
188: ok 324 # molecular exact mass after hydrogen addition
188: ok 325 # molecular formula
188: ok 326 # molecular weight
188: ok 327 # molecular exact mass
188: ok 328 # molecular hydrogen-added formula
188: ok 329 # molecule + hydrogens weight
188: ok 330 # molecular exact mass after hydrogen addition
188: ok 331 # molecular formula
188: ok 332 # molecular weight
188: ok 333 # molecular exact mass
188: ok 334 # molecular hydrogen-added formula
188: ok 335 # molecule + hydrogens weight
188: ok 336 # molecular exact mass after hydrogen addition
188: ok 337 # molecular formula
188: ok 338 # molecular weight
188: ok 339 # molecular exact mass
188: ok 340 # molecular hydrogen-added formula
188: ok 341 # molecule + hydrogens weight
188: ok 342 # molecular exact mass after hydrogen addition
188: ok 343 # molecular formula
188: ok 344 # molecular weight
188: ok 345 # molecular exact mass
188: ok 346 # molecular hydrogen-added formula
188: ok 347 # molecule + hydrogens weight
188: ok 348 # molecular exact mass after hydrogen addition
188: ok 349 # molecular formula
188: ok 350 # molecular weight
188: ok 351 # molecular exact mass
188: ok 352 # molecular hydrogen-added formula
188: ok 353 # molecule + hydrogens weight
188: ok 354 # molecular exact mass after hydrogen addition
188: ok 355 # molecular formula
188: ok 356 # molecular weight
188: ok 357 # molecular exact mass
188: ok 358 # molecular hydrogen-added formula
188: ok 359 # molecule + hydrogens weight
188: ok 360 # molecular exact mass after hydrogen addition
188: ok 361 # molecular formula
188: ok 362 # molecular weight
188: ok 363 # molecular exact mass
188: ok 364 # molecular hydrogen-added formula
188: ok 365 # molecule + hydrogens weight
188: ok 366 # molecular exact mass after hydrogen addition
188: ok 367 # molecular formula
188: ok 368 # molecular weight
188: ok 369 # molecular exact mass
188: ok 370 # molecular hydrogen-added formula
188: ok 371 # molecule + hydrogens weight
188: ok 372 # molecular exact mass after hydrogen addition
188: ok 373 # molecular formula
188: ok 374 # molecular weight
188: ok 375 # molecular exact mass
188: ok 376 # molecular hydrogen-added formula
188: ok 377 # molecule + hydrogens weight
188: ok 378 # molecular exact mass after hydrogen addition
188: ok 379 # molecular formula
188: ok 380 # molecular weight
188: ok 381 # molecular exact mass
188: ok 382 # molecular hydrogen-added formula
188: ok 383 # molecule + hydrogens weight
188: ok 384 # molecular exact mass after hydrogen addition
188: ok 385 # molecular formula
188: ok 386 # molecular weight
188: ok 387 # molecular exact mass
188: ok 388 # molecular hydrogen-added formula
188: ok 389 # molecule + hydrogens weight
188: ok 390 # molecular exact mass after hydrogen addition
188: ok 391 # molecular formula
188: ok 392 # molecular weight
188: ok 393 # molecular exact mass
188: ok 394 # molecular hydrogen-added formula
188: ok 395 # molecule + hydrogens weight
188: ok 396 # molecular exact mass after hydrogen addition
188: ok 397 # molecular formula
188: ok 398 # molecular weight
188: ok 399 # molecular exact mass
188: ok 400 # molecular hydrogen-added formula
188: ok 401 # molecule + hydrogens weight
188: ok 402 # molecular exact mass after hydrogen addition
188: ok 403 # molecular formula
188: ok 404 # molecular weight
188: ok 405 # molecular exact mass
188: ok 406 # molecular hydrogen-added formula
188: ok 407 # molecule + hydrogens weight
188: ok 408 # molecular exact mass after hydrogen addition
188: ok 409 # molecular formula
188: ok 410 # molecular weight
188: ok 411 # molecular exact mass
188: ok 412 # molecular hydrogen-added formula
188: ok 413 # molecule + hydrogens weight
188: ok 414 # molecular exact mass after hydrogen addition
188: ok 415 # molecular formula
188: ok 416 # molecular weight
188: ok 417 # molecular exact mass
188: ok 418 # molecular hydrogen-added formula
188: ok 419 # molecule + hydrogens weight
188: ok 420 # molecular exact mass after hydrogen addition
188: ok 421 # molecular formula
188: ok 422 # molecular weight
188: ok 423 # molecular exact mass
188: ok 424 # molecular hydrogen-added formula
188: ok 425 # molecule + hydrogens weight
188: ok 426 # molecular exact mass after hydrogen addition
188: ok 427 # molecular formula
188: ok 428 # molecular weight
188: ok 429 # molecular exact mass
188: ok 430 # molecular hydrogen-added formula
188: ok 431 # molecule + hydrogens weight
188: ok 432 # molecular exact mass after hydrogen addition
188: ok 433 # molecular formula
188: ok 434 # molecular weight
188: ok 435 # molecular exact mass
188: ok 436 # molecular hydrogen-added formula
188: ok 437 # molecule + hydrogens weight
188: ok 438 # molecular exact mass after hydrogen addition
188: ok 439 # molecular formula
188: ok 440 # molecular weight
188: ok 441 # molecular exact mass
188: ok 442 # molecular hydrogen-added formula
188: ok 443 # molecule + hydrogens weight
188: ok 444 # molecular exact mass after hydrogen addition
188: ok 445 # molecular formula
188: ok 446 # molecular weight
188: ok 447 # molecular exact mass
188: ok 448 # molecular hydrogen-added formula
188: ok 449 # molecule + hydrogens weight
188: ok 450 # molecular exact mass after hydrogen addition
188: ok 451 # molecular formula
188: ok 452 # molecular weight
188: ok 453 # molecular exact mass
188: ok 454 # molecular hydrogen-added formula
188: ok 455 # molecule + hydrogens weight
188: ok 456 # molecular exact mass after hydrogen addition
188: ok 457 # molecular formula
188: ok 458 # molecular weight
188: ok 459 # molecular exact mass
188: ok 460 # molecular hydrogen-added formula
188: ok 461 # molecule + hydrogens weight
188: ok 462 # molecular exact mass after hydrogen addition
188: ok 463 # molecular formula
188: ok 464 # molecular weight
188: ok 465 # molecular exact mass
188: ok 466 # molecular hydrogen-added formula
188: ok 467 # molecule + hydrogens weight
188: ok 468 # molecular exact mass after hydrogen addition
188: ok 469 # molecular formula
188: ok 470 # molecular weight
188: ok 471 # molecular exact mass
188: ok 472 # molecular hydrogen-added formula
188: ok 473 # molecule + hydrogens weight
188: ok 474 # molecular exact mass after hydrogen addition
188: ok 475 # molecular formula
188: ok 476 # molecular weight
188: ok 477 # molecular exact mass
188: ok 478 # molecular hydrogen-added formula
188: ok 479 # molecule + hydrogens weight
188: ok 480 # molecular exact mass after hydrogen addition
188: ok 481 # molecular formula
188: ok 482 # molecular weight
188: ok 483 # molecular exact mass
188: ok 484 # molecular hydrogen-added formula
188: ok 485 # molecule + hydrogens weight
188: ok 486 # molecular exact mass after hydrogen addition
188: ok 487 # molecular formula
188: ok 488 # molecular weight
188: ok 489 # molecular exact mass
188: ok 490 # molecular hydrogen-added formula
188: ok 491 # molecule + hydrogens weight
188: ok 492 # molecular exact mass after hydrogen addition
188: ok 493 # molecular formula
188: ok 494 # molecular weight
188: ok 495 # molecular exact mass
188: ok 496 # molecular hydrogen-added formula
188: ok 497 # molecule + hydrogens weight
188: ok 498 # molecular exact mass after hydrogen addition
188: ok 499 # molecular formula
188: ok 500 # molecular weight
188: ok 501 # molecular exact mass
188: ok 502 # molecular hydrogen-added formula
188: ok 503 # molecule + hydrogens weight
188: ok 504 # molecular exact mass after hydrogen addition
188: ok 505 # molecular formula
188: ok 506 # molecular weight
188: ok 507 # molecular exact mass
188: ok 508 # molecular hydrogen-added formula
188: ok 509 # molecule + hydrogens weight
188: ok 510 # molecular exact mass after hydrogen addition
188: ok 511 # molecular formula
188: ok 512 # molecular weight
188: ok 513 # molecular exact mass
188: ok 514 # molecular hydrogen-added formula
188: ok 515 # molecule + hydrogens weight
188: ok 516 # molecular exact mass after hydrogen addition
188: ok 517 # molecular formula
188: ok 518 # molecular weight
188: ok 519 # molecular exact mass
188: ok 520 # molecular hydrogen-added formula
188: ok 521 # molecule + hydrogens weight
188: ok 522 # molecular exact mass after hydrogen addition
188: ok 523 # molecular formula
188: ok 524 # molecular weight
188: ok 525 # molecular exact mass
188: ok 526 # molecular hydrogen-added formula
188: ok 527 # molecule + hydrogens weight
188: ok 528 # molecular exact mass after hydrogen addition
188: ok 529 # molecular formula
188: ok 530 # molecular weight
188: ok 531 # molecular exact mass
188: ok 532 # molecular hydrogen-added formula
188: ok 533 # molecule + hydrogens weight
188: ok 534 # molecular exact mass after hydrogen addition
188: ok 535 # molecular formula
188: ok 536 # molecular weight
188: ok 537 # molecular exact mass
188: ok 538 # molecular hydrogen-added formula
188: ok 539 # molecule + hydrogens weight
188: ok 540 # molecular exact mass after hydrogen addition
188: ok 541 # molecular formula
188: ok 542 # molecular weight
188: ok 543 # molecular exact mass
188: ok 544 # molecular hydrogen-added formula
188: ok 545 # molecule + hydrogens weight
188: ok 546 # molecular exact mass after hydrogen addition
188: ok 547 # molecular formula
188: ok 548 # molecular weight
188: ok 549 # molecular exact mass
188: ok 550 # molecular hydrogen-added formula
188: ok 551 # molecule + hydrogens weight
188: ok 552 # molecular exact mass after hydrogen addition
188: ok 553 # molecular formula
188: ok 554 # molecular weight
188: ok 555 # molecular exact mass
188: ok 556 # molecular hydrogen-added formula
188: ok 557 # molecule + hydrogens weight
188: ok 558 # molecular exact mass after hydrogen addition
188: ok 559 # molecular formula
188: ok 560 # molecular weight
188: ok 561 # molecular exact mass
188: ok 562 # molecular hydrogen-added formula
188: ok 563 # molecule + hydrogens weight
188: ok 564 # molecular exact mass after hydrogen addition
188: ok 565 # molecular formula
188: ok 566 # molecular weight
188: ok 567 # molecular exact mass
188: ok 568 # molecular hydrogen-added formula
188: ok 569 # molecule + hydrogens weight
188: ok 570 # molecular exact mass after hydrogen addition
188: ok 571 # molecular formula
188: ok 572 # molecular weight
188: ok 573 # molecular exact mass
188: ok 574 # molecular hydrogen-added formula
188: ok 575 # molecule + hydrogens weight
188: ok 576 # molecular exact mass after hydrogen addition
188: ok 577 # molecular formula
188: ok 578 # molecular weight
188: ok 579 # molecular exact mass
188: ok 580 # molecular hydrogen-added formula
188: ok 581 # molecule + hydrogens weight
188: ok 582 # molecular exact mass after hydrogen addition
188: ok 583 # molecular formula
188: ok 584 # molecular weight
188: ok 585 # molecular exact mass
188: ok 586 # molecular hydrogen-added formula
188: ok 587 # molecule + hydrogens weight
188: ok 588 # molecular exact mass after hydrogen addition
188: ok 589 # molecular formula
188: ok 590 # molecular weight
188: ok 591 # molecular exact mass
188: ok 592 # molecular hydrogen-added formula
188: ok 593 # molecule + hydrogens weight
188: ok 594 # molecular exact mass after hydrogen addition
188: ok 595 # molecular formula
188: ok 596 # molecular weight
188: ok 597 # molecular exact mass
188: ok 598 # molecular hydrogen-added formula
188: ok 599 # molecule + hydrogens weight
188: ok 600 # molecular exact mass after hydrogen addition
188: ok 601 # molecular formula
188: ok 602 # molecular weight
188: ok 603 # molecular exact mass
188: ok 604 # molecular hydrogen-added formula
188: ok 605 # molecule + hydrogens weight
188: ok 606 # molecular exact mass after hydrogen addition
188: ok 607 # molecular formula
188: ok 608 # molecular weight
188: ok 609 # molecular exact mass
188: ok 610 # molecular hydrogen-added formula
188: ok 611 # molecule + hydrogens weight
188: ok 612 # molecular exact mass after hydrogen addition
188: ok 613 # molecular formula
188: ok 614 # molecular weight
188: ok 615 # molecular exact mass
188: ok 616 # molecular hydrogen-added formula
188: ok 617 # molecule + hydrogens weight
188: ok 618 # molecular exact mass after hydrogen addition
188: ok 619 # molecular formula
188: ok 620 # molecular weight
188: ok 621 # molecular exact mass
188: ok 622 # molecular hydrogen-added formula
188: ok 623 # molecule + hydrogens weight
188: ok 624 # molecular exact mass after hydrogen addition
188: ok 625 # molecular formula
188: ok 626 # molecular weight
188: ok 627 # molecular exact mass
188: ok 628 # molecular hydrogen-added formula
188: ok 629 # molecule + hydrogens weight
188: ok 630 # molecular exact mass after hydrogen addition
188: ok 631 # molecular formula
188: ok 632 # molecular weight
188: ok 633 # molecular exact mass
188: ok 634 # molecular hydrogen-added formula
188: ok 635 # molecule + hydrogens weight
188: ok 636 # molecular exact mass after hydrogen addition
188: ok 637 # molecular formula
188: ok 638 # molecular weight
188: ok 639 # molecular exact mass
188: ok 640 # molecular hydrogen-added formula
188: ok 641 # molecule + hydrogens weight
188: ok 642 # molecular exact mass after hydrogen addition
188: ok 643 # molecular formula
188: ok 644 # molecular weight
188: ok 645 # molecular exact mass
188: ok 646 # molecular hydrogen-added formula
188: ok 647 # molecule + hydrogens weight
188: ok 648 # molecular exact mass after hydrogen addition
188: ok 649 # molecular formula
188: ok 650 # molecular weight
188: ok 651 # molecular exact mass
188: ok 652 # molecular hydrogen-added formula
188: ok 653 # molecule + hydrogens weight
188: ok 654 # molecular exact mass after hydrogen addition
188: ok 655 # molecular formula
188: ok 656 # molecular weight
188: ok 657 # molecular exact mass
188: ok 658 # molecular hydrogen-added formula
188: ok 659 # molecule + hydrogens weight
188: ok 660 # molecular exact mass after hydrogen addition
188: ok 661 # molecular formula
188: ok 662 # molecular weight
188: ok 663 # molecular exact mass
188: ok 664 # molecular hydrogen-added formula
188: ok 665 # molecule + hydrogens weight
188: ok 666 # molecular exact mass after hydrogen addition
188: ok 667 # molecular formula
188: ok 668 # molecular weight
188: ok 669 # molecular exact mass
188: ok 670 # molecular hydrogen-added formula
188: ok 671 # molecule + hydrogens weight
188: ok 672 # molecular exact mass after hydrogen addition
188: ok 673 # molecular formula
188: ok 674 # molecular weight
188: ok 675 # molecular exact mass
188: ok 676 # molecular hydrogen-added formula
188: ok 677 # molecule + hydrogens weight
188: ok 678 # molecular exact mass after hydrogen addition
188: ok 679 # molecular formula
188: ok 680 # molecular weight
188: ok 681 # molecular exact mass
188: ok 682 # molecular hydrogen-added formula
188: ok 683 # molecule + hydrogens weight
188: ok 684 # molecular exact mass after hydrogen addition
188: ok 685 # molecular formula
188: ok 686 # molecular weight
188: ok 687 # molecular exact mass
188: ok 688 # molecular hydrogen-added formula
188: ok 689 # molecule + hydrogens weight
188: ok 690 # molecular exact mass after hydrogen addition
188: ok 691 # molecular formula
188: ok 692 # molecular weight
188: ok 693 # molecular exact mass
188: ok 694 # molecular hydrogen-added formula
188: ok 695 # molecule + hydrogens weight
188: ok 696 # molecular exact mass after hydrogen addition
188: ok 697 # molecular formula
188: ok 698 # molecular weight
188: ok 699 # molecular exact mass
188: ok 700 # molecular hydrogen-added formula
188: ok 701 # molecule + hydrogens weight
188: ok 702 # molecular exact mass after hydrogen addition
188: ok 703 # molecular formula
188: ok 704 # molecular weight
188: ok 705 # molecular exact mass
188: ok 706 # molecular hydrogen-added formula
188: ok 707 # molecule + hydrogens weight
188: ok 708 # molecular exact mass after hydrogen addition
188: ok 709 # molecular formula
188: ok 710 # molecular weight
188: ok 711 # molecular exact mass
188: ok 712 # molecular hydrogen-added formula
188: ok 713 # molecule + hydrogens weight
188: ok 714 # molecular exact mass after hydrogen addition
188: ok 715 # molecular formula
188: ok 716 # molecular weight
188: ok 717 # molecular exact mass
188: ok 718 # molecular hydrogen-added formula
188: ok 719 # molecule + hydrogens weight
188: ok 720 # molecular exact mass after hydrogen addition
188: ok 721 # molecular formula
188: ok 722 # molecular weight
188: ok 723 # molecular exact mass
188: ok 724 # molecular hydrogen-added formula
188: ok 725 # molecule + hydrogens weight
188: ok 726 # molecular exact mass after hydrogen addition
188: ok 727 # molecular formula
188: ok 728 # molecular weight
188: ok 729 # molecular exact mass
188: ok 730 # molecular hydrogen-added formula
188: ok 731 # molecule + hydrogens weight
188: ok 732 # molecular exact mass after hydrogen addition
188: ok 733 # molecular formula
188: ok 734 # molecular weight
188: ok 735 # molecular exact mass
188: ok 736 # molecular hydrogen-added formula
188: ok 737 # molecule + hydrogens weight
188: ok 738 # molecular exact mass after hydrogen addition
188: ok 739 # molecular formula
188: ok 740 # molecular weight
188: ok 741 # molecular exact mass
188: ok 742 # molecular hydrogen-added formula
188: ok 743 # molecule + hydrogens weight
188: ok 744 # molecular exact mass after hydrogen addition
188: ok 745 # molecular formula
188: ok 746 # molecular weight
188: ok 747 # molecular exact mass
188: ok 748 # molecular hydrogen-added formula
188: ok 749 # molecule + hydrogens weight
188: ok 750 # molecular exact mass after hydrogen addition
188: ok 751 # molecular formula
188: ok 752 # molecular weight
188: ok 753 # molecular exact mass
188: ok 754 # molecular hydrogen-added formula
188: ok 755 # molecule + hydrogens weight
188: ok 756 # molecular exact mass after hydrogen addition
188: ok 757 # molecular formula
188: ok 758 # molecular weight
188: ok 759 # molecular exact mass
188: ok 760 # molecular hydrogen-added formula
188: ok 761 # molecule + hydrogens weight
188: ok 762 # molecular exact mass after hydrogen addition
188: ok 763 # molecular formula
188: ok 764 # molecular weight
188: ok 765 # molecular exact mass
188: ok 766 # molecular hydrogen-added formula
188: ok 767 # molecule + hydrogens weight
188: ok 768 # molecular exact mass after hydrogen addition
188: ok 769 # molecular formula
188: ok 770 # molecular weight
188: ok 771 # molecular exact mass
188: ok 772 # molecular hydrogen-added formula
188: ok 773 # molecule + hydrogens weight
188: ok 774 # molecular exact mass after hydrogen addition
188: ok 775 # molecular formula
188: ok 776 # molecular weight
188: ok 777 # molecular exact mass
188: ok 778 # molecular hydrogen-added formula
188: ok 779 # molecule + hydrogens weight
188: ok 780 # molecular exact mass after hydrogen addition
188: ok 781 # molecular formula
188: ok 782 # molecular weight
188: ok 783 # molecular exact mass
188: ok 784 # molecular hydrogen-added formula
188: ok 785 # molecule + hydrogens weight
188: ok 786 # molecular exact mass after hydrogen addition
188: ok 787 # molecular formula
188: ok 788 # molecular weight
188: ok 789 # molecular exact mass
188: ok 790 # molecular hydrogen-added formula
188: ok 791 # molecule + hydrogens weight
188: ok 792 # molecular exact mass after hydrogen addition
188: ok 793 # molecular formula
188: ok 794 # molecular weight
188: ok 795 # molecular exact mass
188: ok 796 # molecular hydrogen-added formula
188: ok 797 # molecule + hydrogens weight
188: ok 798 # molecular exact mass after hydrogen addition
188: ok 799 # molecular formula
188: ok 800 # molecular weight
188: ok 801 # molecular exact mass
188: ok 802 # molecular hydrogen-added formula
188: ok 803 # molecule + hydrogens weight
188: ok 804 # molecular exact mass after hydrogen addition
188: ok 805 # molecular formula
188: ok 806 # molecular weight
188: ok 807 # molecular exact mass
188: ok 808 # molecular hydrogen-added formula
188: ok 809 # molecule + hydrogens weight
188: ok 810 # molecular exact mass after hydrogen addition
188: ok 811 # molecular formula
188: ok 812 # molecular weight
188: ok 813 # molecular exact mass
188: ok 814 # molecular hydrogen-added formula
188: ok 815 # molecule + hydrogens weight
188: ok 816 # molecular exact mass after hydrogen addition
188: ok 817 # molecular formula
188: ok 818 # molecular weight
188: ok 819 # molecular exact mass
188: ok 820 # molecular hydrogen-added formula
188: ok 821 # molecule + hydrogens weight
188: ok 822 # molecular exact mass after hydrogen addition
188: ok 823 # molecular formula
188: ok 824 # molecular weight
188: ok 825 # molecular exact mass
188: ok 826 # molecular hydrogen-added formula
188: ok 827 # molecule + hydrogens weight
188: ok 828 # molecular exact mass after hydrogen addition
188: ok 829 # molecular formula
188: ok 830 # molecular weight
188: ok 831 # molecular exact mass
188: ok 832 # molecular hydrogen-added formula
188: ok 833 # molecule + hydrogens weight
188: ok 834 # molecular exact mass after hydrogen addition
188: ok 835 # molecular formula
188: ok 836 # molecular weight
188: ok 837 # molecular exact mass
188: ok 838 # molecular hydrogen-added formula
188: ok 839 # molecule + hydrogens weight
188: ok 840 # molecular exact mass after hydrogen addition
188: ok 841 # molecular formula
188: ok 842 # molecular weight
188: ok 843 # molecular exact mass
188: ok 844 # molecular hydrogen-added formula
188: ok 845 # molecule + hydrogens weight
188: ok 846 # molecular exact mass after hydrogen addition
188: ok 847 # molecular formula
188: ok 848 # molecular weight
188: ok 849 # molecular exact mass
188: ok 850 # molecular hydrogen-added formula
188: ok 851 # molecule + hydrogens weight
188: ok 852 # molecular exact mass after hydrogen addition
188: ok 853 # molecular formula
188: ok 854 # molecular weight
188: ok 855 # molecular exact mass
188: ok 856 # molecular hydrogen-added formula
188: ok 857 # molecule + hydrogens weight
188: ok 858 # molecular exact mass after hydrogen addition
188: ok 859 # molecular formula
188: ok 860 # molecular weight
188: ok 861 # molecular exact mass
188: ok 862 # molecular hydrogen-added formula
188: ok 863 # molecule + hydrogens weight
188: ok 864 # molecular exact mass after hydrogen addition
188: ok 865 # molecular formula
188: ok 866 # molecular weight
188: ok 867 # molecular exact mass
188: ok 868 # molecular hydrogen-added formula
188: ok 869 # molecule + hydrogens weight
188: ok 870 # molecular exact mass after hydrogen addition
188: ok 871 # molecular formula
188: ok 872 # molecular weight
188: ok 873 # molecular exact mass
188: ok 874 # molecular hydrogen-added formula
188: ok 875 # molecule + hydrogens weight
188: ok 876 # molecular exact mass after hydrogen addition
188: ok 877 # molecular formula
188: ok 878 # molecular weight
188: ok 879 # molecular exact mass
188: ok 880 # molecular hydrogen-added formula
188: ok 881 # molecule + hydrogens weight
188: ok 882 # molecular exact mass after hydrogen addition
188: ok 883 # molecular formula
188: ok 884 # molecular weight
188: ok 885 # molecular exact mass
188: ok 886 # molecular hydrogen-added formula
188: ok 887 # molecule + hydrogens weight
188: ok 888 # molecular exact mass after hydrogen addition
188: ok 889 # molecular formula
188: ok 890 # molecular weight
188: ok 891 # molecular exact mass
188: ok 892 # molecular hydrogen-added formula
188: ok 893 # molecule + hydrogens weight
188: ok 894 # molecular exact mass after hydrogen addition
188: ok 895 # molecular formula
188: ok 896 # molecular weight
188: ok 897 # molecular exact mass
188: ok 898 # molecular hydrogen-added formula
188: ok 899 # molecule + hydrogens weight
188: ok 900 # molecular exact mass after hydrogen addition
188: ok 901 # molecular formula
188: ok 902 # molecular weight
188: ok 903 # molecular exact mass
188: ok 904 # molecular hydrogen-added formula
188: ok 905 # molecule + hydrogens weight
188: ok 906 # molecular exact mass after hydrogen addition
188: ok 907 # molecular formula
188: ok 908 # molecular weight
188: ok 909 # molecular exact mass
188: ok 910 # molecular hydrogen-added formula
188: ok 911 # molecule + hydrogens weight
188: ok 912 # molecular exact mass after hydrogen addition
188: ok 913 # molecular formula
188: ok 914 # molecular weight
188: ok 915 # molecular exact mass
188: ok 916 # molecular hydrogen-added formula
188: ok 917 # molecule + hydrogens weight
188: ok 918 # molecular exact mass after hydrogen addition
188: ok 919 # molecular formula
188: ok 920 # molecular weight
188: ok 921 # molecular exact mass
188: ok 922 # molecular hydrogen-added formula
188: ok 923 # molecule + hydrogens weight
188: ok 924 # molecular exact mass after hydrogen addition
188: ok 925 # molecular formula
188: ok 926 # molecular weight
188: ok 927 # molecular exact mass
188: ok 928 # molecular hydrogen-added formula
188: ok 929 # molecule + hydrogens weight
188: ok 930 # molecular exact mass after hydrogen addition
188: ok 931 # molecular formula
188: ok 932 # molecular weight
188: ok 933 # molecular exact mass
188: ok 934 # molecular hydrogen-added formula
188: ok 935 # molecule + hydrogens weight
188: ok 936 # molecular exact mass after hydrogen addition
188: ok 937 # molecular formula
188: ok 938 # molecular weight
188: ok 939 # molecular exact mass
188: ok 940 # molecular hydrogen-added formula
188: ok 941 # molecule + hydrogens weight
188: ok 942 # molecular exact mass after hydrogen addition
188: ok 943 # molecular formula
188: ok 944 # molecular weight
188: ok 945 # molecular exact mass
188: ok 946 # molecular hydrogen-added formula
188: ok 947 # molecule + hydrogens weight
188: ok 948 # molecular exact mass after hydrogen addition
188: ok 949 # molecular formula
188: ok 950 # molecular weight
188: ok 951 # molecular exact mass
188: ok 952 # molecular hydrogen-added formula
188: ok 953 # molecule + hydrogens weight
188: ok 954 # molecular exact mass after hydrogen addition
188: ok 955 # molecular formula
188: ok 956 # molecular weight
188: ok 957 # molecular exact mass
188: ok 958 # molecular hydrogen-added formula
188: ok 959 # molecule + hydrogens weight
188: ok 960 # molecular exact mass after hydrogen addition
188: ok 961 # molecular formula
188: ok 962 # molecular weight
188: ok 963 # molecular exact mass
188: ok 964 # molecular hydrogen-added formula
188: ok 965 # molecule + hydrogens weight
188: ok 966 # molecular exact mass after hydrogen addition
188: ok 967 # molecular formula
188: ok 968 # molecular weight
188: ok 969 # molecular exact mass
188: ok 970 # molecular hydrogen-added formula
188: ok 971 # molecule + hydrogens weight
188: ok 972 # molecular exact mass after hydrogen addition
188: ok 973 # molecular formula
188: ok 974 # molecular weight
188: ok 975 # molecular exact mass
188: ok 976 # molecular hydrogen-added formula
188: ok 977 # molecule + hydrogens weight
188: ok 978 # molecular exact mass after hydrogen addition
188: ok 979 # molecular formula
188: ok 980 # molecular weight
188: ok 981 # molecular exact mass
188: ok 982 # molecular hydrogen-added formula
188: ok 983 # molecule + hydrogens weight
188: ok 984 # molecular exact mass after hydrogen addition
188: ok 985 # molecular formula
188: ok 986 # molecular weight
188: ok 987 # molecular exact mass
188: ok 988 # molecular hydrogen-added formula
188: ok 989 # molecule + hydrogens weight
188: ok 990 # molecular exact mass after hydrogen addition
188: ok 991 # molecular formula
188: ok 992 # molecular weight
188: ok 993 # molecular exact mass
188: ok 994 # molecular hydrogen-added formula
188: ok 995 # molecule + hydrogens weight
188: ok 996 # molecular exact mass after hydrogen addition
188: ok 997 # molecular formula
188: ok 998 # molecular weight
188: ok 999 # molecular exact mass
188: ok 1000 # molecular hydrogen-added formula
188: ok 1001 # molecule + hydrogens weight
188: ok 1002 # molecular exact mass after hydrogen addition
188: ok 1003 # molecular formula
188: ok 1004 # molecular weight
188: ok 1005 # molecular exact mass
188: ok 1006 # molecular hydrogen-added formula
188: ok 1007 # molecule + hydrogens weight
188: ok 1008 # molecular exact mass after hydrogen addition
188: ok 1009 # molecular formula
188: ok 1010 # molecular weight
188: ok 1011 # molecular exact mass
188: ok 1012 # molecular hydrogen-added formula
188: ok 1013 # molecule + hydrogens weight
188: ok 1014 # molecular exact mass after hydrogen addition
188: ok 1015 # molecular formula
188: ok 1016 # molecular weight
188: ok 1017 # molecular exact mass
188: ok 1018 # molecular hydrogen-added formula
188: ok 1019 # molecule + hydrogens weight
188: ok 1020 # molecular exact mass after hydrogen addition
188: ok 1021 # molecular formula
188: ok 1022 # molecular weight
188: ok 1023 # molecular exact mass
188: ok 1024 # molecular hydrogen-added formula
188: ok 1025 # molecule + hydrogens weight
188: ok 1026 # molecular exact mass after hydrogen addition
188: ok 1027 # molecular formula
188: ok 1028 # molecular weight
188: ok 1029 # molecular exact mass
188: ok 1030 # molecular hydrogen-added formula
188: ok 1031 # molecule + hydrogens weight
188: ok 1032 # molecular exact mass after hydrogen addition
188: ok 1033 # molecular formula
188: ok 1034 # molecular weight
188: ok 1035 # molecular exact mass
188: ok 1036 # molecular hydrogen-added formula
188: ok 1037 # molecule + hydrogens weight
188: ok 1038 # molecular exact mass after hydrogen addition
188: ok 1039 # molecular formula
188: ok 1040 # molecular weight
188: ok 1041 # molecular exact mass
188: ok 1042 # molecular hydrogen-added formula
188: ok 1043 # molecule + hydrogens weight
188: ok 1044 # molecular exact mass after hydrogen addition
188: ok 1045 # molecular formula
188: ok 1046 # molecular weight
188: ok 1047 # molecular exact mass
188: ok 1048 # molecular hydrogen-added formula
188: ok 1049 # molecule + hydrogens weight
188: ok 1050 # molecular exact mass after hydrogen addition
188: ok 1051 # molecular formula
188: ok 1052 # molecular weight
188: ok 1053 # molecular exact mass
188: ok 1054 # molecular hydrogen-added formula
188: ok 1055 # molecule + hydrogens weight
188: ok 1056 # molecular exact mass after hydrogen addition
188: ok 1057 # molecular formula
188: ok 1058 # molecular weight
188: ok 1059 # molecular exact mass
188: ok 1060 # molecular hydrogen-added formula
188: ok 1061 # molecule + hydrogens weight
188: ok 1062 # molecular exact mass after hydrogen addition
188: ok 1063 # molecular formula
188: ok 1064 # molecular weight
188: ok 1065 # molecular exact mass
188: ok 1066 # molecular hydrogen-added formula
188: ok 1067 # molecule + hydrogens weight
188: ok 1068 # molecular exact mass after hydrogen addition
188: ok 1069 # molecular formula
188: ok 1070 # molecular weight
188: ok 1071 # molecular exact mass
188: ok 1072 # molecular hydrogen-added formula
188: ok 1073 # molecule + hydrogens weight
188: ok 1074 # molecular exact mass after hydrogen addition
188: ok 1075 # molecular formula
188: ok 1076 # molecular weight
188: ok 1077 # molecular exact mass
188: ok 1078 # molecular hydrogen-added formula
188: ok 1079 # molecule + hydrogens weight
188: ok 1080 # molecular exact mass after hydrogen addition
188: ok 1081 # molecular formula
188: ok 1082 # molecular weight
188: ok 1083 # molecular exact mass
188: ok 1084 # molecular hydrogen-added formula
188: ok 1085 # molecule + hydrogens weight
188: ok 1086 # molecular exact mass after hydrogen addition
188: ok 1087 # molecular formula
188: ok 1088 # molecular weight
188: ok 1089 # molecular exact mass
188: ok 1090 # molecular hydrogen-added formula
188: ok 1091 # molecule + hydrogens weight
188: ok 1092 # molecular exact mass after hydrogen addition
188: ok 1093 # molecular formula
188: ok 1094 # molecular weight
188: ok 1095 # molecular exact mass
188: ok 1096 # molecular hydrogen-added formula
188: ok 1097 # molecule + hydrogens weight
188: ok 1098 # molecular exact mass after hydrogen addition
188: ok 1099 # molecular formula
188: ok 1100 # molecular weight
188: ok 1101 # molecular exact mass
188: ok 1102 # molecular hydrogen-added formula
188: ok 1103 # molecule + hydrogens weight
188: ok 1104 # molecular exact mass after hydrogen addition
188: ok 1105 # molecular formula
188: ok 1106 # molecular weight
188: ok 1107 # molecular exact mass
188: ok 1108 # molecular hydrogen-added formula
188: ok 1109 # molecule + hydrogens weight
188: ok 1110 # molecular exact mass after hydrogen addition
188: ok 1111 # molecular formula
188: ok 1112 # molecular weight
188: ok 1113 # molecular exact mass
188: ok 1114 # molecular hydrogen-added formula
188: ok 1115 # molecule + hydrogens weight
188: ok 1116 # molecular exact mass after hydrogen addition
188: ok 1117 # molecular formula
188: ok 1118 # molecular weight
188: ok 1119 # molecular exact mass
188: ok 1120 # molecular hydrogen-added formula
188: ok 1121 # molecule + hydrogens weight
188: ok 1122 # molecular exact mass after hydrogen addition
188: ok 1123 # molecular formula
188: ok 1124 # molecular weight
188: ok 1125 # molecular exact mass
188: ok 1126 # molecular hydrogen-added formula
188: ok 1127 # molecule + hydrogens weight
188: ok 1128 # molecular exact mass after hydrogen addition
188: ok 1129 # molecular formula
188: ok 1130 # molecular weight
188: ok 1131 # molecular exact mass
188: ok 1132 # molecular hydrogen-added formula
188: ok 1133 # molecule + hydrogens weight
188: ok 1134 # molecular exact mass after hydrogen addition
188: ok 1135 # molecular formula
188: ok 1136 # molecular weight
188: ok 1137 # molecular exact mass
188: ok 1138 # molecular hydrogen-added formula
188: ok 1139 # molecule + hydrogens weight
188: ok 1140 # molecular exact mass after hydrogen addition
188: ok 1141 # molecular formula
188: ok 1142 # molecular weight
188: ok 1143 # molecular exact mass
188: ok 1144 # molecular hydrogen-added formula
188: ok 1145 # molecule + hydrogens weight
188: ok 1146 # molecular exact mass after hydrogen addition
188: ok 1147 # molecular formula
188: ok 1148 # molecular weight
188: ok 1149 # molecular exact mass
188: ok 1150 # molecular hydrogen-added formula
188: ok 1151 # molecule + hydrogens weight
188: ok 1152 # molecular exact mass after hydrogen addition
188: ok 1153 # molecular formula
188: ok 1154 # molecular weight
188: ok 1155 # molecular exact mass
188: ok 1156 # molecular hydrogen-added formula
188: ok 1157 # molecule + hydrogens weight
188: ok 1158 # molecular exact mass after hydrogen addition
188: ok 1159 # molecular formula
188: ok 1160 # molecular weight
188: ok 1161 # molecular exact mass
188: ok 1162 # molecular hydrogen-added formula
188: ok 1163 # molecule + hydrogens weight
188: ok 1164 # molecular exact mass after hydrogen addition
188: ok 1165 # molecular formula
188: ok 1166 # molecular weight
188: ok 1167 # molecular exact mass
188: ok 1168 # molecular hydrogen-added formula
188: ok 1169 # molecule + hydrogens weight
188: ok 1170 # molecular exact mass after hydrogen addition
188: ok 1171 # molecular formula
188: ok 1172 # molecular weight
188: ok 1173 # molecular exact mass
188: ok 1174 # molecular hydrogen-added formula
188: ok 1175 # molecule + hydrogens weight
188: ok 1176 # molecular exact mass after hydrogen addition
188: ok 1177 # molecular formula
188: ok 1178 # molecular weight
188: ok 1179 # molecular exact mass
188: ok 1180 # molecular hydrogen-added formula
188: ok 1181 # molecule + hydrogens weight
188: ok 1182 # molecular exact mass after hydrogen addition
188: ok 1183 # molecular formula
188: ok 1184 # molecular weight
188: ok 1185 # molecular exact mass
188: ok 1186 # molecular hydrogen-added formula
188: ok 1187 # molecule + hydrogens weight
188: ok 1188 # molecular exact mass after hydrogen addition
188: ok 1189 # molecular formula
188: ok 1190 # molecular weight
188: ok 1191 # molecular exact mass
188: ok 1192 # molecular hydrogen-added formula
188: ok 1193 # molecule + hydrogens weight
188: ok 1194 # molecular exact mass after hydrogen addition
188: ok 1195 # molecular formula
188: ok 1196 # molecular weight
188: ok 1197 # molecular exact mass
188: ok 1198 # molecular hydrogen-added formula
188: ok 1199 # molecule + hydrogens weight
188: ok 1200 # molecular exact mass after hydrogen addition
188: ok 1201 # molecular formula
188: ok 1202 # molecular weight
188: ok 1203 # molecular exact mass
188: ok 1204 # molecular hydrogen-added formula
188: ok 1205 # molecule + hydrogens weight
188: ok 1206 # molecular exact mass after hydrogen addition
188: ok 1207 # molecular formula
188: ok 1208 # molecular weight
188: ok 1209 # molecular exact mass
188: ok 1210 # molecular hydrogen-added formula
188: ok 1211 # molecule + hydrogens weight
188: ok 1212 # molecular exact mass after hydrogen addition
188: ok 1213 # molecular formula
188: ok 1214 # molecular weight
188: ok 1215 # molecular exact mass
188: ok 1216 # molecular hydrogen-added formula
188: ok 1217 # molecule + hydrogens weight
188: ok 1218 # molecular exact mass after hydrogen addition
188: ok 1219 # molecular formula
188: ok 1220 # molecular weight
188: ok 1221 # molecular exact mass
188: ok 1222 # molecular hydrogen-added formula
188: ok 1223 # molecule + hydrogens weight
188: ok 1224 # molecular exact mass after hydrogen addition
188: ok 1225 # molecular formula
188: ok 1226 # molecular weight
188: ok 1227 # molecular exact mass
188: ok 1228 # molecular hydrogen-added formula
188: ok 1229 # molecule + hydrogens weight
188: ok 1230 # molecular exact mass after hydrogen addition
188: ok 1231 # molecular formula
188: ok 1232 # molecular weight
188: ok 1233 # molecular exact mass
188: ok 1234 # molecular hydrogen-added formula
188: ok 1235 # molecule + hydrogens weight
188: ok 1236 # molecular exact mass after hydrogen addition
188: ok 1237 # molecular formula
188: ok 1238 # molecular weight
188: ok 1239 # molecular exact mass
188: ok 1240 # molecular hydrogen-added formula
188: ok 1241 # molecule + hydrogens weight
188: ok 1242 # molecular exact mass after hydrogen addition
188: ok 1243 # molecular formula
188: ok 1244 # molecular weight
188: ok 1245 # molecular exact mass
188: ok 1246 # molecular hydrogen-added formula
188: ok 1247 # molecule + hydrogens weight
188: ok 1248 # molecular exact mass after hydrogen addition
188: ok 1249 # molecular formula
188: ok 1250 # molecular weight
188: ok 1251 # molecular exact mass
188: ok 1252 # molecular hydrogen-added formula
188: ok 1253 # molecule + hydrogens weight
188: ok 1254 # molecular exact mass after hydrogen addition
188: ok 1255 # molecular formula
188: ok 1256 # molecular weight
188: ok 1257 # molecular exact mass
188: ok 1258 # molecular hydrogen-added formula
188: ok 1259 # molecule + hydrogens weight
188: ok 1260 # molecular exact mass after hydrogen addition
188: ok 1261 # molecular formula
188: ok 1262 # molecular weight
188: ok 1263 # molecular exact mass
188: ok 1264 # molecular hydrogen-added formula
188: ok 1265 # molecule + hydrogens weight
188: ok 1266 # molecular exact mass after hydrogen addition
188: ok 1267 # molecular formula
188: ok 1268 # molecular weight
188: ok 1269 # molecular exact mass
188: ok 1270 # molecular hydrogen-added formula
188: ok 1271 # molecule + hydrogens weight
188: ok 1272 # molecular exact mass after hydrogen addition
188: ok 1273 # molecular formula
188: ok 1274 # molecular weight
188: ok 1275 # molecular exact mass
188: ok 1276 # molecular hydrogen-added formula
188: ok 1277 # molecule + hydrogens weight
188: ok 1278 # molecular exact mass after hydrogen addition
188: ok 1279 # molecular formula
188: ok 1280 # molecular weight
188: ok 1281 # molecular exact mass
188: ok 1282 # molecular hydrogen-added formula
188: ok 1283 # molecule + hydrogens weight
188: ok 1284 # molecular exact mass after hydrogen addition
188: ok 1285 # molecular formula
188: ok 1286 # molecular weight
188: ok 1287 # molecular exact mass
188: ok 1288 # molecular hydrogen-added formula
188: ok 1289 # molecule + hydrogens weight
188: ok 1290 # molecular exact mass after hydrogen addition
188: ok 1291 # molecular formula
188: ok 1292 # molecular weight
188: ok 1293 # molecular exact mass
188: ok 1294 # molecular hydrogen-added formula
188: ok 1295 # molecule + hydrogens weight
188: ok 1296 # molecular exact mass after hydrogen addition
188: ok 1297 # molecular formula
188: ok 1298 # molecular weight
188: ok 1299 # molecular exact mass
188: ok 1300 # molecular hydrogen-added formula
188: ok 1301 # molecule + hydrogens weight
188: ok 1302 # molecular exact mass after hydrogen addition
188: ok 1303 # molecular formula
188: ok 1304 # molecular weight
188: ok 1305 # molecular exact mass
188: ok 1306 # molecular hydrogen-added formula
188: ok 1307 # molecule + hydrogens weight
188: ok 1308 # molecular exact mass after hydrogen addition
188: ok 1309 # molecular formula
188: ok 1310 # molecular weight
188: ok 1311 # molecular exact mass
188: ok 1312 # molecular hydrogen-added formula
188: ok 1313 # molecule + hydrogens weight
188: ok 1314 # molecular exact mass after hydrogen addition
188: ok 1315 # molecular formula
188: ok 1316 # molecular weight
188: ok 1317 # molecular exact mass
188: ok 1318 # molecular hydrogen-added formula
188: ok 1319 # molecule + hydrogens weight
188: ok 1320 # molecular exact mass after hydrogen addition
188: ok 1321 # molecular formula
188: ok 1322 # molecular weight
188: ok 1323 # molecular exact mass
188: ok 1324 # molecular hydrogen-added formula
188: ok 1325 # molecule + hydrogens weight
188: ok 1326 # molecular exact mass after hydrogen addition
188: ok 1327 # molecular formula
188: ok 1328 # molecular weight
188: ok 1329 # molecular exact mass
188: ok 1330 # molecular hydrogen-added formula
188: ok 1331 # molecule + hydrogens weight
188: ok 1332 # molecular exact mass after hydrogen addition
188: ok 1333 # molecular formula
188: ok 1334 # molecular weight
188: ok 1335 # molecular exact mass
188: ok 1336 # molecular hydrogen-added formula
188: ok 1337 # molecule + hydrogens weight
188: ok 1338 # molecular exact mass after hydrogen addition
188: ok 1339 # molecular formula
188: ok 1340 # molecular weight
188: ok 1341 # molecular exact mass
188: ok 1342 # molecular hydrogen-added formula
188: ok 1343 # molecule + hydrogens weight
188: ok 1344 # molecular exact mass after hydrogen addition
188: ok 1345 # molecular formula
188: ok 1346 # molecular weight
188: ok 1347 # molecular exact mass
188: ok 1348 # molecular hydrogen-added formula
188: ok 1349 # molecule + hydrogens weight
188: ok 1350 # molecular exact mass after hydrogen addition
188: ok 1351 # molecular formula
188: ok 1352 # molecular weight
188: ok 1353 # molecular exact mass
188: ok 1354 # molecular hydrogen-added formula
188: ok 1355 # molecule + hydrogens weight
188: ok 1356 # molecular exact mass after hydrogen addition
188: ok 1357 # molecular formula
188: ok 1358 # molecular weight
188: ok 1359 # molecular exact mass
188: ok 1360 # molecular hydrogen-added formula
188: ok 1361 # molecule + hydrogens weight
188: ok 1362 # molecular exact mass after hydrogen addition
188: ok 1363 # molecular formula
188: ok 1364 # molecular weight
188: ok 1365 # molecular exact mass
188: ok 1366 # molecular hydrogen-added formula
188: ok 1367 # molecule + hydrogens weight
188: ok 1368 # molecular exact mass after hydrogen addition
188: ok 1369 # molecular formula
188: ok 1370 # molecular weight
188: ok 1371 # molecular exact mass
188: ok 1372 # molecular hydrogen-added formula
188: ok 1373 # molecule + hydrogens weight
188: ok 1374 # molecular exact mass after hydrogen addition
188: ok 1375 # molecular formula
188: ok 1376 # molecular weight
188: ok 1377 # molecular exact mass
188: ok 1378 # molecular hydrogen-added formula
188: ok 1379 # molecule + hydrogens weight
188: ok 1380 # molecular exact mass after hydrogen addition
188: ok 1381 # molecular formula
188: ok 1382 # molecular weight
188: ok 1383 # molecular exact mass
188: ok 1384 # molecular hydrogen-added formula
188: ok 1385 # molecule + hydrogens weight
188: ok 1386 # molecular exact mass after hydrogen addition
188: ok 1387 # molecular formula
188: ok 1388 # molecular weight
188: ok 1389 # molecular exact mass
188: ok 1390 # molecular hydrogen-added formula
188: ok 1391 # molecule + hydrogens weight
188: ok 1392 # molecular exact mass after hydrogen addition
188: ok 1393 # molecular formula
188: ok 1394 # molecular weight
188: ok 1395 # molecular exact mass
188: ok 1396 # molecular hydrogen-added formula
188: ok 1397 # molecule + hydrogens weight
188: ok 1398 # molecular exact mass after hydrogen addition
188: ok 1399 # molecular formula
188: ok 1400 # molecular weight
188: ok 1401 # molecular exact mass
188: ok 1402 # molecular hydrogen-added formula
188: ok 1403 # molecule + hydrogens weight
188: ok 1404 # molecular exact mass after hydrogen addition
188: ok 1405 # molecular formula
188: ok 1406 # molecular weight
188: ok 1407 # molecular exact mass
188: ok 1408 # molecular hydrogen-added formula
188: ok 1409 # molecule + hydrogens weight
188: ok 1410 # molecular exact mass after hydrogen addition
188: ok 1411 # molecular formula
188: ok 1412 # molecular weight
188: ok 1413 # molecular exact mass
188: ok 1414 # molecular hydrogen-added formula
188: ok 1415 # molecule + hydrogens weight
188: ok 1416 # molecular exact mass after hydrogen addition
188: ok 1417 # molecular formula
188: ok 1418 # molecular weight
188: ok 1419 # molecular exact mass
188: ok 1420 # molecular hydrogen-added formula
188: ok 1421 # molecule + hydrogens weight
188: ok 1422 # molecular exact mass after hydrogen addition
188: ok 1423 # molecular formula
188: ok 1424 # molecular weight
188: ok 1425 # molecular exact mass
188: ok 1426 # molecular hydrogen-added formula
188: ok 1427 # molecule + hydrogens weight
188: ok 1428 # molecular exact mass after hydrogen addition
188: ok 1429 # molecular formula
188: ok 1430 # molecular weight
188: ok 1431 # molecular exact mass
188: ok 1432 # molecular hydrogen-added formula
188: ok 1433 # molecule + hydrogens weight
188: ok 1434 # molecular exact mass after hydrogen addition
188: ok 1435 # molecular formula
188: ok 1436 # molecular weight
188: ok 1437 # molecular exact mass
188: ok 1438 # molecular hydrogen-added formula
188: ok 1439 # molecule + hydrogens weight
188: ok 1440 # molecular exact mass after hydrogen addition
188: ok 1441 # molecular formula
188: ok 1442 # molecular weight
188: ok 1443 # molecular exact mass
188: ok 1444 # molecular hydrogen-added formula
188: ok 1445 # molecule + hydrogens weight
188: ok 1446 # molecular exact mass after hydrogen addition
188: ok 1447 # molecular formula
188: ok 1448 # molecular weight
188: ok 1449 # molecular exact mass
188: ok 1450 # molecular hydrogen-added formula
188: ok 1451 # molecule + hydrogens weight
188: ok 1452 # molecular exact mass after hydrogen addition
188: ok 1453 # molecular formula
188: ok 1454 # molecular weight
188: ok 1455 # molecular exact mass
188: ok 1456 # molecular hydrogen-added formula
188: ok 1457 # molecule + hydrogens weight
188: ok 1458 # molecular exact mass after hydrogen addition
188: ok 1459 # molecular formula
188: ok 1460 # molecular weight
188: ok 1461 # molecular exact mass
188: ok 1462 # molecular hydrogen-added formula
188: ok 1463 # molecule + hydrogens weight
188: ok 1464 # molecular exact mass after hydrogen addition
188: ok 1465 # molecular formula
188: ok 1466 # molecular weight
188: ok 1467 # molecular exact mass
188: ok 1468 # molecular hydrogen-added formula
188: ok 1469 # molecule + hydrogens weight
188: ok 1470 # molecular exact mass after hydrogen addition
188: ok 1471 # molecular formula
188: ok 1472 # molecular weight
188: ok 1473 # molecular exact mass
188: ok 1474 # molecular hydrogen-added formula
188: ok 1475 # molecule + hydrogens weight
188: ok 1476 # molecular exact mass after hydrogen addition
188: ok 1477 # molecular formula
188: ok 1478 # molecular weight
188: ok 1479 # molecular exact mass
188: ok 1480 # molecular hydrogen-added formula
188: ok 1481 # molecule + hydrogens weight
188: ok 1482 # molecular exact mass after hydrogen addition
188: ok 1483 # molecular formula
188: ok 1484 # molecular weight
188: ok 1485 # molecular exact mass
188: ok 1486 # molecular hydrogen-added formula
188: ok 1487 # molecule + hydrogens weight
188: ok 1488 # molecular exact mass after hydrogen addition
188: ok 1489 # molecular formula
188: ok 1490 # molecular weight
188: ok 1491 # molecular exact mass
188: ok 1492 # molecular hydrogen-added formula
188: ok 1493 # molecule + hydrogens weight
188: ok 1494 # molecular exact mass after hydrogen addition
188: ok 1495 # molecular formula
188: ok 1496 # molecular weight
188: ok 1497 # molecular exact mass
188: ok 1498 # molecular hydrogen-added formula
188: ok 1499 # molecule + hydrogens weight
188: ok 1500 # molecular exact mass after hydrogen addition
188: ok 1501 # molecular formula
188: ok 1502 # molecular weight
188: ok 1503 # molecular exact mass
188: ok 1504 # molecular hydrogen-added formula
188: ok 1505 # molecule + hydrogens weight
188: ok 1506 # molecular exact mass after hydrogen addition
188: ok 1507 # molecular formula
188: ok 1508 # molecular weight
188: ok 1509 # molecular exact mass
188: ok 1510 # molecular hydrogen-added formula
188: ok 1511 # molecule + hydrogens weight
188: ok 1512 # molecular exact mass after hydrogen addition
188: ok 1513 # molecular formula
188: ok 1514 # molecular weight
188: ok 1515 # molecular exact mass
188: ok 1516 # molecular hydrogen-added formula
188: ok 1517 # molecule + hydrogens weight
188: ok 1518 # molecular exact mass after hydrogen addition
188: ok 1519 # molecular formula
188: ok 1520 # molecular weight
188: ok 1521 # molecular exact mass
188: ok 1522 # molecular hydrogen-added formula
188: ok 1523 # molecule + hydrogens weight
188: ok 1524 # molecular exact mass after hydrogen addition
188: ok 1525 # molecular formula
188: ok 1526 # molecular weight
188: ok 1527 # molecular exact mass
188: ok 1528 # molecular hydrogen-added formula
188: ok 1529 # molecule + hydrogens weight
188: ok 1530 # molecular exact mass after hydrogen addition
188: ok 1531 # molecular formula
188: ok 1532 # molecular weight
188: ok 1533 # molecular exact mass
188: ok 1534 # molecular hydrogen-added formula
188: ok 1535 # molecule + hydrogens weight
188: ok 1536 # molecular exact mass after hydrogen addition
188: ok 1537 # molecular formula
188: ok 1538 # molecular weight
188: ok 1539 # molecular exact mass
188: ok 1540 # molecular hydrogen-added formula
188: ok 1541 # molecule + hydrogens weight
188: ok 1542 # molecular exact mass after hydrogen addition
188: ok 1543 # molecular formula
188: ok 1544 # molecular weight
188: ok 1545 # molecular exact mass
188: ok 1546 # molecular hydrogen-added formula
188: ok 1547 # molecule + hydrogens weight
188: ok 1548 # molecular exact mass after hydrogen addition
188: ok 1549 # molecular formula
188: ok 1550 # molecular weight
188: ok 1551 # molecular exact mass
188: ok 1552 # molecular hydrogen-added formula
188: ok 1553 # molecule + hydrogens weight
188: ok 1554 # molecular exact mass after hydrogen addition
188: ok 1555 # molecular formula
188: ok 1556 # molecular weight
188: ok 1557 # molecular exact mass
188: ok 1558 # molecular hydrogen-added formula
188: ok 1559 # molecule + hydrogens weight
188: ok 1560 # molecular exact mass after hydrogen addition
188: ok 1561 # molecular formula
188: ok 1562 # molecular weight
188: ok 1563 # molecular exact mass
188: ok 1564 # molecular hydrogen-added formula
188: ok 1565 # molecule + hydrogens weight
188: ok 1566 # molecular exact mass after hydrogen addition
188: ok 1567 # molecular formula
188: ok 1568 # molecular weight
188: ok 1569 # molecular exact mass
188: ok 1570 # molecular hydrogen-added formula
188: ok 1571 # molecule + hydrogens weight
188: ok 1572 # molecular exact mass after hydrogen addition
188: ok 1573 # molecular formula
188: ok 1574 # molecular weight
188: ok 1575 # molecular exact mass
188: ok 1576 # molecular hydrogen-added formula
188: ok 1577 # molecule + hydrogens weight
188: ok 1578 # molecular exact mass after hydrogen addition
188: ok 1579 # molecular formula
188: ok 1580 # molecular weight
188: ok 1581 # molecular exact mass
188: ok 1582 # molecular hydrogen-added formula
188: ok 1583 # molecule + hydrogens weight
188: ok 1584 # molecular exact mass after hydrogen addition
188: ok 1585 # molecular formula
188: ok 1586 # molecular weight
188: ok 1587 # molecular exact mass
188: ok 1588 # molecular hydrogen-added formula
188: ok 1589 # molecule + hydrogens weight
188: ok 1590 # molecular exact mass after hydrogen addition
188: ok 1591 # molecular formula
188: ok 1592 # molecular weight
188: ok 1593 # molecular exact mass
188: ok 1594 # molecular hydrogen-added formula
188: ok 1595 # molecule + hydrogens weight
188: ok 1596 # molecular exact mass after hydrogen addition
188: ok 1597 # molecular formula
188: ok 1598 # molecular weight
188: ok 1599 # molecular exact mass
188: ok 1600 # molecular hydrogen-added formula
188: ok 1601 # molecule + hydrogens weight
188: ok 1602 # molecular exact mass after hydrogen addition
188: ok 1603 # molecular formula
188: ok 1604 # molecular weight
188: ok 1605 # molecular exact mass
188: ok 1606 # molecular hydrogen-added formula
188: ok 1607 # molecule + hydrogens weight
188: ok 1608 # molecular exact mass after hydrogen addition
188: ok 1609 # molecular formula
188: ok 1610 # molecular weight
188: ok 1611 # molecular exact mass
188: ok 1612 # molecular hydrogen-added formula
188: ok 1613 # molecule + hydrogens weight
188: ok 1614 # molecular exact mass after hydrogen addition
188: ok 1615 # molecular formula
188: ok 1616 # molecular weight
188: ok 1617 # molecular exact mass
188: ok 1618 # molecular hydrogen-added formula
188: ok 1619 # molecule + hydrogens weight
188: ok 1620 # molecular exact mass after hydrogen addition
188: ok 1621 # molecular formula
188: ok 1622 # molecular weight
188: ok 1623 # molecular exact mass
188: ok 1624 # molecular hydrogen-added formula
188: ok 1625 # molecule + hydrogens weight
188: ok 1626 # molecular exact mass after hydrogen addition
188: ok 1627 # molecular formula
188: ok 1628 # molecular weight
188: ok 1629 # molecular exact mass
188: ok 1630 # molecular hydrogen-added formula
188: ok 1631 # molecule + hydrogens weight
188: ok 1632 # molecular exact mass after hydrogen addition
188: 1..1632
179: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
179:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
179:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
185/229 Test #188: test_formula_1 ...................   Passed    1.47 sec
test 189
        Start 189: test_internalcoord_1

189: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "internalcoord" "1"
189: Environment variables: 
189:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
189:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
189: Test timeout computed to be: 1500
189: # Unit tests for z-matrix conversion 
189: 1..2
189: ok 1
189: ok 2
186/229 Test #189: test_internalcoord_1 .............   Passed    0.10 sec
test 190
        Start 190: test_invalidsmarts_1

190: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "invalidsmarts" "1"
190: Environment variables: 
190:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
190:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
190: Test timeout computed to be: 1500
181:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
181:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
181:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
181:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
181:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
181:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
181:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
181:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
181:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
190: # Testing invalid SMARTS parsing...
190: ok 1
190: ok 2
190: ok 3
190: ok 4
190: ok 5
190: ok 6
190: ok 7
190: ok 8
190: ok 9
190: ok 10
190: ok 11
190: ok 12
190: ok 13
190: ok 14
190: ok 15
190: ok 16
190: ok 17
190: ok 18
190: ok 19
190: ok 20 # random data #1 
190: # read 104188
190: ok 21 # random data #2 
190: # read 77768
190: ok 22 # random data #3 
190: # read 100058
190: 1..22
187/229 Test #190: test_invalidsmarts_1 .............   Passed    0.14 sec
test 191
        Start 191: test_invalidsmiles_1

191: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "invalidsmiles" "1"
191: Environment variables: 
191:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
191:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
191: Test timeout computed to be: 1500
191: Usage: invalid-smiles
191:    Tests Open Babel SMILES parsing - rejecting invalid patterns.
188/229 Test #191: test_invalidsmiles_1 .............   Passed    0.12 sec
test 192
        Start 192: test_iterators_1

192: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "iterators" "1"
192: Environment variables: 
192:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
192:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
192: Test timeout computed to be: 1500
192: 
192: # Testing iterators...  
192: ok 1
192: ok 2
192: ok 3
192: ok 4
192: ok 5
192: ok 6
192: ok 7
192: ok 8
192: ok 9
192: ok 10
192: ok 11
192: ok 12
192: ok 13
192: ok 14
192: ok 15
192: ok 16
192: ok 17
192: ok 18
192: ok 19
192: ok 20
192: ok 21
192: ok 22
192: ok 23
192: ok 24
192: ok 25
192: ok 26
192: ok 27
192: ok 28
192: ok 29
192: ok 30
192: ok 31
192: ok 32
192: ok 33
192: ok 34
192: ok 35
192: ok 36
192: ok 37
192: ok 38
192: ok 39
192: ok 40
192: ok 41
192: ok 42
192: ok 43
192: ok 44
192: ok 45
192: ok 46
192: ok 47
192: ok 48
192: ok 49
192: ok 50
192: ok 51
192: ok 52
192: ok 53
192: ok 54
192: ok 55
192: ok 56
192: ok 57
192: ok 58
192: ok 59
192: ok 60
192: ok 61
192: ok 62
192: ok 63
192: ok 64
192: ok 65
192: ok 66
192: ok 67
192: ok 68
192: ok 69
192: ok 70
192: ok 71
192: ok 72
192: ok 73
192: ok 74
192: ok 75
192: ok 76
192: ok 77
192: ok 78
192: ok 79
192: ok 80
192: ok 81
192: ok 82
192: ok 83
192: ok 84
192: ok 85
192: ok 86
192: ok 87
192: ok 88
192: ok 89
192: ok 90
192: ok 91
192: ok 92
192: ok 93
192: ok 94
192: ok 95
192: ok 96
192: ok 97
192: ok 98
192: ok 99
192: ok 100
192: ok 101
192: ok 102
192: ok 103
192: ok 104
192: ok 105
192: ok 106
192: ok 107
192: ok 108
192: ok 109
192: ok 110
192: ok 111
192: ok 112
192: ok 113
192: ok 114
192: ok 115
192: ok 116
192: ok 117
192: ok 118
192: ok 119
192: ok 120
192: ok 121
192: ok 122
192: ok 123
192: ok 124
192: ok 125
192: ok 126
192: ok 127
192: ok 128
192: ok 129
192: ok 130
192: ok 131
192: ok 132
192: ok 133
192: ok 134
192: ok 135
192: ok 136
192: ok 137
192: ok 138
192: ok 139
192: ok 140
192: ok 141
192: ok 142
192: ok 143
192: ok 144
192: ok 145
192: ok 146
192: ok 147
192: ok 148
192: ok 149
192: ok 150
192: ok 151
192: ok 152
192: ok 153
192: ok 154
192: ok 155
192: ok 156
192: ok 157
192: ok 158
192: ok 159
192: ok 160
192: ok 161
192: ok 162
192: ok 163
192: ok 164
192: ok 165
192: ok 166
192: ok 167
192: ok 168
192: ok 169
192: ok 170
192: ok 171
192: ok 172
192: ok 173
192: ok 174
192: ok 175
192: ok 176
192: ok 177
192: ok 178
192: ok 179
192: ok 180
192: ok 181
192: ok 182
192: ok 183
192: ok 184
192: ok 185
192: ok 186
192: ok 187
192: ok 188
192: ok 189
192: ok 190
192: ok 191
192: ok 192
192: ok 193
192: ok 194
192: ok 195
192: ok 196
192: ok 197
192: ok 198
192: ok 199
192: ok 200
192: ok 201
192: ok 202
192: ok 203
192: ok 204
192: ok 205
192: ok 206
192: ok 207
192: ok 208
192: ok 209
192: ok 210
192: ok 211
192: ok 212
192: ok 213
192: ok 214
192: ok 215
192: ok 216
192: ok 217
192: ok 218
192: ok 219
192: ok 220
192: ok 221
192: ok 222
192: ok 223
192: ok 224
192: ok 225
192: ok 226
192: ok 227
192: ok 228
192: ok 229
192: ok 230
192: ok 231
192: ok 232
192: ok 233
192: ok 234
192: ok 235
192: ok 236
192: ok 237
192: ok 238
192: ok 239
192: ok 240
192: ok 241
192: ok 242
192: ok 243
192: ok 244
192: ok 245
192: ok 246
192: ok 247
192: ok 248
192: ok 249
192: ok 250
192: ok 251
192: ok 252
192: ok 253
192: ok 254
192: ok 255
192: ok 256
192: ok 257
192: ok 258
192: ok 259
192: ok 260
192: ok 261
192: ok 262
192: ok 263
192: ok 264
192: ok 265
192: ok 266
192: ok 267
192: ok 268
192: ok 269
192: ok 270
192: ok 271
192: ok 272
192: ok 273
192: ok 274
192: ok 275
192: ok 276
192: ok 277
192: ok 278
192: ok 279
192: ok 280
192: ok 281
192: ok 282
192: ok 283
192: ok 284
192: ok 285
192: ok 286
192: ok 287
192: ok 288
192: ok 289
192: ok 290
192: ok 291
192: ok 292
192: ok 293
192: ok 294
192: ok 295
192: ok 296
192: ok 297
192: ok 298
192: ok 299
192: ok 300
192: ok 301
192: ok 302
192: ok 303
192: ok 304
192: ok 305
192: ok 306
192: ok 307
192: ok 308
192: ok 309
192: ok 310
192: ok 311
192: ok 312
192: ok 313
192: ok 314
192: ok 315
192: ok 316
192: ok 317
192: ok 318
192: ok 319
192: ok 320
192: ok 321
192: ok 322
192: ok 323
192: ok 324
192: ok 325
192: ok 326
192: ok 327
192: ok 328
192: ok 329
192: ok 330
192: ok 331
192: ok 332
192: ok 333
192: ok 334
192: ok 335
192: ok 336
192: ok 337
192: ok 338
192: ok 339
192: ok 340
192: ok 341
192: ok 342
192: ok 343
192: ok 344
192: ok 345
192: ok 346
192: ok 347
192: ok 348
192: ok 349
192: ok 350
192: ok 351
192: ok 352
192: ok 353
192: ok 354
192: ok 355
192: ok 356
192: ok 357
192: ok 358
192: ok 359
192: ok 360
192: ok 361
192: ok 362
192: ok 363
192: ok 364
192: ok 365
192: ok 366
192: ok 367
192: ok 368
192: ok 369
192: ok 370
192: ok 371
192: ok 372
192: ok 373
192: ok 374
192: ok 375
192: ok 376
192: ok 377
192: ok 378
192: ok 379
192: ok 380
192: ok 381
192: ok 382
192: ok 383
192: ok 384
192: ok 385
192: ok 386
192: ok 387
192: ok 388
192: ok 389
192: ok 390
192: ok 391
192: ok 392
192: ok 393
192: ok 394
192: ok 395
192: ok 396
192: ok 397
192: ok 398
192: ok 399
192: ok 400
192: ok 401
192: ok 402
192: ok 403
192: ok 404
192: ok 405
192: ok 406
192: ok 407
192: ok 408
192: ok 409
192: ok 410
192: ok 411
192: ok 412
192: ok 413
192: ok 414
192: ok 415
192: ok 416
192: ok 417
192: ok 418
192: ok 419
192: ok 420
192: ok 421
192: ok 422
192: ok 423
192: ok 424
192: ok 425
192: ok 426
192: ok 427
192: ok 428
192: ok 429
192: ok 430
192: ok 431
192: ok 432
192: ok 433
192: ok 434
192: ok 435
192: ok 436
192: ok 437
192: ok 438
192: ok 439
192: ok 440
192: ok 441
192: ok 442
192: ok 443
192: ok 444
192: ok 445
192: ok 446
192: ok 447
192: ok 448
192: ok 449
192: ok 450
192: ok 451
192: ok 452
192: ok 453
192: ok 454
192: ok 455
192: ok 456
192: ok 457
192: ok 458
192: ok 459
192: ok 460
192: ok 461
192: ok 462
192: ok 463
192: ok 464
192: ok 465
192: ok 466
192: ok 467
192: ok 468
192: ok 469
192: ok 470
192: ok 471
192: ok 472
192: ok 473
192: ok 474
192: ok 475
192: ok 476
192: ok 477
192: ok 478
192: ok 479
192: ok 480
192: ok 481
192: ok 482
192: ok 483
192: ok 484
192: ok 485
192: ok 486
192: ok 487
192: ok 488
192: ok 489
192: ok 490
192: ok 491
192: ok 492
192: ok 493
192: ok 494
192: ok 495
192: ok 496
192: ok 497
192: ok 498
192: ok 499
192: ok 500
192: ok 501
192: ok 502
192: ok 503
192: ok 504
192: ok 505
192: ok 506
192: ok 507
192: ok 508
192: ok 509
192: ok 510
192: ok 511
192: ok 512
192: ok 513
192: ok 514
192: ok 515
192: ok 516
192: ok 517
192: ok 518
192: ok 519
192: ok 520
192: ok 521
192: ok 522
192: ok 523
192: ok 524
192: ok 525
192: ok 526
192: ok 527
192: ok 528
192: ok 529
192: ok 530
192: ok 531
192: ok 532
192: ok 533
192: ok 534
192: ok 535
192: ok 536
192: ok 537
192: ok 538
192: ok 539
192: ok 540
192: ok 541
192: ok 542
192: ok 543
192: ok 544
192: ok 545
192: ok 546
192: ok 547
192: ok 548
192: ok 549
192: ok 550
192: ok 551
192: ok 552
192: ok 553
192: ok 554
192: ok 555
192: ok 556
192: ok 557
192: ok 558
192: ok 559
192: ok 560
192: ok 561
192: ok 562
192: ok 563
192: ok 564
192: ok 565
192: ok 566
192: ok 567
192: ok 568
192: ok 569
192: ok 570
192: ok 571
192: ok 572
192: ok 573
192: ok 574
192: ok 575
192: ok 576
192: ok 577
192: ok 578
192: ok 579
192: ok 580
192: ok 581
192: ok 582
192: ok 583
192: ok 584
192: ok 585
192: ok 586
192: ok 587
192: ok 588
192: ok 589
192: ok 590
192: ok 591
192: ok 592
192: ok 593
192: ok 594
192: ok 595
192: ok 596
192: ok 597
192: ok 598
192: ok 599
192: ok 600
192: ok 601
192: ok 602
192: ok 603
192: ok 604
192: ok 605
192: ok 606
192: ok 607
192: ok 608
192: ok 609
192: ok 610
192: ok 611
192: ok 612
192: ok 613
192: ok 614
192: ok 615
192: ok 616
192: ok 617
192: ok 618
192: ok 619
192: ok 620
192: ok 621
192: ok 622
192: ok 623
192: ok 624
192: ok 625
192: ok 626
192: ok 627
192: ok 628
192: ok 629
192: ok 630
192: ok 631
192: ok 632
192: ok 633
192: ok 634
192: ok 635
192: ok 636
192: ok 637
192: ok 638
192: ok 639
192: ok 640
192: ok 641
192: ok 642
192: ok 643
192: ok 644
192: ok 645
192: ok 646
192: ok 647
192: ok 648
192: ok 649
192: ok 650
192: ok 651
192: ok 652
192: ok 653
192: ok 654
192: ok 655
192: ok 656
192: ok 657
192: ok 658
192: ok 659
192: ok 660
192: ok 661
192: ok 662
192: ok 663
192: ok 664
192: ok 665
192: ok 666
192: ok 667
192: ok 668
192: ok 669
192: ok 670
192: ok 671
192: ok 672
192: ok 673
192: ok 674
192: ok 675
192: ok 676
192: ok 677
192: ok 678
192: ok 679
192: ok 680
192: ok 681
192: ok 682
192: ok 683
192: ok 684
192: ok 685
192: ok 686
192: ok 687
192: ok 688
192: ok 689
192: ok 690
192: ok 691
192: ok 692
192: ok 693
192: ok 694
192: ok 695
192: ok 696
192: ok 697
192: ok 698
192: ok 699
192: ok 700
192: ok 701
192: ok 702
192: ok 703
192: ok 704
192: ok 705
192: ok 706
192: ok 707
192: ok 708
192: ok 709
192: ok 710
192: ok 711
192: ok 712
192: ok 713
192: ok 714
192: ok 715
192: ok 716
192: ok 717
192: ok 718
192: ok 719
192: ok 720
192: ok 721
192: ok 722
192: ok 723
192: ok 724
192: ok 725
192: ok 726
192: ok 727
192: ok 728
192: ok 729
192: ok 730
192: ok 731
192: ok 732
192: ok 733
192: ok 734
192: ok 735
192: ok 736
192: ok 737
192: ok 738
192: ok 739
192: ok 740
192: ok 741
192: ok 742
192: ok 743
192: ok 744
192: ok 745
192: ok 746
192: ok 747
192: ok 748
192: ok 749
192: ok 750
192: ok 751
192: ok 752
192: ok 753
192: ok 754
192: ok 755
192: ok 756
192: ok 757
192: ok 758
192: ok 759
192: ok 760
192: ok 761
192: ok 762
192: ok 763
192: ok 764
192: ok 765
192: ok 766
192: ok 767
192: ok 768
192: ok 769
192: ok 770
192: ok 771
192: ok 772
192: ok 773
192: ok 774
192: ok 775
192: ok 776
192: ok 777
192: ok 778
192: ok 779
192: ok 780
192: ok 781
192: ok 782
192: ok 783
192: ok 784
192: ok 785
192: ok 786
192: ok 787
192: ok 788
192: ok 789
192: ok 790
192: ok 791
192: ok 792
192: ok 793
192: ok 794
192: ok 795
192: ok 796
192: ok 797
192: ok 798
192: ok 799
192: ok 800
192: ok 801
192: ok 802
192: ok 803
192: ok 804
192: ok 805
192: ok 806
192: ok 807
192: ok 808
192: ok 809
192: ok 810
192: ok 811
192: ok 812
192: ok 813
192: ok 814
192: ok 815
192: ok 816
192: ok 817
192: ok 818
192: ok 819
192: ok 820
192: ok 821
192: ok 822
192: ok 823
192: ok 824
192: ok 825
192: ok 826
192: ok 827
192: ok 828
192: ok 829
192: ok 830
192: ok 831
192: ok 832
192: ok 833
192: ok 834
192: ok 835
192: ok 836
192: ok 837
192: ok 838
192: ok 839
192: ok 840
192: ok 841
192: ok 842
192: ok 843
192: ok 844
192: ok 845
192: ok 846
192: ok 847
192: ok 848
192: ok 849
192: ok 850
192: ok 851
192: ok 852
192: ok 853
192: ok 854
192: ok 855
192: ok 856
192: ok 857
192: ok 858
192: ok 859
192: ok 860
192: ok 861
192: ok 862
192: ok 863
192: ok 864
192: ok 865
192: ok 866
192: ok 867
192: ok 868
192: ok 869
192: ok 870
192: ok 871
192: ok 872
192: ok 873
192: ok 874
192: ok 875
192: ok 876
192: ok 877
192: ok 878
192: ok 879
192: ok 880
192: ok 881
192: ok 882
192: ok 883
192: ok 884
192: ok 885
192: ok 886
192: ok 887
192: ok 888
192: ok 889
192: ok 890
192: ok 891
192: ok 892
192: ok 893
192: ok 894
192: ok 895
192: ok 896
192: ok 897
192: ok 898
192: ok 899
192: ok 900
192: ok 901
192: ok 902
192: ok 903
192: ok 904
192: ok 905
192: ok 906
192: ok 907
192: ok 908
192: ok 909
192: ok 910
192: ok 911
192: ok 912
192: ok 913
192: ok 914
192: ok 915
192: ok 916
192: ok 917
192: ok 918
192: ok 919
192: ok 920
192: ok 921
192: ok 922
192: ok 923
192: ok 924
192: ok 925
192: ok 926
192: ok 927
192: ok 928
192: ok 929
192: ok 930
192: ok 931
192: ok 932
192: ok 933
192: ok 934
192: ok 935
192: ok 936
192: ok 937
192: ok 938
192: ok 939
192: ok 940
192: ok 941
192: ok 942
192: ok 943
192: ok 944
192: ok 945
192: ok 946
192: ok 947
192: ok 948
192: ok 949
192: ok 950
192: ok 951
192: ok 952
192: ok 953
192: ok 954
192: ok 955
192: ok 956
192: ok 957
192: ok 958
192: ok 959
192: ok 960
192: ok 961
192: ok 962
192: ok 963
192: ok 964
192: ok 965
192: ok 966
192: ok 967
192: ok 968
192: ok 969
192: ok 970
192: ok 971
192: ok 972
192: ok 973
192: ok 974
192: ok 975
192: ok 976
192: ok 977
192: ok 978
192: ok 979
192: ok 980
192: ok 981
192: ok 982
192: ok 983
192: ok 984
192: ok 985
192: ok 986
192: ok 987
192: ok 988
192: ok 989
192: ok 990
192: ok 991
192: ok 992
192: ok 993
192: ok 994
192: ok 995
192: ok 996
192: ok 997
192: ok 998
192: ok 999
192: ok 1000
192: ok 1001
192: ok 1002
192: ok 1003
192: ok 1004
192: ok 1005
192: ok 1006
192: ok 1007
192: ok 1008
192: ok 1009
192: ok 1010
192: ok 1011
192: ok 1012
192: ok 1013
192: ok 1014
192: ok 1015
192: ok 1016
192: ok 1017
192: ok 1018
192: ok 1019
192: ok 1020
192: ok 1021
192: ok 1022
192: ok 1023
192: ok 1024
192: ok 1025
192: ok 1026
192: ok 1027
192: ok 1028
192: ok 1029
192: ok 1030
192: ok 1031
192: ok 1032
192: ok 1033
192: ok 1034
192: ok 1035
192: ok 1036
192: ok 1037
192: ok 1038
192: ok 1039
192: ok 1040
192: ok 1041
192: ok 1042
192: ok 1043
192: ok 1044
192: ok 1045
192: ok 1046
192: ok 1047
192: ok 1048
192: ok 1049
192: ok 1050
192: ok 1051
192: ok 1052
192: ok 1053
192: ok 1054
192: ok 1055
192: ok 1056
192: ok 1057
192: ok 1058
192: ok 1059
192: ok 1060
192: ok 1061
192: ok 1062
192: ok 1063
192: ok 1064
192: ok 1065
192: ok 1066
192: ok 1067
192: ok 1068
192: ok 1069
192: ok 1070
192: ok 1071
192: ok 1072
192: ok 1073
192: ok 1074
192: ok 1075
192: ok 1076
192: ok 1077
192: ok 1078
192: ok 1079
192: ok 1080
192: ok 1081
192: ok 1082
192: ok 1083
192: ok 1084
192: ok 1085
192: ok 1086
192: ok 1087
192: ok 1088
192: ok 1089
192: ok 1090
192: ok 1091
192: ok 1092
192: ok 1093
192: ok 1094
192: ok 1095
192: ok 1096
192: ok 1097
192: ok 1098
192: ok 1099
192: ok 1100
192: ok 1101
192: ok 1102
192: ok 1103
192: ok 1104
192: ok 1105
192: ok 1106
192: ok 1107
192: ok 1108
192: ok 1109
192: ok 1110
192: ok 1111
192: ok 1112
192: ok 1113
192: ok 1114
192: ok 1115
192: ok 1116
192: ok 1117
192: ok 1118
192: ok 1119
192: ok 1120
192: ok 1121
192: ok 1122
192: ok 1123
192: ok 1124
192: ok 1125
192: ok 1126
192: ok 1127
192: ok 1128
192: ok 1129
192: ok 1130
192: ok 1131
192: ok 1132
192: ok 1133
192: ok 1134
192: ok 1135
192: ok 1136
192: ok 1137
192: ok 1138
192: ok 1139
192: ok 1140
192: ok 1141
192: ok 1142
192: ok 1143
192: ok 1144
192: ok 1145
192: ok 1146
192: ok 1147
192: ok 1148
192: ok 1149
192: ok 1150
192: ok 1151
192: ok 1152
192: ok 1153
192: ok 1154
192: ok 1155
192: ok 1156
192: ok 1157
192: ok 1158
192: ok 1159
192: ok 1160
192: ok 1161
192: ok 1162
192: ok 1163
192: ok 1164
192: ok 1165
192: ok 1166
192: ok 1167
192: ok 1168
192: ok 1169
192: ok 1170
192: ok 1171
192: ok 1172
192: ok 1173
192: ok 1174
192: ok 1175
192: ok 1176
192: ok 1177
192: ok 1178
192: ok 1179
192: ok 1180
192: ok 1181
192: ok 1182
192: ok 1183
192: ok 1184
192: ok 1185
192: ok 1186
192: ok 1187
192: ok 1188
192: ok 1189
192: ok 1190
192: ok 1191
192: ok 1192
192: ok 1193
192: ok 1194
192: ok 1195
192: ok 1196
192: ok 1197
192: ok 1198
192: ok 1199
192: ok 1200
192: ok 1201
192: ok 1202
192: ok 1203
192: ok 1204
192: ok 1205
192: ok 1206
192: ok 1207
192: ok 1208
192: ok 1209
192: ok 1210
192: ok 1211
192: ok 1212
192: ok 1213
192: ok 1214
192: ok 1215
192: ok 1216
192: ok 1217
192: ok 1218
192: ok 1219
192: ok 1220
192: ok 1221
192: ok 1222
192: ok 1223
192: ok 1224
192: ok 1225
192: ok 1226
192: ok 1227
192: ok 1228
192: ok 1229
192: ok 1230
192: ok 1231
192: ok 1232
192: ok 1233
192: ok 1234
192: ok 1235
192: ok 1236
192: ok 1237
192: ok 1238
192: ok 1239
192: ok 1240
192: ok 1241
192: ok 1242
192: ok 1243
192: ok 1244
192: ok 1245
192: ok 1246
192: ok 1247
192: ok 1248
192: ok 1249
192: ok 1250
192: ok 1251
192: ok 1252
192: ok 1253
192: ok 1254
192: ok 1255
192: ok 1256
192: ok 1257
192: ok 1258
192: ok 1259
192: ok 1260
192: ok 1261
192: ok 1262
192: ok 1263
192: ok 1264
192: ok 1265
192: ok 1266
192: ok 1267
192: ok 1268
192: ok 1269
192: ok 1270
192: ok 1271
192: ok 1272
192: ok 1273
192: ok 1274
192: ok 1275
192: ok 1276
192: ok 1277
192: ok 1278
192: ok 1279
192: ok 1280
192: ok 1281
192: ok 1282
192: ok 1283
192: ok 1284
192: ok 1285
192: ok 1286
192: ok 1287
192: ok 1288
192: ok 1289
192: ok 1290
192: ok 1291
192: ok 1292
192: ok 1293
192: ok 1294
192: ok 1295
192: ok 1296
192: ok 1297
192: ok 1298
192: ok 1299
192: ok 1300
192: ok 1301
192: ok 1302
192: ok 1303
192: ok 1304
192: ok 1305
192: ok 1306
192: ok 1307
192: ok 1308
192: ok 1309
192: ok 1310
192: ok 1311
192: ok 1312
192: ok 1313
192: ok 1314
192: ok 1315
192: ok 1316
192: ok 1317
192: ok 1318
192: ok 1319
192: ok 1320
192: ok 1321
192: ok 1322
192: ok 1323
192: ok 1324
192: ok 1325
192: ok 1326
192: ok 1327
192: ok 1328
192: ok 1329
192: ok 1330
192: ok 1331
192: ok 1332
192: ok 1333
192: ok 1334
192: ok 1335
192: ok 1336
192: ok 1337
192: ok 1338
192: ok 1339
192: ok 1340
192: ok 1341
192: ok 1342
192: 1..1342
189/229 Test #192: test_iterators_1 .................   Passed    0.94 sec
test 193
        Start 193: test_logp_psa_1

193: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "logp_psa" "1"
193: Environment variables: 
193:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
193:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
193: Test timeout computed to be: 1500
183:     bond    ( -6.964,  10.847,  -2.041)  ( -6.957,  10.853,  -2.041)  ( 0.09,  0.05,  0.02)
183:     angle   (  3.466, -18.735,   1.444)  (  3.468, -18.732,   1.444)  ( 0.06,  0.01,  0.03)
183:     strbnd  (  5.241,  10.045,  -1.635)  (  5.240,  10.043,  -1.635)  ( 0.02,  0.01,  0.00)
183:     torsion ( -0.277,  -0.199,   0.243)  ( -0.277,  -0.199,   0.244)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.002,   0.243,   0.879)  ( -0.003,   0.205,   0.753)  ( 0.00,  0.94, 11.08)
183:     vdw     ( -1.680,  -2.461,   0.754)  ( -1.680,  -2.461,   0.754)  ( 0.00,  0.00,  0.00)
183:     electro (  0.066,   0.037,   0.059)  (  0.066,   0.037,   0.059)  ( 0.00,  0.00,  0.00)
183: 13       ( -0.934,   4.770,   0.246)  ( -0.930,   4.786,   0.303)  ( 0.38,  0.34,  1.41)
183:     bond    ( -0.615,   7.046,  -1.142)  ( -0.607,   7.052,  -1.141)  ( 0.46,  0.08,  0.02)
183:     angle   (  9.671,  -9.830,   1.897)  (  9.673,  -9.828,   1.897)  ( 0.02,  0.02,  0.00)
183:     strbnd  (  1.450,  -2.787,   0.428)  (  1.450,  -2.788,   0.428)  ( 0.05,  0.05,  0.00)
183:     torsion ( -0.027,   0.521,  -1.869)  ( -0.027,   0.521,  -1.868)  ( 0.00,  0.00,  0.05)
183:     oop     (  0.024,  -0.050,  -0.214)  (  0.019,  -0.041,  -0.158)  ( 0.01,  0.05,  1.20)
183:     vdw     (-11.109,   9.890,   1.556)  (-11.109,   9.890,   1.556)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.327,  -0.020,  -0.411)  ( -0.327,  -0.020,  -0.411)  ( 0.00,  0.00,  0.00)
183: 14       (  6.423,  -5.117,   0.699)  (  6.432,  -5.100,   0.728)  ( 0.14,  0.33,  2.05)
183:     bond    (-12.462, -21.961,   0.624)  (-12.457, -21.955,   0.624)  ( 0.04,  0.02,  0.01)
183:     angle   ( 21.478,  16.756,  -1.059)  ( 21.481,  16.758,  -1.059)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -5.263,  -1.582,  -0.270)  ( -5.263,  -1.582,  -0.270)  ( 0.01,  0.03,  0.00)
183:     torsion ( -0.035,  -0.626,   1.222)  ( -0.035,  -0.626,   1.223)  ( 0.00,  0.00,  0.11)
183:     oop     (  0.004,  -0.049,  -0.081)  (  0.005,  -0.039,  -0.053)  ( 0.00,  0.05,  0.23)
183:     vdw     (  2.604,   2.443,   0.387)  (  2.604,   2.443,   0.387)  ( 0.00,  0.00,  0.00)
183:     electro (  0.097,  -0.098,  -0.124)  (  0.097,  -0.098,  -0.124)  ( 0.00,  0.00,  0.00)
183: 15       ( -5.131,   0.618,  -0.838)  ( -5.081,   0.621,  -0.540)  ( 0.97,  0.16, 24.88)
183:     bond    ( 11.061,   5.919,  -3.067)  ( 11.066,   5.923,  -3.067)  ( 0.04,  0.08,  0.01)
183:     angle   (-12.299, -15.141,  -0.481)  (-12.297, -15.140,  -0.481)  ( 0.02,  0.01,  0.00)
183:     strbnd  ( -3.290,   0.620,   0.718)  ( -3.290,   0.620,   0.718)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.712,  -0.073,   3.004)  ( -0.712,  -0.073,   3.005)  ( 0.00,  0.00,  0.05)
183:     oop     ( -0.261,   0.034,  -1.913)  ( -0.218,   0.030,  -1.617)  ( 1.11,  0.01, 15.44)
183:     vdw     (  0.370,   9.262,   0.830)  (  0.370,   9.262,   0.830)  ( 0.00,  0.00,  0.00)
183:     electro (  0.001,  -0.002,   0.071)  (  0.001,  -0.002,   0.071)  ( 0.00,  0.00,  0.00)
183: 16       ( -0.060,   0.192,   1.754)  ( -0.067,   0.202,   1.620)  ( 0.04,  0.20,  7.61)
183:     bond    ( 14.452, -16.403,  -3.890)  ( 14.458, -16.398,  -3.890)  ( 0.04,  0.03,  0.01)
183:     angle   (-10.953,   5.321,   1.176)  (-10.951,   5.322,   1.176)  ( 0.02,  0.03,  0.00)
183:     strbnd  (  6.693,   8.480,  -0.639)  (  6.693,   8.479,  -0.639)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.233,  -0.130,   1.677)  (  0.233,  -0.130,   1.679)  ( 0.00,  0.00,  0.08)
183:     oop     (  0.089,  -0.027,   0.816)  (  0.074,  -0.024,   0.681)  ( 0.13,  0.01, 11.01)
183:     vdw     (-10.495,   2.954,   2.887)  (-10.495,   2.954,   2.887)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.079,  -0.002,  -0.273)  ( -0.079,  -0.002,  -0.273)  ( 0.00,  0.00,  0.00)
183: 17       ( -0.394,   0.572,   1.427)  ( -0.386,   0.578,   1.432)  ( 0.31,  0.35,  0.35)
183:     bond    ( 11.943,  13.623,   0.244)  ( 11.949,  13.628,   0.244)  ( 0.05,  0.04,  0.01)
183:     angle   (  1.276,  -3.469,  -0.726)  (  1.277,  -3.467,  -0.726)  ( 0.13,  0.05,  0.00)
183:     strbnd  (  0.726,  -3.329,  -0.300)  (  0.726,  -3.330,  -0.300)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.227,  -0.156,   1.421)  (  0.227,  -0.156,   1.422)  ( 0.00,  0.00,  0.09)
183:     oop     ( -0.004,   0.002,  -0.021)  ( -0.003,   0.002,  -0.018)  ( 0.00,  0.00,  0.01)
183:     vdw     (-14.498,  -6.002,   0.935)  (-14.498,  -6.002,   0.935)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.064,  -0.097,  -0.125)  ( -0.064,  -0.097,  -0.125)  ( 0.00,  0.00,  0.00)
183: 18       ( -0.671,  -0.480,   0.669)  ( -0.666,  -0.470,   0.643)  ( 0.29,  0.48,  1.73)
183:     bond    ( -3.720,  10.016,   1.464)  ( -3.714,  10.021,   1.464)  ( 0.15,  0.06,  0.01)
183:     angle   (  3.372,   1.996,  -0.096)  (  3.374,   1.998,  -0.096)  ( 0.05,  0.09,  0.00)
183:     strbnd  (  1.201,  -0.848,  -0.145)  (  1.201,  -0.848,  -0.145)  ( 0.02,  0.01,  0.00)
183:     torsion (  0.005,  -0.001,   0.213)  (  0.005,  -0.001,   0.214)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.015,  -0.016,   0.164)  (  0.013,  -0.013,   0.137)  ( 0.00,  0.00,  0.45)
183:     vdw     ( -1.486, -11.784,  -0.891)  ( -1.486, -11.784,  -0.891)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.059,   0.157,  -0.040)  ( -0.059,   0.157,  -0.040)  ( 0.00,  0.00,  0.00)
183: 19       ( -0.361,   0.252,  -0.085)  ( -0.352,   0.256,  -0.053)  ( 0.36,  0.11,  0.27)
183:     bond    ( -3.439,  12.608,   1.190)  ( -3.434,  12.614,   1.190)  ( 0.17,  0.04,  0.02)
183:     angle   ( -7.033,   2.531,   1.010)  ( -7.031,   2.533,   1.010)  ( 0.02,  0.06,  0.01)
183:     strbnd  ( -0.939,  -6.205,  -0.494)  ( -0.939,  -6.206,  -0.494)  ( 0.02,  0.00,  0.00)
183:     torsion (  0.083,  -0.036,   0.405)  (  0.083,  -0.036,   0.406)  ( 0.00,  0.00,  0.05)
183:     oop     ( -0.015,   0.016,  -0.180)  ( -0.012,   0.013,  -0.149)  ( 0.00,  0.00,  0.55)
183:     vdw     ( 11.128,  -8.501,  -1.965)  ( 11.128,  -8.501,  -1.965)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.147,  -0.161,  -0.052)  ( -0.147,  -0.161,  -0.052)  ( 0.00,  0.00,  0.00)
183: 20       (  0.033,   0.210,  -0.198)  (  0.028,   0.218,  -0.269)  ( 0.01,  0.15,  1.41)
183:     bond    (-23.028,   1.536,   2.475)  (-23.023,   1.541,   2.475)  ( 0.02,  0.33,  0.01)
183:     angle   ( 15.846,  -1.882,  -2.254)  ( 15.848,  -1.881,  -2.254)  ( 0.01,  0.09,  0.00)
183:     strbnd  ( -4.096,   7.781,   0.817)  ( -4.097,   7.781,   0.817)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.129,   0.136,   0.405)  (  0.129,   0.136,   0.407)  ( 0.00,  0.00,  0.05)
183:     oop     (  0.078,  -0.007,   0.518)  (  0.066,  -0.007,   0.445)  ( 0.09,  0.00,  3.76)
183:     vdw     ( 11.264,  -7.207,  -2.094)  ( 11.264,  -7.207,  -2.094)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.159,  -0.145,  -0.065)  ( -0.159,  -0.145,  -0.065)  ( 0.00,  0.00,  0.00)
183: 21       (  0.580,  -0.053,  -0.235)  (  0.591,  -0.122,  -0.471)  ( 0.61,  0.37,  5.54)
183:     bond    (  7.503, -21.569,  13.282)  (  7.507, -21.565,  13.286)  ( 0.05,  0.02,  0.03)
183:     angle   ( -8.074,  14.944, -23.421)  ( -8.072,  14.947, -23.419)  ( 0.03,  0.01,  0.01)
183:     strbnd  (  2.250,   2.780,   1.796)  (  2.249,   2.779,   1.795)  ( 0.04,  0.04,  0.03)
183:     torsion ( -0.293,   1.133,   8.011)  ( -0.293,   1.133,   8.011)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.019,   0.274,   0.893)  ( -0.014,   0.200,   0.651)  ( 0.01,  2.04, 21.55)
183:     vdw     ( -0.617,   2.348,  -0.996)  ( -0.617,   2.348,  -0.996)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.170,   0.037,   0.202)  ( -0.170,   0.037,   0.202)  ( 0.00,  0.00,  0.00)
183: 22       (  0.335,  -0.174,   0.517)  (  0.341,  -0.168,   0.522)  ( 0.18,  0.10,  0.29)
183:     bond    ( 10.845,  -2.778,  -8.094)  ( 10.850,  -2.774,  -8.090)  ( 0.04,  0.15,  0.05)
183:     angle   ( -9.008,  -1.801,   6.507)  ( -9.006,  -1.799,   6.508)  ( 0.02,  0.10,  0.03)
183:     strbnd  (  0.507,  -2.141,   2.316)  (  0.507,  -2.141,   2.315)  ( 0.04,  0.02,  0.03)
183:     torsion (  0.379,   2.149,  -1.075)  (  0.379,   2.149,  -1.075)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.389,   4.398,   0.864)  ( -2.389,   4.398,   0.864)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( -0.056,  -0.173,  -0.298)  ( -0.051,  -0.167,  -0.292)  ( 0.03,  0.09,  0.18)
183:     bond    ( -9.863,  -5.250,   2.250)  ( -9.858,  -5.246,   2.255)  ( 0.04,  0.08,  0.21)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
181:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
181:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
181:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
181:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
181:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
181:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
181:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
181:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
181:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
179:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
179:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
179:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
179:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
179:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
179:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
179:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
179:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
179:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
179:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
179:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
179:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183:     angle   ( 12.507,   0.572,   0.600)  ( 12.509,   0.573,   0.602)  ( 0.02,  0.10,  0.10)
183:     strbnd  (  0.608,  -3.802,   1.723)  (  0.607,  -3.803,   1.722)  ( 0.05,  0.02,  0.03)
183:     torsion ( -1.338,   1.223,  -0.733)  ( -1.338,   1.223,  -0.733)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.970,   7.085,  -4.139)  ( -1.970,   7.085,  -4.139)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       ( -2.968,  -0.603,  -1.089)  ( -2.963,  -0.598,  -1.087)  ( 0.17,  0.31,  0.24)
183:     bond    ( -0.866, -18.509,   3.882)  ( -0.862, -18.505,   3.887)  ( 0.40,  0.02,  0.12)
183:     angle   (  5.959,  26.024,  -8.109)  (  5.962,  26.026,  -8.108)  ( 0.04,  0.01,  0.02)
183:     strbnd  (-10.525,  -2.634,   0.562)  (-10.527,  -2.635,   0.562)  ( 0.02,  0.03,  0.02)
183:     torsion ( -0.876,  -1.089,   1.253)  ( -0.876,  -1.089,   1.253)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.001,   0.002,   0.014)  ( -0.000,   0.002,   0.010)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.349,  -4.597,   0.926)  (  2.349,  -4.597,   0.926)  ( 0.01,  0.00,  0.00)
183:     electro (  0.991,   0.199,   0.382)  (  0.991,   0.199,   0.382)  ( 0.00,  0.00,  0.00)
183: 25       ( -0.014,  -0.101,  -0.165)  ( -0.009,  -0.095,  -0.159)  ( 0.01,  0.06,  0.10)
183:     bond    ( -3.870,  12.275,  -0.924)  ( -3.866,  12.279,  -0.920)  ( 0.10,  0.03,  0.41)
183:     angle   ( -5.572, -18.333,   5.423)  ( -5.570, -18.330,   5.425)  ( 0.04,  0.01,  0.03)
183:     strbnd  ( -1.114,  -2.631,  -0.165)  ( -1.115,  -2.631,  -0.166)  ( 0.10,  0.02,  0.00)
183:     torsion (  3.318,  -0.490,  -3.647)  (  3.318,  -0.490,  -3.647)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.225,   9.078,  -0.852)  (  7.225,   9.078,  -0.852)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       ( -2.572,   0.175,  -0.401)  ( -2.567,   0.181,  -0.395)  ( 0.18,  0.10,  0.23)
183:     bond    (  4.426, -15.861,  -0.954)  (  4.429, -15.857,  -0.949)  ( 0.08,  0.03,  0.45)
183:     angle   ( -8.266,  12.873,  -7.689)  ( -8.264,  12.875,  -7.687)  ( 0.02,  0.02,  0.03)
183:     strbnd  (  1.193,   5.294,   4.137)  (  1.192,   5.293,   4.136)  ( 0.07,  0.01,  0.03)
183:     torsion ( -0.164,  -0.701,   3.652)  ( -0.164,  -0.701,   3.652)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.542,  -1.377,   0.272)  ( -0.542,  -1.377,   0.272)  ( 0.01,  0.00,  0.00)
183:     electro (  0.781,  -0.052,   0.181)  (  0.781,  -0.052,   0.181)  ( 0.00,  0.00,  0.00)
183: 27       ( -0.131,   0.200,   0.315)  ( -0.126,   0.205,   0.322)  ( 0.06,  0.11,  0.19)
183:     bond    ( -1.243,  14.723,   1.076)  ( -1.239,  14.727,   1.080)  ( 0.30,  0.03,  0.41)
183:     angle   ( -2.830, -11.271,   1.923)  ( -2.828, -11.269,   1.924)  ( 0.07,  0.02,  0.10)
183:     strbnd  (  1.105,  -0.095,   0.631)  (  1.104,  -0.095,   0.630)  ( 0.10,  0.01,  0.02)
183:     torsion (  1.263,  -4.544,  -4.977)  (  1.263,  -4.544,  -4.977)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.574,   1.387,   1.663)  (  1.574,   1.387,   1.663)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       ( -7.675,  -0.990,   1.850)  ( -7.670,  -0.984,   1.855)  ( 0.07,  0.60,  0.26)
183:     bond    ( -2.953, -11.140,   2.764)  ( -2.949, -11.136,   2.768)  ( 0.12,  0.04,  0.15)
183:     angle   ( -6.707,  11.635,   3.591)  ( -6.705,  11.637,   3.594)  ( 0.03,  0.02,  0.06)
183:     strbnd  (  1.933,  -1.383,  -4.721)  (  1.932,  -1.383,  -4.722)  ( 0.05,  0.02,  0.03)
183:     torsion ( -0.767,   1.045,   0.680)  ( -0.767,   1.045,   0.680)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.685,  -1.579,   0.134)  ( -1.684,  -1.579,   0.134)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
181:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
181:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
181:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
181:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
181:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
181:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
181:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
181:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
181:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
181:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
181:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
181:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro (  2.504,   0.432,  -0.598)  (  2.504,   0.432,  -0.598)  ( 0.00,  0.00,  0.00)
183: 29       ( -0.232,  -0.372,  -1.097)  ( -0.323,  -0.236,  -1.026)  ( 2.10,  5.04,  6.49)
183:     bond    ( -3.268,   7.249,   5.605)  ( -3.264,   7.254,   5.609)  ( 0.11,  0.06,  0.08)
183:     angle   (  1.228,  -5.262,  -5.708)  (  1.229,  -5.261,  -5.706)  ( 0.14,  0.03,  0.04)
183:     strbnd  ( -1.075,   1.910,   2.578)  ( -1.075,   1.910,   2.578)  ( 0.06,  0.02,  0.02)
183:     torsion ( -1.983,  -2.819,  -0.108)  ( -1.983,  -2.819,  -0.108)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.919,  -1.262,  -0.629)  (  0.825,  -1.132,  -0.564)  ( 8.72, 10.33,  4.10)
183:     vdw     (  3.898,  -0.356,  -3.193)  (  3.898,  -0.356,  -3.193)  ( 0.00,  0.00,  0.00)
183:     electro (  0.048,   0.168,   0.357)  (  0.048,   0.168,   0.357)  ( 0.00,  0.00,  0.00)
183: 30       (  1.016,   2.220,   3.568)  (  1.737,   1.301,   3.105)  (70.91, 41.39, 12.97)
183:     bond    ( -1.273,  -3.810,   6.037)  ( -1.269,  -3.807,   6.047)  ( 0.30,  0.07,  0.16)
183:     angle   (  1.224,   1.913,   5.350)  (  1.225,   1.914,   5.352)  ( 0.15,  0.07,  0.03)
183:     strbnd  ( -1.468,   0.550,  -3.069)  ( -1.469,   0.549,  -3.071)  ( 0.07,  0.04,  0.07)
183:     torsion ( -0.091,   0.173,   0.599)  ( -0.091,   0.173,   0.599)  ( 0.00,  0.00,  0.00)
183:     oop     ( -3.638,   4.815,   2.435)  ( -2.922,   3.893,   1.963)  (19.69, 19.15, 19.39)
183:     vdw     (  6.948,  -1.148,  -6.767)  (  6.948,  -1.148,  -6.767)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.686,  -0.273,  -1.017)  ( -0.686,  -0.273,  -1.017)  ( 0.00,  0.00,  0.00)
183: 31       (  2.419,  -0.986,  -2.275)  (  2.104,  -0.579,  -2.060)  (13.02, 40.06,  9.46)
183:     bond    (  0.058,   0.328,  -0.551)  (  0.058,   0.330,  -0.546)  ( 0.00,  0.06,  0.28)
183:     angle   ( -2.127,  -1.116,  -0.901)  ( -2.127,  -1.116,  -0.901)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -0.372,  -0.811,   1.064)  ( -0.372,  -0.811,   1.064)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.357,  -0.491,  -0.258)  (  0.357,  -0.491,  -0.258)  ( 0.00,  0.00,  0.00)
183:     oop     (  1.362,  -1.784,  -0.930)  (  1.047,  -1.380,  -0.720)  (23.18, 22.66, 19.55)
183:     vdw     (  3.653,   3.015,  -1.101)  (  3.653,   3.015,  -1.101)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.512,  -0.127,   0.402)  ( -0.512,  -0.127,   0.402)  ( 0.00,  0.00,  0.00)
183: 32       (  5.348,   0.730,  -4.432)  (  5.046,   1.120,  -4.230)  ( 5.64, 28.45,  4.56)
183:     bond    ( -3.495,  -0.110,  -5.185)  ( -3.493,  -0.110,  -5.181)  ( 0.06,  0.00,  0.09)
183:     angle   (  0.338,   0.315,  -0.235)  (  0.339,   0.316,  -0.235)  ( 0.01,  0.02,  0.00)
183:     strbnd  (  0.426,  -0.497,   1.754)  (  0.426,  -0.497,   1.754)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.160,   0.219,   0.103)  ( -0.160,   0.219,   0.103)  ( 0.00,  0.00,  0.00)
183:     oop     (  1.355,  -1.770,  -0.876)  (  1.050,  -1.382,  -0.679)  (22.48, 21.97, 17.28)
183:     vdw     (  8.930,   2.395,  -1.527)  (  8.930,   2.395,  -1.527)  ( 0.00,  0.00,  0.00)
183:     electro ( -2.046,   0.178,   1.533)  ( -2.046,   0.178,   1.533)  ( 0.00,  0.00,  0.00)
183: 33       (  7.505,  -1.009,   1.807)  (  7.506,  -1.002,   1.810)  ( 0.01,  0.66,  0.20)
183:     bond    ( -0.019,  -1.678,  -1.610)  ( -0.019,  -1.671,  -1.608)  ( 0.00,  0.37,  0.18)
183:     angle   (  8.749,  -2.680,   5.549)  (  8.750,  -2.680,   5.550)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  0.282,  -2.395,  -3.567)  (  0.282,  -2.395,  -3.567)  ( 0.00,  0.00,  0.01)
183:     torsion ( -0.756,   0.926,  -0.619)  ( -0.756,   0.926,  -0.619)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.059,   4.362,   2.702)  (  2.059,   4.362,   2.702)  ( 0.01,  0.00,  0.00)
183:     electro ( -2.810,   0.456,  -0.648)  ( -2.810,   0.456,  -0.648)  ( 0.00,  0.00,  0.00)
183: 34       ( 10.521,   3.577,  -4.419)  ( 10.527,   3.578,  -4.416)  ( 0.06,  0.02,  0.08)
183:     bond    ( 13.740,   3.045, -11.264)  ( 13.745,   3.046, -11.261)  ( 0.04,  0.01,  0.03)
183:     angle   (  3.434,  -0.862,  -3.531)  (  3.435,  -0.861,  -3.530)  ( 0.02,  0.04,  0.03)
183:     strbnd  ( -0.868,  -0.657,   2.046)  ( -0.868,  -0.658,   2.046)  ( 0.01,  0.00,  0.02)
179:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
179:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
179:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
179:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
179:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
179:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
179:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
179:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
179:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
181: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
181:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
181:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
181:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
181:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
181:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
181:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
181:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
181:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
181:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
181:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
181:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
181:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
181:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.397,   0.278,   0.129)  ( -0.397,   0.278,   0.129)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.894,   2.781,   6.709)  ( -1.894,   2.781,   6.709)  ( 0.01,  0.00,  0.00)
183:     electro ( -3.494,  -1.009,   1.492)  ( -3.494,  -1.009,   1.492)  ( 0.00,  0.00,  0.00)
183: 35       (  0.612,  -0.567,  -0.708)  (  0.616,  -0.568,  -0.704)  ( 0.25,  0.04,  0.32)
183:     bond    (  2.204,  -0.030,  -0.236)  (  2.207,  -0.030,  -0.236)  ( 0.17,  0.00,  0.00)
183:     angle   ( -0.031,  -0.619,  -0.215)  ( -0.031,  -0.619,  -0.215)  ( 0.00,  0.04,  0.00)
183:     strbnd  ( -0.630,  -0.117,   0.028)  ( -0.630,  -0.117,   0.028)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.041,   0.142,  -0.401)  ( -0.041,   0.142,  -0.401)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.003,   0.009,  -0.025)  ( -0.002,   0.007,  -0.021)  ( 0.00,  0.00,  0.01)
183:     vdw     ( -0.755,   0.010,   0.078)  ( -0.755,   0.010,   0.078)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.132,   0.038,   0.062)  ( -0.132,   0.038,   0.062)  ( 0.00,  0.00,  0.00)
183: 36       ( -0.249,  -1.029,   0.334)  ( -0.247,  -1.029,   0.343)  ( 0.05,  0.03,  0.32)
183:     bond    (  1.008,  -1.858,  -0.711)  (  1.009,  -1.855,  -0.710)  ( 0.08,  0.14,  0.03)
183:     angle   ( -0.810,  -0.409,  -0.083)  ( -0.810,  -0.408,  -0.083)  ( 0.04,  0.01,  0.00)
183:     strbnd  ( -0.164,   0.654,   0.244)  ( -0.164,   0.654,   0.244)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.047,  -0.195,   0.576)  (  0.047,  -0.195,   0.577)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.004,   0.018,  -0.054)  ( -0.003,   0.015,  -0.045)  ( 0.00,  0.01,  0.05)
183:     vdw     ( -0.412,   0.629,   0.244)  ( -0.412,   0.629,   0.244)  ( 0.00,  0.00,  0.00)
183:     electro (  0.086,   0.132,   0.117)  (  0.086,   0.132,   0.117)  ( 0.00,  0.00,  0.00)
183: 37       ( -1.459,   0.450,  -0.189)  ( -1.459,   0.459,  -0.205)  ( 0.02,  0.38,  0.31)
183:     bond    ( -1.065,  -1.705,  -0.491)  ( -1.064,  -1.702,  -0.491)  ( 0.09,  0.15,  0.01)
183:     angle   (  2.772,  -1.525,  -0.719)  (  2.772,  -1.525,  -0.719)  ( 0.02,  0.01,  0.00)
183:     strbnd  (  0.823,   1.075,   0.277)  (  0.823,   1.075,   0.277)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.096,  -0.361,   1.046)  (  0.096,  -0.361,   1.046)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.009,  -0.035,   0.104)  (  0.007,  -0.030,   0.087)  ( 0.00,  0.02,  0.17)
183:     vdw     ( -4.611,   3.272,  -0.769)  ( -4.611,   3.272,  -0.769)  ( 0.00,  0.00,  0.00)
183:     electro (  0.518,  -0.270,   0.365)  (  0.518,  -0.270,   0.365)  ( 0.00,  0.00,  0.00)
183: 38       (  0.697,  -0.095,  -1.643)  (  0.702,  -0.112,  -1.585)  ( 0.38,  0.16,  3.53)
183:     bond    ( -0.610,   1.154,   0.431)  ( -0.609,   1.156,   0.432)  ( 0.05,  0.23,  0.02)
183:     angle   (  2.171,   1.091,   0.140)  (  2.172,   1.091,   0.140)  ( 0.03,  0.01,  0.00)
183:     strbnd  (  0.292,  -0.874,  -0.249)  (  0.292,  -0.874,  -0.249)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.070,   0.364,  -1.074)  ( -0.070,   0.364,  -1.074)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.025,   0.116,  -0.346)  ( -0.021,   0.097,  -0.289)  ( 0.01,  0.22,  1.99)
183:     vdw     ( -0.968,  -2.087,  -0.646)  ( -0.967,  -2.087,  -0.646)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.094,   0.142,   0.101)  ( -0.094,   0.142,   0.101)  ( 0.00,  0.00,  0.00)
183: 39       (  0.579,   0.285,  -1.567)  (  0.582,   0.284,  -1.555)  ( 0.17,  0.03,  0.77)
183:     bond    (  1.161,   1.766,   0.453)  (  1.162,   1.769,   0.453)  ( 0.09,  0.14,  0.01)
183:     angle   (  0.496,  -0.284,  -0.165)  (  0.497,  -0.284,  -0.165)  ( 0.02,  0.00,  0.00)
183:     strbnd  ( -0.428,  -0.962,  -0.256)  ( -0.428,  -0.962,  -0.256)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.154,   0.452,  -1.372)  ( -0.154,   0.452,  -1.372)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.008,   0.023,  -0.071)  ( -0.007,   0.019,  -0.059)  ( 0.00,  0.01,  0.08)
183:     vdw     ( -0.423,  -0.628,  -0.165)  ( -0.423,  -0.628,  -0.165)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.066,  -0.083,   0.009)  ( -0.066,  -0.083,   0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
179:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
179:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
179:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
179:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
179:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
179:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
179:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
179:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
179:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
179:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
179:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
179:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
179:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 18 # gradients 
179: ok 19 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
181:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
181:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
181:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
181:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
181:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
181:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
181:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
181:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
181:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
181:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
181:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
181:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
181:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
181:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183: 40       ( -3.312,  -3.973,  -3.279)  ( -3.286,  -3.772,  -3.483)  ( 0.77,  5.06,  6.22)
183:     bond    (  1.250,  -2.067,  -1.848)  (  1.251,  -2.065,  -1.846)  ( 0.07,  0.11,  0.10)
183:     angle   ( -6.227,  -1.125,  -2.962)  ( -6.226,  -1.124,  -2.961)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.245,  -0.553,  -0.380)  ( -0.245,  -0.553,  -0.380)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.954,  -0.617,   2.015)  (  1.954,  -0.617,   2.015)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.207,  -1.458,   1.491)  ( -0.183,  -1.260,   1.285)  ( 0.50, 13.62, 13.81)
183:     vdw     ( -0.907,   0.415,  -2.870)  ( -0.907,   0.416,  -2.870)  ( 0.01,  0.00,  0.00)
183:     electro (  1.070,   1.432,   1.274)  (  1.070,   1.432,   1.274)  ( 0.00,  0.00,  0.00)
183: 41       (  0.314,  -0.534,  -1.796)  (  0.320,  -0.537,  -1.831)  ( 0.19,  0.17,  1.93)
183:     bond    (  1.745,  -1.007,   0.287)  (  1.748,  -1.006,   0.287)  ( 0.17,  0.10,  0.00)
183:     angle   (  0.464,   0.801,  -0.015)  (  0.464,   0.801,  -0.015)  ( 0.01,  0.05,  0.00)
183:     strbnd  (  0.646,   0.353,  -0.007)  (  0.646,   0.352,  -0.007)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.413,  -0.701,  -4.980)  (  0.413,  -0.701,  -4.980)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.012,   0.022,   0.147)  ( -0.009,   0.017,   0.112)  ( 0.00,  0.01,  0.51)
183:     vdw     ( -2.888,  -0.070,   2.547)  ( -2.888,  -0.069,   2.547)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.055,   0.069,   0.225)  ( -0.055,   0.069,   0.225)  ( 0.00,  0.00,  0.00)
183: 42       ( -0.601,  -0.039,  -0.247)  ( -0.597,  -0.038,  -0.240)  ( 0.23,  0.00,  0.18)
183:     bond    ( -1.375,   0.917,   0.310)  ( -1.372,   0.918,   0.310)  ( 0.19,  0.11,  0.00)
183:     angle   (  3.321,   4.944,   0.058)  (  3.321,   4.944,   0.059)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -1.480,   0.664,   0.304)  ( -1.480,   0.664,   0.304)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.662,   0.518,  -4.465)  ( -0.662,   0.518,  -4.465)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.006,   0.005,  -0.042)  ( -0.005,   0.004,  -0.035)  ( 0.00,  0.00,  0.03)
183:     vdw     ( -0.590,  -7.239,   3.112)  ( -0.590,  -7.239,   3.112)  ( 0.00,  0.00,  0.00)
183:     electro (  0.193,   0.152,   0.475)  (  0.193,   0.152,   0.475)  ( 0.00,  0.00,  0.00)
183: 43       ( -0.497,   0.648,   1.335)  ( -0.493,   0.649,   1.338)  ( 0.18,  0.06,  0.24)
183:     bond    (  1.870,   0.804,  -0.109)  (  1.873,   0.804,  -0.109)  ( 0.17,  0.05,  0.00)
183:     angle   ( -0.221,   0.524,   0.072)  ( -0.221,   0.524,   0.072)  ( 0.00,  0.03,  0.00)
183:     strbnd  ( -1.440,  -0.145,   0.136)  ( -1.440,  -0.145,   0.136)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.118,  -0.120,   1.139)  (  0.118,  -0.120,   1.139)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.002,   0.002,  -0.018)  ( -0.002,   0.002,  -0.015)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.750,  -0.350,   0.003)  ( -0.750,  -0.350,   0.003)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.071,  -0.066,   0.111)  ( -0.071,  -0.066,   0.111)  ( 0.00,  0.00,  0.00)
183: 44       ( -1.262,   0.524,   0.724)  ( -1.261,   0.527,   0.732)  ( 0.12,  0.15,  0.57)
183:     bond    (  0.202,   1.622,   0.146)  (  0.202,   1.625,   0.146)  ( 0.00,  0.23,  0.00)
183:     angle   ( -1.147,   0.132,   0.122)  ( -1.147,   0.132,   0.122)  ( 0.06,  0.00,  0.00)
183:     strbnd  ( -0.299,  -0.281,   0.005)  ( -0.299,  -0.281,   0.005)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.051,  -0.056,   0.548)  (  0.051,  -0.056,   0.549)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.004,   0.004,  -0.044)  ( -0.004,   0.004,  -0.036)  ( 0.00,  0.00,  0.03)
183:     vdw     ( -0.104,  -0.746,  -0.073)  ( -0.104,  -0.746,  -0.073)  ( 0.00,  0.00,  0.00)
183:     electro (  0.039,  -0.152,   0.018)  (  0.039,  -0.152,   0.018)  ( 0.00,  0.00,  0.00)
183: 45       ( -1.564,  -0.339,  -0.643)  ( -1.563,  -0.337,  -0.657)  ( 0.08,  0.10,  0.90)
183:     bond    ( -2.026,   1.473,   0.312)  ( -2.024,   1.474,   0.312)  ( 0.12,  0.09,  0.00)
183:     angle   ( -0.884,  -1.211,  -0.011)  ( -0.883,  -1.211,  -0.011)  ( 0.02,  0.04,  0.00)
183:     strbnd  (  0.669,   0.039,  -0.071)  (  0.669,   0.039,  -0.071)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.083,   0.075,  -0.891)  ( -0.083,   0.075,  -0.891)  ( 0.00,  0.00,  0.03)
193: # Unit tests for OBLogP and OBPSA 
193: 1..7
193: ok 1
193: ok 2 # 1.4008
193: ok 3 # 29.46
193: ok 4 # 2.5815
193: ok 5 # 0
193: ok 6 # 2.0264
193: ok 7 # 29.1
181:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
181:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
181:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
181:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
181:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
181:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
181:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
181:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
181:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
181:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
181:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
181:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
181:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
181:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
181:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
181:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
181:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
181:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
181:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
181:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
190/229 Test #193: test_logp_psa_1 ..................   Passed    3.63 sec
test 194
        Start 194: test_math_1

194: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "math" "1"
194: Environment variables: 
194:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
194:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
194: Test timeout computed to be: 1500
179:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
179:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
179:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
179:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
179:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
179:  2       (-60.262, -26.974,  -2.058)  (-60.252, -26.966,  -1.947)  ( 0.02,  0.03,  5.40)
179:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
179:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
179:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
179:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
179:  3       ( 23.930, -14.242,   1.480)  ( 23.937, -14.234,   1.356)  ( 0.03,  0.06,  8.43)
179:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
179:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
179:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
179:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
179:  4       (  0.145,  -4.796,  -0.990)  (  0.155,  -4.783,  -0.870)  ( 0.15,  0.26, 11.92)
179:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
179:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
179:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
179:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
179:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
179:  5       ( 32.855,  54.085,  -1.765)  ( 32.859,  54.093,  -1.793)  ( 0.01,  0.01,  1.56)
179:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
179:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
179:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
179:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.168,   8.955,   0.093)  ( -0.160,   8.963,  -0.035)  ( 0.14,  0.09,  1.18)
179:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
179:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
194: # math: repeating each test 1000 times
194: # Testing MMFF94 Force Field...
194: # math: entering testBasics_vector3
194: ok 1
194: ok 2
194: ok 3
194: ok 4
194: ok 5
194: ok 6
194: ok 7
194: ok 8
194: ok 9
194: ok 10
194: ok 11
194: ok 12
194: ok 13
194: ok 14
194: ok 15
194: ok 16
194: ok 17
194: ok 18
194: ok 19
194: ok 20
194: ok 21
194: ok 22
194: ok 23
194: ok 24
194: ok 25
194: ok 26
194: ok 27
194: ok 28
194: ok 29
194: ok 30
194: ok 31
194: ok 32
194: ok 33
194: ok 34
194: ok 35
194: ok 36
194: ok 37
194: ok 38
194: ok 39
194: ok 40
194: ok 41
194: ok 42
194: ok 43
194: ok 44
194: ok 45
194: ok 46
194: ok 47
194: ok 48
194: ok 49
194: ok 50
194: ok 51
194: ok 52
194: ok 53
194: ok 54
194: ok 55
194: ok 56
194: ok 57
194: ok 58
194: ok 59
194: ok 60
194: ok 61
194: ok 62
194: ok 63
194: ok 64
194: ok 65
194: ok 66
194: ok 67
194: ok 68
194: ok 69
194: ok 70
194: ok 71
194: ok 72
194: ok 73
194: ok 74
194: ok 75
194: ok 76
194: ok 77
194: ok 78
194: ok 79
194: ok 80
194: ok 81
194: ok 82
194: ok 83
194: ok 84
194: ok 85
194: ok 86
194: ok 87
194: ok 88
194: ok 89
194: ok 90
194: ok 91
194: ok 92
194: ok 93
194: ok 94
194: ok 95
194: ok 96
194: ok 97
194: ok 98
194: ok 99
194: ok 100
194: ok 101
194: ok 102
194: ok 103
194: ok 104
194: ok 105
194: ok 106
194: ok 107
194: ok 108
194: ok 109
194: ok 110
194: ok 111
194: ok 112
194: ok 113
194: ok 114
194: ok 115
194: ok 116
194: ok 117
194: ok 118
194: ok 119
194: ok 120
194: ok 121
194: ok 122
194: ok 123
194: ok 124
194: ok 125
194: ok 126
194: ok 127
194: ok 128
194: ok 129
194: ok 130
194: ok 131
194: ok 132
194: ok 133
194: ok 134
194: ok 135
194: ok 136
194: ok 137
194: ok 138
194: ok 139
194: ok 140
194: ok 141
194: ok 142
194: ok 143
194: ok 144
194: ok 145
194: ok 146
194: ok 147
194: ok 148
194: ok 149
194: ok 150
194: ok 151
194: ok 152
194: ok 153
194: ok 154
194: ok 155
194: ok 156
194: ok 157
194: ok 158
194: ok 159
194: ok 160
194: ok 161
194: ok 162
194: ok 163
194: ok 164
194: ok 165
194: ok 166
194: ok 167
194: ok 168
194: ok 169
194: ok 170
194: ok 171
194: ok 172
194: ok 173
194: ok 174
194: ok 175
194: ok 176
194: ok 177
194: ok 178
194: ok 179
194: ok 180
194: ok 181
194: ok 182
194: ok 183
194: ok 184
194: ok 185
194: ok 186
194: ok 187
194: ok 188
194: ok 189
194: ok 190
194: ok 191
194: ok 192
194: ok 193
194: ok 194
194: ok 195
194: ok 196
194: ok 197
194: ok 198
194: ok 199
194: ok 200
194: ok 201
194: ok 202
194: ok 203
194: ok 204
194: ok 205
194: ok 206
194: ok 207
194: ok 208
194: ok 209
194: ok 210
194: ok 211
194: ok 212
194: ok 213
194: ok 214
194: ok 215
194: ok 216
194: ok 217
194: ok 218
194: ok 219
194: ok 220
194: ok 221
194: ok 222
194: ok 223
194: ok 224
194: ok 225
194: ok 226
194: ok 227
194: ok 228
194: ok 229
194: ok 230
194: ok 231
194: ok 232
194: ok 233
194: ok 234
194: ok 235
194: ok 236
194: ok 237
194: ok 238
194: ok 239
194: ok 240
194: ok 241
194: ok 242
194: ok 243
194: ok 244
194: ok 245
194: ok 246
194: ok 247
194: ok 248
194: ok 249
194: ok 250
194: ok 251
194: ok 252
194: ok 253
194: ok 254
194: ok 255
194: ok 256
194: ok 257
194: ok 258
194: ok 259
194: ok 260
194: ok 261
194: ok 262
194: ok 263
194: ok 264
194: ok 265
194: ok 266
194: ok 267
194: ok 268
194: ok 269
194: ok 270
194: ok 271
194: ok 272
194: ok 273
194: ok 274
194: ok 275
194: ok 276
194: ok 277
194: ok 278
194: ok 279
194: ok 280
194: ok 281
194: ok 282
194: ok 283
194: ok 284
194: ok 285
194: ok 286
194: ok 287
194: ok 288
194: ok 289
194: ok 290
194: ok 291
194: ok 292
194: ok 293
194: ok 294
194: ok 295
194: ok 296
194: ok 297
194: ok 298
194: ok 299
194: ok 300
194: ok 301
194: ok 302
194: ok 303
194: ok 304
194: ok 305
194: ok 306
194: ok 307
194: ok 308
194: ok 309
194: ok 310
194: ok 311
194: ok 312
194: ok 313
194: ok 314
194: ok 315
194: ok 316
194: ok 317
194: ok 318
194: ok 319
194: ok 320
194: ok 321
194: ok 322
194: ok 323
194: ok 324
194: ok 325
194: ok 326
194: ok 327
194: ok 328
194: ok 329
194: ok 330
194: ok 331
194: ok 332
194: ok 333
194: ok 334
194: ok 335
194: ok 336
194: ok 337
194: ok 338
194: ok 339
194: ok 340
194: ok 341
194: ok 342
194: ok 343
194: ok 344
194: ok 345
194: ok 346
194: ok 347
194: ok 348
194: ok 349
194: ok 350
194: ok 351
194: ok 352
194: ok 353
194: ok 354
194: ok 355
194: ok 356
194: ok 357
194: ok 358
194: ok 359
194: ok 360
194: ok 361
194: ok 362
194: ok 363
194: ok 364
194: ok 365
194: ok 366
194: ok 367
194: ok 368
194: ok 369
194: ok 370
194: ok 371
194: ok 372
194: ok 373
194: ok 374
194: ok 375
194: ok 376
194: ok 377
194: ok 378
194: ok 379
194: ok 380
194: ok 381
194: ok 382
194: ok 383
194: ok 384
194: ok 385
194: ok 386
194: ok 387
194: ok 388
194: ok 389
194: ok 390
194: ok 391
194: ok 392
194: ok 393
194: ok 394
194: ok 395
194: ok 396
194: ok 397
194: ok 398
194: ok 399
194: ok 400
194: ok 401
194: ok 402
194: ok 403
194: ok 404
194: ok 405
194: ok 406
194: ok 407
194: ok 408
194: ok 409
194: ok 410
194: ok 411
194: ok 412
194: ok 413
194: ok 414
194: ok 415
194: ok 416
194: ok 417
194: ok 418
194: ok 419
194: ok 420
194: ok 421
194: ok 422
194: ok 423
194: ok 424
194: ok 425
194: ok 426
194: ok 427
194: ok 428
194: ok 429
194: ok 430
194: ok 431
194: ok 432
194: ok 433
194: ok 434
194: ok 435
194: ok 436
194: ok 437
194: ok 438
194: ok 439
194: ok 440
194: ok 441
194: ok 442
194: ok 443
194: ok 444
194: ok 445
194: ok 446
194: ok 447
194: ok 448
194: ok 449
194: ok 450
194: ok 451
194: ok 452
194: ok 453
194: ok 454
194: ok 455
194: ok 456
194: ok 457
194: ok 458
194: ok 459
194: ok 460
194: ok 461
194: ok 462
194: ok 463
194: ok 464
194: ok 465
194: ok 466
194: ok 467
194: ok 468
194: ok 469
194: ok 470
194: ok 471
194: ok 472
194: ok 473
194: ok 474
194: ok 475
194: ok 476
194: ok 477
194: ok 478
194: ok 479
194: ok 480
194: ok 481
194: ok 482
194: ok 483
194: ok 484
194: ok 485
194: ok 486
194: ok 487
194: ok 488
194: ok 489
194: ok 490
194: ok 491
194: ok 492
194: ok 493
194: ok 494
194: ok 495
194: ok 496
194: ok 497
194: ok 498
194: ok 499
194: ok 500
194: ok 501
194: ok 502
194: ok 503
194: ok 504
194: ok 505
194: ok 506
194: ok 507
194: ok 508
194: ok 509
194: ok 510
194: ok 511
194: ok 512
194: ok 513
194: ok 514
194: ok 515
194: ok 516
194: ok 517
194: ok 518
194: ok 519
194: ok 520
194: ok 521
194: ok 522
194: ok 523
194: ok 524
194: ok 525
194: ok 526
194: ok 527
194: ok 528
194: ok 529
194: ok 530
194: ok 531
194: ok 532
194: ok 533
194: ok 534
194: ok 535
194: ok 536
194: ok 537
194: ok 538
194: ok 539
194: ok 540
194: ok 541
194: ok 542
194: ok 543
194: ok 544
194: ok 545
194: ok 546
194: ok 547
194: ok 548
194: ok 549
194: ok 550
194: ok 551
194: ok 552
194: ok 553
194: ok 554
194: ok 555
194: ok 556
194: ok 557
194: ok 558
194: ok 559
194: ok 560
194: ok 561
194: ok 562
194: ok 563
194: ok 564
194: ok 565
194: ok 566
194: ok 567
194: ok 568
194: ok 569
194: ok 570
194: ok 571
194: ok 572
194: ok 573
194: ok 574
194: ok 575
194: ok 576
194: ok 577
194: ok 578
194: ok 579
194: ok 580
194: ok 581
194: ok 582
194: ok 583
194: ok 584
194: ok 585
194: ok 586
194: ok 587
194: ok 588
194: ok 589
194: ok 590
194: ok 591
194: ok 592
194: ok 593
194: ok 594
194: ok 595
194: ok 596
194: ok 597
194: ok 598
194: ok 599
194: ok 600
194: ok 601
194: ok 602
194: ok 603
194: ok 604
194: ok 605
194: ok 606
194: ok 607
194: ok 608
194: ok 609
194: ok 610
194: ok 611
194: ok 612
194: ok 613
194: ok 614
194: ok 615
194: ok 616
194: ok 617
194: ok 618
194: ok 619
194: ok 620
194: ok 621
194: ok 622
194: ok 623
194: ok 624
194: ok 625
194: ok 626
194: ok 627
194: ok 628
194: ok 629
194: ok 630
194: ok 631
194: ok 632
194: ok 633
194: ok 634
194: ok 635
194: ok 636
194: ok 637
194: ok 638
194: ok 639
194: ok 640
194: ok 641
194: ok 642
194: ok 643
194: ok 644
194: ok 645
194: ok 646
194: ok 647
194: ok 648
194: ok 649
194: ok 650
194: ok 651
194: ok 652
194: ok 653
194: ok 654
194: ok 655
194: ok 656
194: ok 657
194: ok 658
194: ok 659
194: ok 660
194: ok 661
194: ok 662
194: ok 663
194: ok 664
194: ok 665
194: ok 666
194: ok 667
194: ok 668
194: ok 669
194: ok 670
194: ok 671
194: ok 672
194: ok 673
194: ok 674
194: ok 675
194: ok 676
194: ok 677
194: ok 678
194: ok 679
194: ok 680
194: ok 681
194: ok 682
194: ok 683
194: ok 684
194: ok 685
194: ok 686
194: ok 687
194: ok 688
194: ok 689
194: ok 690
194: ok 691
194: ok 692
194: ok 693
194: ok 694
194: ok 695
194: ok 696
194: ok 697
194: ok 698
194: ok 699
194: ok 700
194: ok 701
194: ok 702
194: ok 703
194: ok 704
194: ok 705
194: ok 706
194: ok 707
194: ok 708
194: ok 709
194: ok 710
194: ok 711
194: ok 712
194: ok 713
194: ok 714
194: ok 715
194: ok 716
194: ok 717
194: ok 718
194: ok 719
194: ok 720
194: ok 721
194: ok 722
194: ok 723
194: ok 724
194: ok 725
194: ok 726
194: ok 727
194: ok 728
194: ok 729
194: ok 730
194: ok 731
194: ok 732
194: ok 733
194: ok 734
194: ok 735
194: ok 736
194: ok 737
194: ok 738
194: ok 739
194: ok 740
194: ok 741
194: ok 742
194: ok 743
194: ok 744
194: ok 745
194: ok 746
194: ok 747
194: ok 748
194: ok 749
194: ok 750
194: ok 751
194: ok 752
194: ok 753
194: ok 754
194: ok 755
194: ok 756
194: ok 757
194: ok 758
194: ok 759
194: ok 760
194: ok 761
194: ok 762
194: ok 763
194: ok 764
194: ok 765
194: ok 766
194: ok 767
194: ok 768
194: ok 769
194: ok 770
194: ok 771
194: ok 772
194: ok 773
194: ok 774
194: ok 775
194: ok 776
194: ok 777
194: ok 778
194: ok 779
194: ok 780
194: ok 781
194: ok 782
194: ok 783
194: ok 784
194: ok 785
194: ok 786
194: ok 787
194: ok 788
194: ok 789
194: ok 790
194: ok 791
194: ok 792
194: ok 793
194: ok 794
194: ok 795
194: ok 796
194: ok 797
194: ok 798
194: ok 799
194: ok 800
194: ok 801
194: ok 802
194: ok 803
194: ok 804
194: ok 805
194: ok 806
194: ok 807
194: ok 808
194: ok 809
194: ok 810
194: ok 811
194: ok 812
194: ok 813
194: ok 814
194: ok 815
194: ok 816
194: ok 817
194: ok 818
194: ok 819
194: ok 820
194: ok 821
194: ok 822
194: ok 823
194: ok 824
194: ok 825
194: ok 826
194: ok 827
194: ok 828
194: ok 829
194: ok 830
194: ok 831
194: ok 832
194: ok 833
194: ok 834
194: ok 835
194: ok 836
194: ok 837
194: ok 838
194: ok 839
194: ok 840
194: ok 841
194: ok 842
194: ok 843
194: ok 844
194: ok 845
194: ok 846
194: ok 847
194: ok 848
194: ok 849
194: ok 850
194: ok 851
194: ok 852
194: ok 853
194: ok 854
194: ok 855
194: ok 856
194: ok 857
194: ok 858
194: ok 859
194: ok 860
194: ok 861
194: ok 862
194: ok 863
194: ok 864
194: ok 865
194: ok 866
194: ok 867
194: ok 868
194: ok 869
194: ok 870
194: ok 871
194: ok 872
194: ok 873
194: ok 874
194: ok 875
194: ok 876
194: ok 877
194: ok 878
194: ok 879
194: ok 880
194: ok 881
194: ok 882
194: ok 883
194: ok 884
194: ok 885
194: ok 886
194: ok 887
194: ok 888
194: ok 889
194: ok 890
194: ok 891
194: ok 892
194: ok 893
194: ok 894
194: ok 895
194: ok 896
194: ok 897
194: ok 898
194: ok 899
194: ok 900
194: ok 901
194: ok 902
194: ok 903
194: ok 904
194: ok 905
194: ok 906
194: ok 907
194: ok 908
194: ok 909
194: ok 910
194: ok 911
194: ok 912
194: ok 913
194: ok 914
194: ok 915
194: ok 916
194: ok 917
194: ok 918
194: ok 919
194: ok 920
194: ok 921
194: ok 922
194: ok 923
194: ok 924
194: ok 925
194: ok 926
194: ok 927
194: ok 928
194: ok 929
194: ok 930
194: ok 931
194: ok 932
194: ok 933
194: ok 934
194: ok 935
194: ok 936
194: ok 937
194: ok 938
194: ok 939
194: ok 940
194: ok 941
194: ok 942
194: ok 943
194: ok 944
194: ok 945
194: ok 946
194: ok 947
194: ok 948
194: ok 949
194: ok 950
194: ok 951
194: ok 952
194: ok 953
194: ok 954
194: ok 955
194: ok 956
194: ok 957
194: ok 958
194: ok 959
194: ok 960
194: ok 961
194: ok 962
194: ok 963
194: ok 964
194: ok 965
194: ok 966
194: ok 967
194: ok 968
194: ok 969
194: ok 970
194: ok 971
194: ok 972
194: ok 973
194: ok 974
194: ok 975
194: ok 976
194: ok 977
194: ok 978
194: ok 979
194: ok 980
194: ok 981
194: ok 982
194: ok 983
194: ok 984
194: ok 985
194: ok 986
194: ok 987
194: ok 988
194: ok 989
194: ok 990
194: ok 991
194: ok 992
194: ok 993
194: ok 994
194: ok 995
194: ok 996
194: ok 997
194: ok 998
194: ok 999
194: ok 1000
194: ok 1001
194: ok 1002
194: ok 1003
194: ok 1004
194: ok 1005
194: ok 1006
194: ok 1007
194: ok 1008
194: ok 1009
194: ok 1010
194: ok 1011
194: ok 1012
194: ok 1013
194: ok 1014
194: ok 1015
194: ok 1016
194: ok 1017
194: ok 1018
194: ok 1019
194: ok 1020
194: ok 1021
194: ok 1022
194: ok 1023
194: ok 1024
194: ok 1025
194: ok 1026
194: ok 1027
194: ok 1028
194: ok 1029
194: ok 1030
194: ok 1031
194: ok 1032
194: ok 1033
194: ok 1034
194: ok 1035
194: ok 1036
194: ok 1037
194: ok 1038
194: ok 1039
194: ok 1040
194: ok 1041
194: ok 1042
194: ok 1043
194: ok 1044
194: ok 1045
194: ok 1046
194: ok 1047
194: ok 1048
194: ok 1049
194: ok 1050
194: ok 1051
194: ok 1052
194: ok 1053
194: ok 1054
194: ok 1055
194: ok 1056
194: ok 1057
194: ok 1058
194: ok 1059
194: ok 1060
194: ok 1061
194: ok 1062
194: ok 1063
194: ok 1064
194: ok 1065
194: ok 1066
194: ok 1067
194: ok 1068
194: ok 1069
194: ok 1070
194: ok 1071
194: ok 1072
194: ok 1073
194: ok 1074
194: ok 1075
194: ok 1076
194: ok 1077
194: ok 1078
194: ok 1079
194: ok 1080
194: ok 1081
194: ok 1082
194: ok 1083
194: ok 1084
194: ok 1085
194: ok 1086
194: ok 1087
194: ok 1088
194: ok 1089
194: ok 1090
194: ok 1091
194: ok 1092
194: ok 1093
194: ok 1094
194: ok 1095
194: ok 1096
194: ok 1097
194: ok 1098
194: ok 1099
194: ok 1100
194: ok 1101
194: ok 1102
194: ok 1103
194: ok 1104
194: ok 1105
194: ok 1106
194: ok 1107
194: ok 1108
194: ok 1109
194: ok 1110
194: ok 1111
194: ok 1112
194: ok 1113
194: ok 1114
194: ok 1115
194: ok 1116
194: ok 1117
194: ok 1118
194: ok 1119
194: ok 1120
194: ok 1121
194: ok 1122
194: ok 1123
194: ok 1124
194: ok 1125
194: ok 1126
194: ok 1127
194: ok 1128
194: ok 1129
194: ok 1130
194: ok 1131
194: ok 1132
194: ok 1133
194: ok 1134
194: ok 1135
194: ok 1136
194: ok 1137
194: ok 1138
194: ok 1139
194: ok 1140
194: ok 1141
194: ok 1142
194: ok 1143
194: ok 1144
194: ok 1145
194: ok 1146
194: ok 1147
194: ok 1148
194: ok 1149
194: ok 1150
194: ok 1151
194: ok 1152
194: ok 1153
194: ok 1154
194: ok 1155
194: ok 1156
194: ok 1157
194: ok 1158
194: ok 1159
194: ok 1160
194: ok 1161
194: ok 1162
194: ok 1163
194: ok 1164
194: ok 1165
194: ok 1166
194: ok 1167
194: ok 1168
194: ok 1169
194: ok 1170
194: ok 1171
194: ok 1172
194: ok 1173
194: ok 1174
194: ok 1175
194: ok 1176
194: ok 1177
194: ok 1178
194: ok 1179
194: ok 1180
194: ok 1181
194: ok 1182
194: ok 1183
194: ok 1184
194: ok 1185
194: ok 1186
194: ok 1187
194: ok 1188
194: ok 1189
194: ok 1190
194: ok 1191
194: ok 1192
194: ok 1193
194: ok 1194
194: ok 1195
194: ok 1196
194: ok 1197
194: ok 1198
194: ok 1199
194: ok 1200
194: ok 1201
194: ok 1202
194: ok 1203
194: ok 1204
194: ok 1205
194: ok 1206
194: ok 1207
194: ok 1208
194: ok 1209
194: ok 1210
194: ok 1211
194: ok 1212
194: ok 1213
194: ok 1214
194: ok 1215
194: ok 1216
194: ok 1217
194: ok 1218
194: ok 1219
194: ok 1220
194: ok 1221
194: ok 1222
194: ok 1223
194: ok 1224
194: ok 1225
194: ok 1226
194: ok 1227
194: ok 1228
194: ok 1229
194: ok 1230
194: ok 1231
194: ok 1232
194: ok 1233
194: ok 1234
194: ok 1235
194: ok 1236
194: ok 1237
194: ok 1238
194: ok 1239
194: ok 1240
194: ok 1241
194: ok 1242
194: ok 1243
194: ok 1244
194: ok 1245
194: ok 1246
194: ok 1247
194: ok 1248
194: ok 1249
194: ok 1250
194: ok 1251
194: ok 1252
194: ok 1253
194: ok 1254
194: ok 1255
194: ok 1256
194: ok 1257
194: ok 1258
194: ok 1259
194: ok 1260
194: ok 1261
194: ok 1262
194: ok 1263
194: ok 1264
194: ok 1265
194: ok 1266
194: ok 1267
194: ok 1268
194: ok 1269
194: ok 1270
194: ok 1271
194: ok 1272
194: ok 1273
194: ok 1274
194: ok 1275
194: ok 1276
194: ok 1277
194: ok 1278
194: ok 1279
194: ok 1280
194: ok 1281
194: ok 1282
194: ok 1283
194: ok 1284
194: ok 1285
194: ok 1286
194: ok 1287
194: ok 1288
194: ok 1289
194: ok 1290
194: ok 1291
194: ok 1292
194: ok 1293
194: ok 1294
194: ok 1295
194: ok 1296
194: ok 1297
194: ok 1298
194: ok 1299
194: ok 1300
194: ok 1301
194: ok 1302
194: ok 1303
194: ok 1304
194: ok 1305
194: ok 1306
194: ok 1307
194: ok 1308
194: ok 1309
194: ok 1310
194: ok 1311
194: ok 1312
194: ok 1313
194: ok 1314
194: ok 1315
194: ok 1316
194: ok 1317
194: ok 1318
194: ok 1319
194: ok 1320
194: ok 1321
194: ok 1322
194: ok 1323
194: ok 1324
194: ok 1325
194: ok 1326
194: ok 1327
194: ok 1328
194: ok 1329
194: ok 1330
194: ok 1331
194: ok 1332
194: ok 1333
194: ok 1334
194: ok 1335
194: ok 1336
194: ok 1337
194: ok 1338
194: ok 1339
194: ok 1340
194: ok 1341
194: ok 1342
194: ok 1343
194: ok 1344
194: ok 1345
194: ok 1346
194: ok 1347
194: ok 1348
194: ok 1349
194: ok 1350
194: ok 1351
194: ok 1352
194: ok 1353
194: ok 1354
194: ok 1355
194: ok 1356
194: ok 1357
194: ok 1358
194: ok 1359
194: ok 1360
194: ok 1361
194: ok 1362
194: ok 1363
194: ok 1364
194: ok 1365
194: ok 1366
194: ok 1367
194: ok 1368
194: ok 1369
194: ok 1370
194: ok 1371
194: ok 1372
194: ok 1373
194: ok 1374
194: ok 1375
194: ok 1376
194: ok 1377
194: ok 1378
194: ok 1379
194: ok 1380
194: ok 1381
194: ok 1382
194: ok 1383
194: ok 1384
194: ok 1385
194: ok 1386
194: ok 1387
194: ok 1388
194: ok 1389
194: ok 1390
194: ok 1391
194: ok 1392
194: ok 1393
194: ok 1394
194: ok 1395
194: ok 1396
194: ok 1397
194: ok 1398
194: ok 1399
194: ok 1400
194: ok 1401
194: ok 1402
194: ok 1403
194: ok 1404
194: ok 1405
194: ok 1406
194: ok 1407
194: ok 1408
194: ok 1409
194: ok 1410
194: ok 1411
194: ok 1412
194: ok 1413
194: ok 1414
194: ok 1415
194: ok 1416
194: ok 1417
194: ok 1418
194: ok 1419
194: ok 1420
194: ok 1421
194: ok 1422
194: ok 1423
194: ok 1424
194: ok 1425
194: ok 1426
194: ok 1427
194: ok 1428
194: ok 1429
194: ok 1430
194: ok 1431
194: ok 1432
194: ok 1433
194: ok 1434
194: ok 1435
194: ok 1436
194: ok 1437
194: ok 1438
194: ok 1439
194: ok 1440
194: ok 1441
194: ok 1442
194: ok 1443
194: ok 1444
194: ok 1445
194: ok 1446
194: ok 1447
194: ok 1448
194: ok 1449
194: ok 1450
194: ok 1451
194: ok 1452
194: ok 1453
194: ok 1454
194: ok 1455
194: ok 1456
194: ok 1457
194: ok 1458
194: ok 1459
194: ok 1460
194: ok 1461
194: ok 1462
194: ok 1463
194: ok 1464
194: ok 1465
194: ok 1466
194: ok 1467
194: ok 1468
194: ok 1469
194: ok 1470
194: ok 1471
194: ok 1472
194: ok 1473
194: ok 1474
194: ok 1475
194: ok 1476
194: ok 1477
194: ok 1478
194: ok 1479
194: ok 1480
194: ok 1481
194: ok 1482
194: ok 1483
194: ok 1484
194: ok 1485
194: ok 1486
194: ok 1487
194: ok 1488
194: ok 1489
194: ok 1490
194: ok 1491
194: ok 1492
194: ok 1493
194: ok 1494
194: ok 1495
194: ok 1496
194: ok 1497
194: ok 1498
194: ok 1499
194: ok 1500
194: ok 1501
194: ok 1502
194: ok 1503
194: ok 1504
194: ok 1505
194: ok 1506
194: ok 1507
194: ok 1508
194: ok 1509
194: ok 1510
194: ok 1511
194: ok 1512
194: ok 1513
194: ok 1514
194: ok 1515
194: ok 1516
194: ok 1517
194: ok 1518
194: ok 1519
194: ok 1520
194: ok 1521
194: ok 1522
194: ok 1523
194: ok 1524
194: ok 1525
194: ok 1526
194: ok 1527
194: ok 1528
194: ok 1529
194: ok 1530
194: ok 1531
194: ok 1532
194: ok 1533
194: ok 1534
194: ok 1535
194: ok 1536
194: ok 1537
194: ok 1538
194: ok 1539
194: ok 1540
194: ok 1541
194: ok 1542
194: ok 1543
194: ok 1544
194: ok 1545
194: ok 1546
194: ok 1547
194: ok 1548
194: ok 1549
194: ok 1550
194: ok 1551
194: ok 1552
194: ok 1553
194: ok 1554
194: ok 1555
194: ok 1556
194: ok 1557
194: ok 1558
194: ok 1559
194: ok 1560
194: ok 1561
194: ok 1562
194: ok 1563
194: ok 1564
194: ok 1565
194: ok 1566
194: ok 1567
194: ok 1568
194: ok 1569
194: ok 1570
194: ok 1571
194: ok 1572
194: ok 1573
194: ok 1574
194: ok 1575
194: ok 1576
194: ok 1577
194: ok 1578
194: ok 1579
194: ok 1580
194: ok 1581
194: ok 1582
194: ok 1583
194: ok 1584
194: ok 1585
194: ok 1586
194: ok 1587
194: ok 1588
194: ok 1589
194: ok 1590
194: ok 1591
194: ok 1592
194: ok 1593
194: ok 1594
194: ok 1595
194: ok 1596
194: ok 1597
194: ok 1598
194: ok 1599
194: ok 1600
194: ok 1601
194: ok 1602
194: ok 1603
194: ok 1604
194: ok 1605
194: ok 1606
194: ok 1607
194: ok 1608
194: ok 1609
194: ok 1610
194: ok 1611
194: ok 1612
194: ok 1613
194: ok 1614
194: ok 1615
194: ok 1616
194: ok 1617
194: ok 1618
194: ok 1619
194: ok 1620
194: ok 1621
194: ok 1622
194: ok 1623
194: ok 1624
194: ok 1625
194: ok 1626
194: ok 1627
194: ok 1628
194: ok 1629
194: ok 1630
194: ok 1631
194: ok 1632
194: ok 1633
194: ok 1634
194: ok 1635
194: ok 1636
194: ok 1637
194: ok 1638
194: ok 1639
194: ok 1640
194: ok 1641
194: ok 1642
194: ok 1643
194: ok 1644
194: ok 1645
194: ok 1646
194: ok 1647
194: ok 1648
194: ok 1649
194: ok 1650
194: ok 1651
194: ok 1652
194: ok 1653
194: ok 1654
194: ok 1655
194: ok 1656
194: ok 1657
194: ok 1658
194: ok 1659
194: ok 1660
194: ok 1661
194: ok 1662
194: ok 1663
194: ok 1664
194: ok 1665
194: ok 1666
194: ok 1667
194: ok 1668
194: ok 1669
194: ok 1670
194: ok 1671
194: ok 1672
194: ok 1673
194: ok 1674
194: ok 1675
194: ok 1676
194: ok 1677
194: ok 1678
194: ok 1679
194: ok 1680
194: ok 1681
194: ok 1682
194: ok 1683
194: ok 1684
194: ok 1685
194: ok 1686
194: ok 1687
194: ok 1688
194: ok 1689
194: ok 1690
194: ok 1691
194: ok 1692
194: ok 1693
194: ok 1694
194: ok 1695
194: ok 1696
194: ok 1697
194: ok 1698
194: ok 1699
194: ok 1700
194: ok 1701
194: ok 1702
194: ok 1703
194: ok 1704
194: ok 1705
194: ok 1706
194: ok 1707
194: ok 1708
194: ok 1709
194: ok 1710
194: ok 1711
194: ok 1712
194: ok 1713
194: ok 1714
194: ok 1715
194: ok 1716
194: ok 1717
194: ok 1718
194: ok 1719
194: ok 1720
194: ok 1721
194: ok 1722
194: ok 1723
194: ok 1724
194: ok 1725
194: ok 1726
194: ok 1727
194: ok 1728
194: ok 1729
194: ok 1730
194: ok 1731
194: ok 1732
194: ok 1733
194: ok 1734
194: ok 1735
194: ok 1736
194: ok 1737
194: ok 1738
194: ok 1739
194: ok 1740
194: ok 1741
194: ok 1742
194: ok 1743
194: ok 1744
194: ok 1745
194: ok 1746
194: ok 1747
194: ok 1748
194: ok 1749
194: ok 1750
194: ok 1751
194: ok 1752
194: ok 1753
194: ok 1754
194: ok 1755
194: ok 1756
194: ok 1757
194: ok 1758
194: ok 1759
194: ok 1760
194: ok 1761
194: ok 1762
194: ok 1763
194: ok 1764
194: ok 1765
194: ok 1766
194: ok 1767
194: ok 1768
194: ok 1769
194: ok 1770
194: ok 1771
194: ok 1772
194: ok 1773
194: ok 1774
194: ok 1775
194: ok 1776
194: ok 1777
194: ok 1778
194: ok 1779
194: ok 1780
194: ok 1781
194: ok 1782
194: ok 1783
194: ok 1784
194: ok 1785
194: ok 1786
194: ok 1787
194: ok 1788
194: ok 1789
194: ok 1790
194: ok 1791
194: ok 1792
194: ok 1793
194: ok 1794
194: ok 1795
194: ok 1796
194: ok 1797
194: ok 1798
194: ok 1799
194: ok 1800
194: ok 1801
194: ok 1802
194: ok 1803
194: ok 1804
194: ok 1805
194: ok 1806
194: ok 1807
194: ok 1808
194: ok 1809
194: ok 1810
194: ok 1811
194: ok 1812
194: ok 1813
194: ok 1814
194: ok 1815
194: ok 1816
194: ok 1817
194: ok 1818
194: ok 1819
194: ok 1820
194: ok 1821
194: ok 1822
194: ok 1823
194: ok 1824
194: ok 1825
194: ok 1826
194: ok 1827
194: ok 1828
194: ok 1829
194: ok 1830
194: ok 1831
194: ok 1832
194: ok 1833
194: ok 1834
194: ok 1835
194: ok 1836
194: ok 1837
194: ok 1838
194: ok 1839
194: ok 1840
194: ok 1841
194: ok 1842
194: ok 1843
194: ok 1844
194: ok 1845
194: ok 1846
194: ok 1847
194: ok 1848
194: ok 1849
194: ok 1850
194: ok 1851
194: ok 1852
194: ok 1853
194: ok 1854
194: ok 1855
194: ok 1856
194: ok 1857
194: ok 1858
194: ok 1859
194: ok 1860
194: ok 1861
194: ok 1862
194: ok 1863
194: ok 1864
194: ok 1865
194: ok 1866
194: ok 1867
194: ok 1868
194: ok 1869
194: ok 1870
194: ok 1871
194: ok 1872
194: ok 1873
194: ok 1874
194: ok 1875
194: ok 1876
194: ok 1877
194: ok 1878
194: ok 1879
194: ok 1880
194: ok 1881
194: ok 1882
194: ok 1883
194: ok 1884
194: ok 1885
194: ok 1886
194: ok 1887
194: ok 1888
194: ok 1889
194: ok 1890
194: ok 1891
194: ok 1892
194: ok 1893
194: ok 1894
194: ok 1895
194: ok 1896
194: ok 1897
194: ok 1898
194: ok 1899
194: ok 1900
194: ok 1901
194: ok 1902
194: ok 1903
194: ok 1904
194: ok 1905
194: ok 1906
194: ok 1907
194: ok 1908
194: ok 1909
194: ok 1910
194: ok 1911
194: ok 1912
194: ok 1913
194: ok 1914
194: ok 1915
194: ok 1916
194: ok 1917
194: ok 1918
194: ok 1919
194: ok 1920
194: ok 1921
194: ok 1922
194: ok 1923
194: ok 1924
194: ok 1925
194: ok 1926
194: ok 1927
194: ok 1928
194: ok 1929
194: ok 1930
194: ok 1931
194: ok 1932
194: ok 1933
194: ok 1934
194: ok 1935
194: ok 1936
194: ok 1937
194: ok 1938
194: ok 1939
194: ok 1940
194: ok 1941
194: ok 1942
194: ok 1943
194: ok 1944
194: ok 1945
194: ok 1946
194: ok 1947
194: ok 1948
194: ok 1949
194: ok 1950
194: ok 1951
194: ok 1952
194: ok 1953
194: ok 1954
194: ok 1955
194: ok 1956
194: ok 1957
194: ok 1958
194: ok 1959
194: ok 1960
194: ok 1961
194: ok 1962
194: ok 1963
194: ok 1964
194: ok 1965
194: ok 1966
194: ok 1967
194: ok 1968
194: ok 1969
194: ok 1970
194: ok 1971
194: ok 1972
194: ok 1973
194: ok 1974
194: ok 1975
194: ok 1976
194: ok 1977
194: ok 1978
194: ok 1979
194: ok 1980
194: ok 1981
194: ok 1982
194: ok 1983
194: ok 1984
194: ok 1985
194: ok 1986
194: ok 1987
194: ok 1988
194: ok 1989
194: ok 1990
194: ok 1991
194: ok 1992
194: ok 1993
194: ok 1994
194: ok 1995
194: ok 1996
194: ok 1997
194: ok 1998
194: ok 1999
194: ok 2000
194: ok 2001
194: ok 2002
194: ok 2003
194: ok 2004
194: ok 2005
194: ok 2006
194: ok 2007
194: ok 2008
194: ok 2009
194: ok 2010
194: ok 2011
194: ok 2012
194: ok 2013
194: ok 2014
194: ok 2015
194: ok 2016
194: ok 2017
194: ok 2018
194: ok 2019
194: ok 2020
194: ok 2021
194: ok 2022
194: ok 2023
194: ok 2024
194: ok 2025
194: ok 2026
194: ok 2027
194: ok 2028
194: ok 2029
194: ok 2030
194: ok 2031
194: ok 2032
194: ok 2033
194: ok 2034
194: ok 2035
194: ok 2036
194: ok 2037
194: ok 2038
194: ok 2039
194: ok 2040
194: ok 2041
194: ok 2042
194: ok 2043
194: ok 2044
194: ok 2045
194: ok 2046
194: ok 2047
194: ok 2048
194: ok 2049
194: ok 2050
194: ok 2051
194: ok 2052
194: ok 2053
194: ok 2054
194: ok 2055
194: ok 2056
194: ok 2057
194: ok 2058
194: ok 2059
194: ok 2060
194: ok 2061
194: ok 2062
194: ok 2063
194: ok 2064
194: ok 2065
194: ok 2066
194: ok 2067
194: ok 2068
194: ok 2069
194: ok 2070
194: ok 2071
194: ok 2072
194: ok 2073
194: ok 2074
194: ok 2075
194: ok 2076
194: ok 2077
194: ok 2078
194: ok 2079
194: ok 2080
194: ok 2081
194: ok 2082
194: ok 2083
194: ok 2084
194: ok 2085
194: ok 2086
194: ok 2087
194: ok 2088
194: ok 2089
194: ok 2090
194: ok 2091
194: ok 2092
194: ok 2093
194: ok 2094
194: ok 2095
194: ok 2096
194: ok 2097
194: ok 2098
194: ok 2099
194: ok 2100
194: ok 2101
194: ok 2102
194: ok 2103
194: ok 2104
194: ok 2105
194: ok 2106
194: ok 2107
194: ok 2108
194: ok 2109
194: ok 2110
194: ok 2111
194: ok 2112
194: ok 2113
194: ok 2114
194: ok 2115
194: ok 2116
194: ok 2117
194: ok 2118
194: ok 2119
194: ok 2120
194: ok 2121
194: ok 2122
194: ok 2123
194: ok 2124
194: ok 2125
194: ok 2126
194: ok 2127
194: ok 2128
194: ok 2129
194: ok 2130
194: ok 2131
194: ok 2132
194: ok 2133
194: ok 2134
194: ok 2135
194: ok 2136
194: ok 2137
194: ok 2138
194: ok 2139
194: ok 2140
194: ok 2141
194: ok 2142
194: ok 2143
194: ok 2144
194: ok 2145
194: ok 2146
194: ok 2147
194: ok 2148
194: ok 2149
194: ok 2150
194: ok 2151
194: ok 2152
194: ok 2153
194: ok 2154
194: ok 2155
194: ok 2156
194: ok 2157
194: ok 2158
194: ok 2159
194: ok 2160
194: ok 2161
194: ok 2162
194: ok 2163
194: ok 2164
194: ok 2165
194: ok 2166
194: ok 2167
194: ok 2168
194: ok 2169
194: ok 2170
194: ok 2171
194: ok 2172
194: ok 2173
194: ok 2174
194: ok 2175
194: ok 2176
194: ok 2177
194: ok 2178
194: ok 2179
194: ok 2180
194: ok 2181
194: ok 2182
194: ok 2183
194: ok 2184
194: ok 2185
194: ok 2186
194: ok 2187
194: ok 2188
194: ok 2189
194: ok 2190
194: ok 2191
194: ok 2192
194: ok 2193
194: ok 2194
194: ok 2195
194: ok 2196
194: ok 2197
194: ok 2198
194: ok 2199
194: ok 2200
194: ok 2201
194: ok 2202
194: ok 2203
194: ok 2204
194: ok 2205
194: ok 2206
194: ok 2207
194: ok 2208
194: ok 2209
194: ok 2210
194: ok 2211
194: ok 2212
194: ok 2213
194: ok 2214
194: ok 2215
194: ok 2216
194: ok 2217
194: ok 2218
194: ok 2219
194: ok 2220
194: ok 2221
194: ok 2222
194: ok 2223
194: ok 2224
194: ok 2225
194: ok 2226
194: ok 2227
194: ok 2228
194: ok 2229
194: ok 2230
194: ok 2231
194: ok 2232
194: ok 2233
194: ok 2234
194: ok 2235
194: ok 2236
194: ok 2237
194: ok 2238
194: ok 2239
194: ok 2240
194: ok 2241
194: ok 2242
194: ok 2243
194: ok 2244
194: ok 2245
194: ok 2246
194: ok 2247
194: ok 2248
194: ok 2249
194: ok 2250
194: ok 2251
194: ok 2252
194: ok 2253
194: ok 2254
194: ok 2255
194: ok 2256
194: ok 2257
194: ok 2258
194: ok 2259
194: ok 2260
194: ok 2261
194: ok 2262
194: ok 2263
194: ok 2264
194: ok 2265
194: ok 2266
194: ok 2267
194: ok 2268
194: ok 2269
194: ok 2270
194: ok 2271
194: ok 2272
194: ok 2273
194: ok 2274
194: ok 2275
194: ok 2276
194: ok 2277
194: ok 2278
194: ok 2279
194: ok 2280
194: ok 2281
194: ok 2282
194: ok 2283
194: ok 2284
194: ok 2285
194: ok 2286
194: ok 2287
194: ok 2288
194: ok 2289
194: ok 2290
194: ok 2291
194: ok 2292
194: ok 2293
194: ok 2294
194: ok 2295
194: ok 2296
194: ok 2297
194: ok 2298
194: ok 2299
194: ok 2300
194: ok 2301
194: ok 2302
194: ok 2303
194: ok 2304
194: ok 2305
194: ok 2306
194: ok 2307
194: ok 2308
194: ok 2309
194: ok 2310
194: ok 2311
194: ok 2312
194: ok 2313
194: ok 2314
194: ok 2315
194: ok 2316
194: ok 2317
194: ok 2318
194: ok 2319
194: ok 2320
194: ok 2321
194: ok 2322
194: ok 2323
194: ok 2324
194: ok 2325
194: ok 2326
194: ok 2327
194: ok 2328
194: ok 2329
194: ok 2330
194: ok 2331
194: ok 2332
194: ok 2333
194: ok 2334
194: ok 2335
194: ok 2336
194: ok 2337
194: ok 2338
194: ok 2339
194: ok 2340
194: ok 2341
194: ok 2342
194: ok 2343
194: ok 2344
194: ok 2345
194: ok 2346
194: ok 2347
194: ok 2348
194: ok 2349
194: ok 2350
194: ok 2351
194: ok 2352
194: ok 2353
194: ok 2354
194: ok 2355
194: ok 2356
194: ok 2357
194: ok 2358
194: ok 2359
194: ok 2360
194: ok 2361
194: ok 2362
194: ok 2363
194: ok 2364
194: ok 2365
194: ok 2366
194: ok 2367
194: ok 2368
194: ok 2369
194: ok 2370
194: ok 2371
194: ok 2372
194: ok 2373
194: ok 2374
194: ok 2375
194: ok 2376
194: ok 2377
194: ok 2378
194: ok 2379
194: ok 2380
194: ok 2381
194: ok 2382
194: ok 2383
194: ok 2384
194: ok 2385
194: ok 2386
194: ok 2387
194: ok 2388
194: ok 2389
194: ok 2390
194: ok 2391
194: ok 2392
194: ok 2393
194: ok 2394
194: ok 2395
194: ok 2396
194: ok 2397
194: ok 2398
194: ok 2399
194: ok 2400
194: ok 2401
194: ok 2402
194: ok 2403
194: ok 2404
194: ok 2405
194: ok 2406
194: ok 2407
194: ok 2408
194: ok 2409
194: ok 2410
194: ok 2411
194: ok 2412
194: ok 2413
194: ok 2414
194: ok 2415
194: ok 2416
194: ok 2417
194: ok 2418
194: ok 2419
194: ok 2420
194: ok 2421
194: ok 2422
194: ok 2423
194: ok 2424
194: ok 2425
194: ok 2426
194: ok 2427
194: ok 2428
194: ok 2429
194: ok 2430
194: ok 2431
194: ok 2432
194: ok 2433
194: ok 2434
194: ok 2435
194: ok 2436
194: ok 2437
194: ok 2438
194: ok 2439
194: ok 2440
194: ok 2441
194: ok 2442
194: ok 2443
194: ok 2444
194: ok 2445
194: ok 2446
194: ok 2447
194: ok 2448
194: ok 2449
194: ok 2450
194: ok 2451
194: ok 2452
194: ok 2453
194: ok 2454
194: ok 2455
194: ok 2456
194: ok 2457
194: ok 2458
194: ok 2459
194: ok 2460
194: ok 2461
194: ok 2462
194: ok 2463
194: ok 2464
194: ok 2465
194: ok 2466
194: ok 2467
194: ok 2468
194: ok 2469
194: ok 2470
194: ok 2471
194: ok 2472
194: ok 2473
194: ok 2474
194: ok 2475
194: ok 2476
194: ok 2477
194: ok 2478
194: ok 2479
194: ok 2480
194: ok 2481
194: ok 2482
194: ok 2483
194: ok 2484
194: ok 2485
194: ok 2486
194: ok 2487
194: ok 2488
194: ok 2489
194: ok 2490
194: ok 2491
194: ok 2492
194: ok 2493
194: ok 2494
194: ok 2495
194: ok 2496
194: ok 2497
194: ok 2498
194: ok 2499
194: ok 2500
194: ok 2501
194: ok 2502
194: ok 2503
194: ok 2504
194: ok 2505
194: ok 2506
194: ok 2507
194: ok 2508
194: ok 2509
194: ok 2510
194: ok 2511
194: ok 2512
194: ok 2513
194: ok 2514
194: ok 2515
194: ok 2516
194: ok 2517
194: ok 2518
194: ok 2519
194: ok 2520
194: ok 2521
194: ok 2522
194: ok 2523
194: ok 2524
194: ok 2525
194: ok 2526
194: ok 2527
194: ok 2528
194: ok 2529
194: ok 2530
194: ok 2531
194: ok 2532
194: ok 2533
194: ok 2534
194: ok 2535
194: ok 2536
194: ok 2537
194: ok 2538
194: ok 2539
194: ok 2540
194: ok 2541
194: ok 2542
194: ok 2543
194: ok 2544
194: ok 2545
194: ok 2546
194: ok 2547
194: ok 2548
194: ok 2549
194: ok 2550
194: ok 2551
194: ok 2552
194: ok 2553
194: ok 2554
194: ok 2555
194: ok 2556
194: ok 2557
194: ok 2558
194: ok 2559
194: ok 2560
194: ok 2561
194: ok 2562
194: ok 2563
194: ok 2564
194: ok 2565
194: ok 2566
194: ok 2567
194: ok 2568
194: ok 2569
194: ok 2570
194: ok 2571
194: ok 2572
194: ok 2573
194: ok 2574
194: ok 2575
194: ok 2576
194: ok 2577
194: ok 2578
194: ok 2579
194: ok 2580
194: ok 2581
194: ok 2582
194: ok 2583
194: ok 2584
194: ok 2585
194: ok 2586
194: ok 2587
194: ok 2588
194: ok 2589
194: ok 2590
194: ok 2591
194: ok 2592
194: ok 2593
194: ok 2594
194: ok 2595
194: ok 2596
194: ok 2597
194: ok 2598
194: ok 2599
194: ok 2600
194: ok 2601
194: ok 2602
194: ok 2603
194: ok 2604
194: ok 2605
194: ok 2606
194: ok 2607
194: ok 2608
194: ok 2609
194: ok 2610
194: ok 2611
194: ok 2612
194: ok 2613
194: ok 2614
194: ok 2615
194: ok 2616
194: ok 2617
194: ok 2618
194: ok 2619
194: ok 2620
194: ok 2621
194: ok 2622
194: ok 2623
194: ok 2624
194: ok 2625
194: ok 2626
194: ok 2627
194: ok 2628
194: ok 2629
194: ok 2630
194: ok 2631
194: ok 2632
194: ok 2633
194: ok 2634
194: ok 2635
194: ok 2636
194: ok 2637
194: ok 2638
194: ok 2639
194: ok 2640
194: ok 2641
194: ok 2642
194: ok 2643
194: ok 2644
194: ok 2645
194: ok 2646
194: ok 2647
194: ok 2648
194: ok 2649
194: ok 2650
194: ok 2651
194: ok 2652
194: ok 2653
194: ok 2654
194: ok 2655
194: ok 2656
194: ok 2657
194: ok 2658
194: ok 2659
194: ok 2660
194: ok 2661
194: ok 2662
194: ok 2663
194: ok 2664
194: ok 2665
194: ok 2666
194: ok 2667
194: ok 2668
194: ok 2669
194: ok 2670
194: ok 2671
194: ok 2672
194: ok 2673
194: ok 2674
194: ok 2675
194: ok 2676
194: ok 2677
194: ok 2678
194: ok 2679
194: ok 2680
194: ok 2681
194: ok 2682
194: ok 2683
194: ok 2684
194: ok 2685
194: ok 2686
194: ok 2687
194: ok 2688
194: ok 2689
194: ok 2690
194: ok 2691
194: ok 2692
194: ok 2693
194: ok 2694
194: ok 2695
194: ok 2696
194: ok 2697
194: ok 2698
194: ok 2699
194: ok 2700
194: ok 2701
194: ok 2702
194: ok 2703
194: ok 2704
194: ok 2705
194: ok 2706
194: ok 2707
194: ok 2708
194: ok 2709
194: ok 2710
194: ok 2711
194: ok 2712
194: ok 2713
194: ok 2714
194: ok 2715
194: ok 2716
194: ok 2717
194: ok 2718
194: ok 2719
194: ok 2720
194: ok 2721
194: ok 2722
194: ok 2723
194: ok 2724
194: ok 2725
194: ok 2726
194: ok 2727
194: ok 2728
194: ok 2729
194: ok 2730
194: ok 2731
194: ok 2732
194: ok 2733
194: ok 2734
194: ok 2735
194: ok 2736
194: ok 2737
194: ok 2738
194: ok 2739
194: ok 2740
194: ok 2741
194: ok 2742
194: ok 2743
194: ok 2744
194: ok 2745
194: ok 2746
194: ok 2747
194: ok 2748
194: ok 2749
194: ok 2750
194: ok 2751
194: ok 2752
194: ok 2753
194: ok 2754
194: ok 2755
194: ok 2756
194: ok 2757
194: ok 2758
194: ok 2759
194: ok 2760
194: ok 2761
194: ok 2762
194: ok 2763
194: ok 2764
194: ok 2765
194: ok 2766
194: ok 2767
194: ok 2768
194: ok 2769
194: ok 2770
194: ok 2771
194: ok 2772
194: ok 2773
194: ok 2774
194: ok 2775
194: ok 2776
194: ok 2777
194: ok 2778
194: ok 2779
194: ok 2780
194: ok 2781
194: ok 2782
194: ok 2783
194: ok 2784
194: ok 2785
194: ok 2786
194: ok 2787
194: ok 2788
194: ok 2789
194: ok 2790
194: ok 2791
194: ok 2792
194: ok 2793
194: ok 2794
194: ok 2795
194: ok 2796
194: ok 2797
194: ok 2798
194: ok 2799
194: ok 2800
194: ok 2801
194: ok 2802
194: ok 2803
194: ok 2804
194: ok 2805
194: ok 2806
194: ok 2807
194: ok 2808
194: ok 2809
194: ok 2810
194: ok 2811
194: ok 2812
194: ok 2813
194: ok 2814
194: ok 2815
194: ok 2816
194: ok 2817
194: ok 2818
194: ok 2819
194: ok 2820
194: ok 2821
194: ok 2822
194: ok 2823
194: ok 2824
194: ok 2825
194: ok 2826
194: ok 2827
194: ok 2828
194: ok 2829
194: ok 2830
194: ok 2831
194: ok 2832
194: ok 2833
194: ok 2834
194: ok 2835
194: ok 2836
194: ok 2837
194: ok 2838
194: ok 2839
194: ok 2840
194: ok 2841
194: ok 2842
194: ok 2843
194: ok 2844
194: ok 2845
194: ok 2846
194: ok 2847
194: ok 2848
194: ok 2849
194: ok 2850
194: ok 2851
194: ok 2852
194: ok 2853
194: ok 2854
194: ok 2855
194: ok 2856
194: ok 2857
194: ok 2858
194: ok 2859
194: ok 2860
194: ok 2861
194: ok 2862
194: ok 2863
194: ok 2864
194: ok 2865
194: ok 2866
194: ok 2867
194: ok 2868
194: ok 2869
194: ok 2870
194: ok 2871
194: ok 2872
194: ok 2873
194: ok 2874
194: ok 2875
194: ok 2876
194: ok 2877
194: ok 2878
194: ok 2879
194: ok 2880
194: ok 2881
194: ok 2882
194: ok 2883
194: ok 2884
194: ok 2885
194: ok 2886
194: ok 2887
194: ok 2888
194: ok 2889
194: ok 2890
194: ok 2891
194: ok 2892
194: ok 2893
194: ok 2894
194: ok 2895
194: ok 2896
194: ok 2897
194: ok 2898
194: ok 2899
194: ok 2900
194: ok 2901
194: ok 2902
194: ok 2903
194: ok 2904
194: ok 2905
194: ok 2906
194: ok 2907
194: ok 2908
194: ok 2909
194: ok 2910
194: ok 2911
194: ok 2912
194: ok 2913
194: ok 2914
194: ok 2915
194: ok 2916
194: ok 2917
194: ok 2918
194: ok 2919
194: ok 2920
194: ok 2921
194: ok 2922
194: ok 2923
194: ok 2924
194: ok 2925
194: ok 2926
194: ok 2927
194: ok 2928
194: ok 2929
194: ok 2930
194: ok 2931
194: ok 2932
194: ok 2933
194: ok 2934
194: ok 2935
194: ok 2936
194: ok 2937
194: ok 2938
194: ok 2939
194: ok 2940
194: ok 2941
194: ok 2942
194: ok 2943
194: ok 2944
194: ok 2945
194: ok 2946
194: ok 2947
194: ok 2948
194: ok 2949
194: ok 2950
194: ok 2951
194: ok 2952
194: ok 2953
194: ok 2954
194: ok 2955
194: ok 2956
194: ok 2957
194: ok 2958
194: ok 2959
194: ok 2960
194: ok 2961
194: ok 2962
194: ok 2963
194: ok 2964
194: ok 2965
194: ok 2966
194: ok 2967
194: ok 2968
194: ok 2969
194: ok 2970
194: ok 2971
194: ok 2972
194: ok 2973
194: ok 2974
194: ok 2975
194: ok 2976
194: ok 2977
194: ok 2978
194: ok 2979
194: ok 2980
194: ok 2981
194: ok 2982
194: ok 2983
194: ok 2984
194: ok 2985
194: ok 2986
194: ok 2987
194: ok 2988
194: ok 2989
194: ok 2990
194: ok 2991
194: ok 2992
194: ok 2993
194: ok 2994
194: ok 2995
194: ok 2996
194: ok 2997
194: ok 2998
194: ok 2999
194: ok 3000
194: ok 3001
194: ok 3002
194: ok 3003
194: ok 3004
194: ok 3005
194: ok 3006
194: ok 3007
194: ok 3008
194: ok 3009
194: ok 3010
194: ok 3011
194: ok 3012
194: ok 3013
194: ok 3014
194: ok 3015
194: ok 3016
194: ok 3017
194: ok 3018
194: ok 3019
194: ok 3020
194: ok 3021
194: ok 3022
194: ok 3023
194: ok 3024
194: ok 3025
194: ok 3026
194: ok 3027
194: ok 3028
194: ok 3029
194: ok 3030
194: ok 3031
194: ok 3032
194: ok 3033
194: ok 3034
194: ok 3035
194: ok 3036
194: ok 3037
194: ok 3038
194: ok 3039
194: ok 3040
194: ok 3041
194: ok 3042
194: ok 3043
194: ok 3044
194: ok 3045
194: ok 3046
194: ok 3047
194: ok 3048
194: ok 3049
194: ok 3050
194: ok 3051
194: ok 3052
194: ok 3053
194: ok 3054
194: ok 3055
194: ok 3056
194: ok 3057
194: ok 3058
194: ok 3059
194: ok 3060
194: ok 3061
194: ok 3062
194: ok 3063
194: ok 3064
194: ok 3065
194: ok 3066
194: ok 3067
194: ok 3068
194: ok 3069
194: ok 3070
194: ok 3071
194: ok 3072
194: ok 3073
194: ok 3074
194: ok 3075
194: ok 3076
194: ok 3077
194: ok 3078
194: ok 3079
194: ok 3080
194: ok 3081
194: ok 3082
194: ok 3083
194: ok 3084
194: ok 3085
194: ok 3086
194: ok 3087
194: ok 3088
194: ok 3089
194: ok 3090
194: ok 3091
194: ok 3092
194: ok 3093
194: ok 3094
194: ok 3095
194: ok 3096
194: ok 3097
194: ok 3098
194: ok 3099
194: ok 3100
194: ok 3101
194: ok 3102
194: ok 3103
194: ok 3104
194: ok 3105
194: ok 3106
194: ok 3107
194: ok 3108
194: ok 3109
194: ok 3110
194: ok 3111
194: ok 3112
194: ok 3113
194: ok 3114
194: ok 3115
194: ok 3116
194: ok 3117
194: ok 3118
194: ok 3119
194: ok 3120
194: ok 3121
194: ok 3122
194: ok 3123
194: ok 3124
194: ok 3125
194: ok 3126
194: ok 3127
194: ok 3128
194: ok 3129
194: ok 3130
194: ok 3131
194: ok 3132
194: ok 3133
194: ok 3134
194: ok 3135
194: ok 3136
194: ok 3137
194: ok 3138
194: ok 3139
194: ok 3140
194: ok 3141
194: ok 3142
194: ok 3143
194: ok 3144
194: ok 3145
194: ok 3146
194: ok 3147
194: ok 3148
194: ok 3149
194: ok 3150
194: ok 3151
194: ok 3152
194: ok 3153
194: ok 3154
194: ok 3155
194: ok 3156
194: ok 3157
194: ok 3158
194: ok 3159
194: ok 3160
194: ok 3161
194: ok 3162
194: ok 3163
194: ok 3164
194: ok 3165
194: ok 3166
194: ok 3167
194: ok 3168
194: ok 3169
194: ok 3170
194: ok 3171
194: ok 3172
194: ok 3173
194: ok 3174
194: ok 3175
194: ok 3176
194: ok 3177
194: ok 3178
194: ok 3179
194: ok 3180
194: ok 3181
194: ok 3182
194: ok 3183
194: ok 3184
194: ok 3185
194: ok 3186
194: ok 3187
194: ok 3188
194: ok 3189
194: ok 3190
194: ok 3191
194: ok 3192
194: ok 3193
194: ok 3194
194: ok 3195
194: ok 3196
194: ok 3197
194: ok 3198
194: ok 3199
194: ok 3200
194: ok 3201
194: ok 3202
194: ok 3203
194: ok 3204
194: ok 3205
194: ok 3206
194: ok 3207
194: ok 3208
194: ok 3209
194: ok 3210
194: ok 3211
194: ok 3212
194: ok 3213
194: ok 3214
194: ok 3215
194: ok 3216
194: ok 3217
194: ok 3218
194: ok 3219
194: ok 3220
194: ok 3221
194: ok 3222
194: ok 3223
194: ok 3224
194: ok 3225
194: ok 3226
194: ok 3227
194: ok 3228
194: ok 3229
194: ok 3230
194: ok 3231
194: ok 3232
194: ok 3233
194: ok 3234
194: ok 3235
194: ok 3236
194: ok 3237
194: ok 3238
194: ok 3239
194: ok 3240
194: ok 3241
194: ok 3242
194: ok 3243
194: ok 3244
194: ok 3245
194: ok 3246
194: ok 3247
194: ok 3248
194: ok 3249
194: ok 3250
194: ok 3251
194: ok 3252
194: ok 3253
194: ok 3254
194: ok 3255
194: ok 3256
194: ok 3257
194: ok 3258
194: ok 3259
194: ok 3260
194: ok 3261
194: ok 3262
194: ok 3263
194: ok 3264
194: ok 3265
194: ok 3266
194: ok 3267
194: ok 3268
194: ok 3269
194: ok 3270
194: ok 3271
194: ok 3272
194: ok 3273
194: ok 3274
194: ok 3275
194: ok 3276
194: ok 3277
194: ok 3278
194: ok 3279
194: ok 3280
194: ok 3281
194: ok 3282
194: ok 3283
194: ok 3284
194: ok 3285
194: ok 3286
194: ok 3287
194: ok 3288
194: ok 3289
194: ok 3290
194: ok 3291
194: ok 3292
194: ok 3293
194: ok 3294
194: ok 3295
194: ok 3296
194: ok 3297
194: ok 3298
194: ok 3299
194: ok 3300
194: ok 3301
194: ok 3302
194: ok 3303
194: ok 3304
194: ok 3305
194: ok 3306
194: ok 3307
194: ok 3308
194: ok 3309
194: ok 3310
194: ok 3311
194: ok 3312
194: ok 3313
194: ok 3314
194: ok 3315
194: ok 3316
194: ok 3317
194: ok 3318
194: ok 3319
194: ok 3320
194: ok 3321
194: ok 3322
194: ok 3323
194: ok 3324
194: ok 3325
194: ok 3326
194: ok 3327
194: ok 3328
194: ok 3329
194: ok 3330
194: ok 3331
194: ok 3332
194: ok 3333
194: ok 3334
194: ok 3335
194: ok 3336
194: ok 3337
194: ok 3338
194: ok 3339
194: ok 3340
194: ok 3341
194: ok 3342
194: ok 3343
194: ok 3344
194: ok 3345
194: ok 3346
194: ok 3347
194: ok 3348
194: ok 3349
194: ok 3350
194: ok 3351
194: ok 3352
194: ok 3353
194: ok 3354
194: ok 3355
194: ok 3356
194: ok 3357
194: ok 3358
194: ok 3359
194: ok 3360
194: ok 3361
194: ok 3362
194: ok 3363
194: ok 3364
194: ok 3365
194: ok 3366
194: ok 3367
194: ok 3368
194: ok 3369
194: ok 3370
194: ok 3371
194: ok 3372
194: ok 3373
194: ok 3374
194: ok 3375
194: ok 3376
194: ok 3377
194: ok 3378
194: ok 3379
194: ok 3380
194: ok 3381
194: ok 3382
194: ok 3383
194: ok 3384
194: ok 3385
194: ok 3386
194: ok 3387
194: ok 3388
194: ok 3389
194: ok 3390
194: ok 3391
194: ok 3392
194: ok 3393
194: ok 3394
194: ok 3395
194: ok 3396
194: ok 3397
194: ok 3398
194: ok 3399
194: ok 3400
194: ok 3401
194: ok 3402
194: ok 3403
194: ok 3404
194: ok 3405
194: ok 3406
194: ok 3407
194: ok 3408
194: ok 3409
194: ok 3410
194: ok 3411
194: ok 3412
194: ok 3413
194: ok 3414
194: ok 3415
194: ok 3416
194: ok 3417
194: ok 3418
194: ok 3419
194: ok 3420
194: ok 3421
194: ok 3422
194: ok 3423
194: ok 3424
194: ok 3425
194: ok 3426
194: ok 3427
194: ok 3428
194: ok 3429
194: ok 3430
194: ok 3431
194: ok 3432
194: ok 3433
194: ok 3434
194: ok 3435
194: ok 3436
194: ok 3437
194: ok 3438
194: ok 3439
194: ok 3440
194: ok 3441
194: ok 3442
194: ok 3443
194: ok 3444
194: ok 3445
194: ok 3446
194: ok 3447
194: ok 3448
194: ok 3449
194: ok 3450
194: ok 3451
194: ok 3452
194: ok 3453
194: ok 3454
194: ok 3455
194: ok 3456
194: ok 3457
194: ok 3458
194: ok 3459
194: ok 3460
194: ok 3461
194: ok 3462
194: ok 3463
194: ok 3464
194: ok 3465
194: ok 3466
194: ok 3467
194: ok 3468
194: ok 3469
194: ok 3470
194: ok 3471
194: ok 3472
194: ok 3473
194: ok 3474
194: ok 3475
194: ok 3476
194: ok 3477
194: ok 3478
194: ok 3479
194: ok 3480
194: ok 3481
194: ok 3482
194: ok 3483
194: ok 3484
194: ok 3485
194: ok 3486
194: ok 3487
194: ok 3488
194: ok 3489
194: ok 3490
194: ok 3491
194: ok 3492
194: ok 3493
194: ok 3494
194: ok 3495
194: ok 3496
194: ok 3497
194: ok 3498
194: ok 3499
194: ok 3500
194: ok 3501
194: ok 3502
194: ok 3503
194: ok 3504
194: ok 3505
194: ok 3506
194: ok 3507
194: ok 3508
194: ok 3509
194: ok 3510
194: ok 3511
194: ok 3512
194: ok 3513
194: ok 3514
194: ok 3515
194: ok 3516
194: ok 3517
194: ok 3518
194: ok 3519
194: ok 3520
194: ok 3521
194: ok 3522
194: ok 3523
194: ok 3524
194: ok 3525
194: ok 3526
194: ok 3527
194: ok 3528
194: ok 3529
194: ok 3530
194: ok 3531
194: ok 3532
194: ok 3533
194: ok 3534
194: ok 3535
194: ok 3536
194: ok 3537
194: ok 3538
194: ok 3539
194: ok 3540
194: ok 3541
194: ok 3542
194: ok 3543
194: ok 3544
194: ok 3545
194: ok 3546
194: ok 3547
194: ok 3548
194: ok 3549
194: ok 3550
194: ok 3551
194: ok 3552
194: ok 3553
194: ok 3554
194: ok 3555
194: ok 3556
194: ok 3557
194: ok 3558
194: ok 3559
194: ok 3560
194: ok 3561
194: ok 3562
194: ok 3563
194: ok 3564
194: ok 3565
194: ok 3566
194: ok 3567
194: ok 3568
194: ok 3569
194: ok 3570
194: ok 3571
194: ok 3572
194: ok 3573
194: ok 3574
194: ok 3575
194: ok 3576
194: ok 3577
194: ok 3578
194: ok 3579
194: ok 3580
194: ok 3581
194: ok 3582
194: ok 3583
194: ok 3584
194: ok 3585
194: ok 3586
194: ok 3587
194: ok 3588
194: ok 3589
194: ok 3590
194: ok 3591
194: ok 3592
194: ok 3593
194: ok 3594
194: ok 3595
194: ok 3596
194: ok 3597
194: ok 3598
194: ok 3599
194: ok 3600
194: ok 3601
194: ok 3602
194: ok 3603
194: ok 3604
194: ok 3605
194: ok 3606
194: ok 3607
194: ok 3608
194: ok 3609
194: ok 3610
194: ok 3611
194: ok 3612
194: ok 3613
194: ok 3614
194: ok 3615
194: ok 3616
194: ok 3617
194: ok 3618
194: ok 3619
194: ok 3620
194: ok 3621
194: ok 3622
194: ok 3623
194: ok 3624
194: ok 3625
194: ok 3626
194: ok 3627
194: ok 3628
194: ok 3629
194: ok 3630
194: ok 3631
194: ok 3632
194: ok 3633
194: ok 3634
194: ok 3635
194: ok 3636
194: ok 3637
194: ok 3638
194: ok 3639
194: ok 3640
194: ok 3641
194: ok 3642
194: ok 3643
194: ok 3644
194: ok 3645
194: ok 3646
194: ok 3647
194: ok 3648
194: ok 3649
194: ok 3650
194: ok 3651
194: ok 3652
194: ok 3653
194: ok 3654
194: ok 3655
194: ok 3656
194: ok 3657
194: ok 3658
194: ok 3659
194: ok 3660
194: ok 3661
194: ok 3662
194: ok 3663
194: ok 3664
194: ok 3665
194: ok 3666
194: ok 3667
194: ok 3668
194: ok 3669
194: ok 3670
194: ok 3671
194: ok 3672
194: ok 3673
194: ok 3674
194: ok 3675
194: ok 3676
194: ok 3677
194: ok 3678
194: ok 3679
194: ok 3680
194: ok 3681
194: ok 3682
194: ok 3683
194: ok 3684
194: ok 3685
194: ok 3686
194: ok 3687
194: ok 3688
194: ok 3689
194: ok 3690
194: ok 3691
194: ok 3692
194: ok 3693
194: ok 3694
194: ok 3695
194: ok 3696
194: ok 3697
194: ok 3698
194: ok 3699
194: ok 3700
194: ok 3701
194: ok 3702
194: ok 3703
194: ok 3704
194: ok 3705
194: ok 3706
194: ok 3707
194: ok 3708
194: ok 3709
194: ok 3710
194: ok 3711
194: ok 3712
194: ok 3713
194: ok 3714
194: ok 3715
194: ok 3716
194: ok 3717
194: ok 3718
194: ok 3719
194: ok 3720
194: ok 3721
194: ok 3722
194: ok 3723
194: ok 3724
194: ok 3725
194: ok 3726
194: ok 3727
194: ok 3728
194: ok 3729
194: ok 3730
194: ok 3731
194: ok 3732
194: ok 3733
194: ok 3734
194: ok 3735
194: ok 3736
194: ok 3737
194: ok 3738
194: ok 3739
194: ok 3740
194: ok 3741
194: ok 3742
194: ok 3743
194: ok 3744
194: ok 3745
194: ok 3746
194: ok 3747
194: ok 3748
194: ok 3749
194: ok 3750
194: ok 3751
194: ok 3752
194: ok 3753
194: ok 3754
194: ok 3755
194: ok 3756
194: ok 3757
194: ok 3758
194: ok 3759
194: ok 3760
194: ok 3761
194: ok 3762
194: ok 3763
194: ok 3764
194: ok 3765
194: ok 3766
194: ok 3767
194: ok 3768
194: ok 3769
194: ok 3770
194: ok 3771
194: ok 3772
194: ok 3773
194: ok 3774
194: ok 3775
194: ok 3776
194: ok 3777
194: ok 3778
194: ok 3779
194: ok 3780
194: ok 3781
194: ok 3782
194: ok 3783
194: ok 3784
194: ok 3785
194: ok 3786
194: ok 3787
194: ok 3788
194: ok 3789
194: ok 3790
194: ok 3791
194: ok 3792
194: ok 3793
194: ok 3794
194: ok 3795
194: ok 3796
194: ok 3797
194: ok 3798
194: ok 3799
194: ok 3800
194: ok 3801
194: ok 3802
194: ok 3803
194: ok 3804
194: ok 3805
194: ok 3806
194: ok 3807
194: ok 3808
194: ok 3809
194: ok 3810
194: ok 3811
194: ok 3812
194: ok 3813
194: ok 3814
194: ok 3815
194: ok 3816
194: ok 3817
194: ok 3818
194: ok 3819
194: ok 3820
194: ok 3821
194: ok 3822
194: ok 3823
194: ok 3824
194: ok 3825
194: ok 3826
194: ok 3827
194: ok 3828
194: ok 3829
194: ok 3830
194: ok 3831
194: ok 3832
194: ok 3833
194: ok 3834
194: ok 3835
194: ok 3836
194: ok 3837
194: ok 3838
194: ok 3839
194: ok 3840
194: ok 3841
194: ok 3842
194: ok 3843
194: ok 3844
194: ok 3845
194: ok 3846
194: ok 3847
194: ok 3848
194: ok 3849
194: ok 3850
194: ok 3851
194: ok 3852
194: ok 3853
194: ok 3854
194: ok 3855
194: ok 3856
194: ok 3857
194: ok 3858
194: ok 3859
194: ok 3860
194: ok 3861
194: ok 3862
194: ok 3863
194: ok 3864
194: ok 3865
194: ok 3866
194: ok 3867
194: ok 3868
194: ok 3869
194: ok 3870
194: ok 3871
194: ok 3872
194: ok 3873
194: ok 3874
194: ok 3875
194: ok 3876
194: ok 3877
194: ok 3878
194: ok 3879
194: ok 3880
194: ok 3881
194: ok 3882
194: ok 3883
194: ok 3884
194: ok 3885
194: ok 3886
194: ok 3887
194: ok 3888
194: ok 3889
194: ok 3890
194: ok 3891
194: ok 3892
194: ok 3893
194: ok 3894
194: ok 3895
194: ok 3896
194: ok 3897
194: ok 3898
194: ok 3899
194: ok 3900
194: ok 3901
194: ok 3902
194: ok 3903
194: ok 3904
194: ok 3905
194: ok 3906
194: ok 3907
194: ok 3908
194: ok 3909
194: ok 3910
194: ok 3911
194: ok 3912
194: ok 3913
194: ok 3914
194: ok 3915
194: ok 3916
194: ok 3917
194: ok 3918
194: ok 3919
194: ok 3920
194: ok 3921
194: ok 3922
194: ok 3923
194: ok 3924
194: ok 3925
194: ok 3926
194: ok 3927
194: ok 3928
194: ok 3929
194: ok 3930
194: ok 3931
194: ok 3932
194: ok 3933
194: ok 3934
194: ok 3935
194: ok 3936
194: ok 3937
194: ok 3938
194: ok 3939
194: ok 3940
194: ok 3941
194: ok 3942
194: ok 3943
194: ok 3944
194: ok 3945
194: ok 3946
194: ok 3947
194: ok 3948
194: ok 3949
194: ok 3950
194: ok 3951
194: ok 3952
194: ok 3953
194: ok 3954
194: ok 3955
194: ok 3956
194: ok 3957
194: ok 3958
194: ok 3959
194: ok 3960
194: ok 3961
194: ok 3962
194: ok 3963
194: ok 3964
194: ok 3965
194: ok 3966
194: ok 3967
194: ok 3968
194: ok 3969
194: ok 3970
194: ok 3971
194: ok 3972
194: ok 3973
194: ok 3974
194: ok 3975
194: ok 3976
194: ok 3977
194: ok 3978
194: ok 3979
194: ok 3980
194: ok 3981
194: ok 3982
194: ok 3983
194: ok 3984
194: ok 3985
194: ok 3986
194: ok 3987
194: ok 3988
194: ok 3989
194: ok 3990
194: ok 3991
194: ok 3992
194: ok 3993
194: ok 3994
194: ok 3995
194: ok 3996
194: ok 3997
194: ok 3998
194: ok 3999
194: ok 4000
194: ok 4001
194: ok 4002
194: ok 4003
194: ok 4004
194: ok 4005
194: ok 4006
194: ok 4007
194: ok 4008
194: ok 4009
194: ok 4010
194: ok 4011
194: ok 4012
194: ok 4013
194: ok 4014
194: ok 4015
194: ok 4016
194: ok 4017
194: ok 4018
194: ok 4019
194: ok 4020
194: ok 4021
194: ok 4022
194: ok 4023
194: ok 4024
194: ok 4025
194: ok 4026
194: ok 4027
194: ok 4028
194: ok 4029
194: ok 4030
194: ok 4031
194: ok 4032
194: ok 4033
194: ok 4034
194: ok 4035
194: ok 4036
194: ok 4037
194: ok 4038
194: ok 4039
194: ok 4040
194: ok 4041
194: ok 4042
194: ok 4043
194: ok 4044
194: ok 4045
194: ok 4046
194: ok 4047
194: ok 4048
194: ok 4049
194: ok 4050
194: ok 4051
194: ok 4052
194: ok 4053
194: ok 4054
194: ok 4055
194: ok 4056
194: ok 4057
194: ok 4058
194: ok 4059
194: ok 4060
194: ok 4061
194: ok 4062
194: ok 4063
194: ok 4064
194: ok 4065
194: ok 4066
194: ok 4067
194: ok 4068
194: ok 4069
194: ok 4070
194: ok 4071
194: ok 4072
194: ok 4073
194: ok 4074
194: ok 4075
194: ok 4076
194: ok 4077
194: ok 4078
194: ok 4079
194: ok 4080
194: ok 4081
194: ok 4082
194: ok 4083
194: ok 4084
194: ok 4085
194: ok 4086
194: ok 4087
194: ok 4088
194: ok 4089
194: ok 4090
194: ok 4091
194: ok 4092
194: ok 4093
194: ok 4094
194: ok 4095
194: ok 4096
194: ok 4097
194: ok 4098
194: ok 4099
194: ok 4100
194: ok 4101
194: ok 4102
194: ok 4103
194: ok 4104
194: ok 4105
194: ok 4106
194: ok 4107
194: ok 4108
194: ok 4109
194: ok 4110
194: ok 4111
194: ok 4112
194: ok 4113
194: ok 4114
194: ok 4115
194: ok 4116
194: ok 4117
194: ok 4118
194: ok 4119
194: ok 4120
194: ok 4121
194: ok 4122
194: ok 4123
194: ok 4124
194: ok 4125
194: ok 4126
194: ok 4127
194: ok 4128
194: ok 4129
194: ok 4130
194: ok 4131
194: ok 4132
194: ok 4133
194: ok 4134
194: ok 4135
194: ok 4136
194: ok 4137
194: ok 4138
194: ok 4139
194: ok 4140
194: ok 4141
194: ok 4142
194: ok 4143
194: ok 4144
194: ok 4145
194: ok 4146
194: ok 4147
194: ok 4148
194: ok 4149
194: ok 4150
194: ok 4151
194: ok 4152
194: ok 4153
194: ok 4154
194: ok 4155
194: ok 4156
194: ok 4157
194: ok 4158
194: ok 4159
194: ok 4160
194: ok 4161
194: ok 4162
194: ok 4163
194: ok 4164
194: ok 4165
194: ok 4166
194: ok 4167
194: ok 4168
194: ok 4169
194: ok 4170
194: ok 4171
194: ok 4172
194: ok 4173
194: ok 4174
194: ok 4175
194: ok 4176
194: ok 4177
194: ok 4178
194: ok 4179
194: ok 4180
194: ok 4181
194: ok 4182
194: ok 4183
194: ok 4184
194: ok 4185
194: ok 4186
194: ok 4187
194: ok 4188
194: ok 4189
194: ok 4190
194: ok 4191
194: ok 4192
194: ok 4193
194: ok 4194
194: ok 4195
194: ok 4196
194: ok 4197
194: ok 4198
194: ok 4199
194: ok 4200
194: ok 4201
194: ok 4202
194: ok 4203
194: ok 4204
194: ok 4205
194: ok 4206
194: ok 4207
194: ok 4208
194: ok 4209
194: ok 4210
194: ok 4211
194: ok 4212
194: ok 4213
194: ok 4214
194: ok 4215
194: ok 4216
194: ok 4217
194: ok 4218
194: ok 4219
194: ok 4220
194: ok 4221
194: ok 4222
194: ok 4223
194: ok 4224
194: ok 4225
194: ok 4226
194: ok 4227
194: ok 4228
194: ok 4229
194: ok 4230
194: ok 4231
194: ok 4232
194: ok 4233
194: ok 4234
194: ok 4235
194: ok 4236
194: ok 4237
194: ok 4238
194: ok 4239
194: ok 4240
194: ok 4241
194: ok 4242
194: ok 4243
194: ok 4244
194: ok 4245
194: ok 4246
194: ok 4247
194: ok 4248
194: ok 4249
194: ok 4250
194: ok 4251
194: ok 4252
194: ok 4253
194: ok 4254
194: ok 4255
194: ok 4256
194: ok 4257
194: ok 4258
194: ok 4259
194: ok 4260
194: ok 4261
194: ok 4262
194: ok 4263
194: ok 4264
194: ok 4265
194: ok 4266
194: ok 4267
194: ok 4268
194: ok 4269
194: ok 4270
194: ok 4271
194: ok 4272
194: ok 4273
194: ok 4274
194: ok 4275
194: ok 4276
194: ok 4277
194: ok 4278
194: ok 4279
194: ok 4280
194: ok 4281
194: ok 4282
194: ok 4283
194: ok 4284
194: ok 4285
194: ok 4286
194: ok 4287
194: ok 4288
194: ok 4289
194: ok 4290
194: ok 4291
194: ok 4292
194: ok 4293
194: ok 4294
194: ok 4295
194: ok 4296
194: ok 4297
194: ok 4298
194: ok 4299
194: ok 4300
194: ok 4301
194: ok 4302
194: ok 4303
194: ok 4304
194: ok 4305
194: ok 4306
194: ok 4307
194: ok 4308
194: ok 4309
194: ok 4310
194: ok 4311
194: ok 4312
194: ok 4313
194: ok 4314
194: ok 4315
194: ok 4316
194: ok 4317
194: ok 4318
194: ok 4319
194: ok 4320
194: ok 4321
194: ok 4322
194: ok 4323
194: ok 4324
194: ok 4325
194: ok 4326
194: ok 4327
194: ok 4328
194: ok 4329
194: ok 4330
194: ok 4331
194: ok 4332
194: ok 4333
194: ok 4334
194: ok 4335
194: ok 4336
194: ok 4337
194: ok 4338
194: ok 4339
194: ok 4340
194: ok 4341
194: ok 4342
194: ok 4343
194: ok 4344
194: ok 4345
194: ok 4346
194: ok 4347
194: ok 4348
194: ok 4349
194: ok 4350
194: ok 4351
194: ok 4352
194: ok 4353
194: ok 4354
194: ok 4355
194: ok 4356
194: ok 4357
194: ok 4358
194: ok 4359
194: ok 4360
194: ok 4361
194: ok 4362
194: ok 4363
194: ok 4364
194: ok 4365
194: ok 4366
194: ok 4367
194: ok 4368
194: ok 4369
194: ok 4370
194: ok 4371
194: ok 4372
194: ok 4373
194: ok 4374
194: ok 4375
194: ok 4376
194: ok 4377
194: ok 4378
194: ok 4379
194: ok 4380
194: ok 4381
194: ok 4382
194: ok 4383
194: ok 4384
194: ok 4385
194: ok 4386
194: ok 4387
194: ok 4388
194: ok 4389
194: ok 4390
194: ok 4391
194: ok 4392
194: ok 4393
194: ok 4394
194: ok 4395
194: ok 4396
194: ok 4397
194: ok 4398
194: ok 4399
194: ok 4400
194: ok 4401
194: ok 4402
194: ok 4403
194: ok 4404
194: ok 4405
194: ok 4406
194: ok 4407
194: ok 4408
194: ok 4409
194: ok 4410
194: ok 4411
194: ok 4412
194: ok 4413
194: ok 4414
194: ok 4415
194: ok 4416
194: ok 4417
194: ok 4418
194: ok 4419
194: ok 4420
194: ok 4421
194: ok 4422
194: ok 4423
194: ok 4424
194: ok 4425
194: ok 4426
194: ok 4427
194: ok 4428
194: ok 4429
194: ok 4430
194: ok 4431
194: ok 4432
194: ok 4433
194: ok 4434
194: ok 4435
194: ok 4436
194: ok 4437
194: ok 4438
194: ok 4439
194: ok 4440
194: ok 4441
194: ok 4442
194: ok 4443
194: ok 4444
194: ok 4445
194: ok 4446
194: ok 4447
194: ok 4448
194: ok 4449
194: ok 4450
194: ok 4451
194: ok 4452
194: ok 4453
194: ok 4454
194: ok 4455
194: ok 4456
194: ok 4457
194: ok 4458
194: ok 4459
194: ok 4460
194: ok 4461
194: ok 4462
194: ok 4463
194: ok 4464
194: ok 4465
194: ok 4466
194: ok 4467
194: ok 4468
194: ok 4469
194: ok 4470
194: ok 4471
194: ok 4472
194: ok 4473
194: ok 4474
194: ok 4475
194: ok 4476
194: ok 4477
194: ok 4478
194: ok 4479
194: ok 4480
194: ok 4481
194: ok 4482
194: ok 4483
194: ok 4484
194: ok 4485
194: ok 4486
194: ok 4487
194: ok 4488
194: ok 4489
194: ok 4490
194: ok 4491
194: ok 4492
194: ok 4493
194: ok 4494
194: ok 4495
194: ok 4496
194: ok 4497
194: ok 4498
194: ok 4499
194: ok 4500
194: ok 4501
194: ok 4502
194: ok 4503
194: ok 4504
194: ok 4505
194: ok 4506
194: ok 4507
194: ok 4508
194: ok 4509
194: ok 4510
194: ok 4511
194: ok 4512
194: ok 4513
194: ok 4514
194: ok 4515
194: ok 4516
194: ok 4517
194: ok 4518
194: ok 4519
194: ok 4520
194: ok 4521
194: ok 4522
194: ok 4523
194: ok 4524
194: ok 4525
194: ok 4526
194: ok 4527
194: ok 4528
194: ok 4529
194: ok 4530
194: ok 4531
194: ok 4532
194: ok 4533
194: ok 4534
194: ok 4535
194: ok 4536
194: ok 4537
194: ok 4538
194: ok 4539
194: ok 4540
194: ok 4541
194: ok 4542
194: ok 4543
194: ok 4544
194: ok 4545
194: ok 4546
194: ok 4547
194: ok 4548
194: ok 4549
194: ok 4550
194: ok 4551
194: ok 4552
194: ok 4553
194: ok 4554
194: ok 4555
194: ok 4556
194: ok 4557
194: ok 4558
194: ok 4559
194: ok 4560
194: ok 4561
194: ok 4562
194: ok 4563
194: ok 4564
194: ok 4565
194: ok 4566
194: ok 4567
194: ok 4568
194: ok 4569
194: ok 4570
194: ok 4571
194: ok 4572
194: ok 4573
194: ok 4574
194: ok 4575
194: ok 4576
194: ok 4577
194: ok 4578
194: ok 4579
194: ok 4580
194: ok 4581
194: ok 4582
194: ok 4583
194: ok 4584
194: ok 4585
194: ok 4586
194: ok 4587
194: ok 4588
194: ok 4589
194: ok 4590
194: ok 4591
194: ok 4592
194: ok 4593
194: ok 4594
194: ok 4595
194: ok 4596
194: ok 4597
194: ok 4598
194: ok 4599
194: ok 4600
194: ok 4601
194: ok 4602
194: ok 4603
194: ok 4604
194: ok 4605
194: ok 4606
194: ok 4607
194: ok 4608
194: ok 4609
194: ok 4610
194: ok 4611
194: ok 4612
194: ok 4613
194: ok 4614
194: ok 4615
194: ok 4616
194: ok 4617
194: ok 4618
194: ok 4619
194: ok 4620
194: ok 4621
194: ok 4622
194: ok 4623
194: ok 4624
194: ok 4625
194: ok 4626
194: ok 4627
194: ok 4628
194: ok 4629
194: ok 4630
194: ok 4631
194: ok 4632
194: ok 4633
194: ok 4634
194: ok 4635
194: ok 4636
194: ok 4637
194: ok 4638
194: ok 4639
194: ok 4640
194: ok 4641
194: ok 4642
194: ok 4643
194: ok 4644
194: ok 4645
194: ok 4646
194: ok 4647
194: ok 4648
194: ok 4649
194: ok 4650
194: ok 4651
194: ok 4652
194: ok 4653
194: ok 4654
194: ok 4655
194: ok 4656
194: ok 4657
194: ok 4658
194: ok 4659
194: ok 4660
194: ok 4661
194: ok 4662
194: ok 4663
194: ok 4664
194: ok 4665
194: ok 4666
194: ok 4667
194: ok 4668
194: ok 4669
194: ok 4670
194: ok 4671
194: ok 4672
194: ok 4673
194: ok 4674
194: ok 4675
194: ok 4676
194: ok 4677
194: ok 4678
194: ok 4679
194: ok 4680
194: ok 4681
194: ok 4682
194: ok 4683
194: ok 4684
194: ok 4685
194: ok 4686
194: ok 4687
194: ok 4688
194: ok 4689
194: ok 4690
194: ok 4691
194: ok 4692
194: ok 4693
194: ok 4694
194: ok 4695
194: ok 4696
194: ok 4697
194: ok 4698
194: ok 4699
194: ok 4700
194: ok 4701
194: ok 4702
194: ok 4703
194: ok 4704
194: ok 4705
194: ok 4706
194: ok 4707
194: ok 4708
194: ok 4709
194: ok 4710
194: ok 4711
194: ok 4712
194: ok 4713
194: ok 4714
194: ok 4715
194: ok 4716
194: ok 4717
194: ok 4718
194: ok 4719
194: ok 4720
194: ok 4721
194: ok 4722
194: ok 4723
194: ok 4724
194: ok 4725
194: ok 4726
194: ok 4727
194: ok 4728
194: ok 4729
194: ok 4730
194: ok 4731
194: ok 4732
194: ok 4733
194: ok 4734
194: ok 4735
194: ok 4736
194: ok 4737
194: ok 4738
194: ok 4739
194: ok 4740
194: ok 4741
194: ok 4742
194: ok 4743
194: ok 4744
194: ok 4745
194: ok 4746
194: ok 4747
194: ok 4748
194: ok 4749
194: ok 4750
194: ok 4751
194: ok 4752
194: ok 4753
194: ok 4754
194: ok 4755
194: ok 4756
194: ok 4757
194: ok 4758
194: ok 4759
194: ok 4760
194: ok 4761
194: ok 4762
194: ok 4763
194: ok 4764
194: ok 4765
194: ok 4766
194: ok 4767
194: ok 4768
194: ok 4769
194: ok 4770
194: ok 4771
194: ok 4772
194: ok 4773
194: ok 4774
194: ok 4775
194: ok 4776
194: ok 4777
194: ok 4778
194: ok 4779
194: ok 4780
194: ok 4781
194: ok 4782
194: ok 4783
194: ok 4784
194: ok 4785
194: ok 4786
194: ok 4787
194: ok 4788
194: ok 4789
194: ok 4790
194: ok 4791
194: ok 4792
194: ok 4793
194: ok 4794
194: ok 4795
194: ok 4796
194: ok 4797
194: ok 4798
194: ok 4799
194: ok 4800
194: ok 4801
194: ok 4802
194: ok 4803
194: ok 4804
194: ok 4805
194: ok 4806
194: ok 4807
194: ok 4808
194: ok 4809
194: ok 4810
194: ok 4811
194: ok 4812
194: ok 4813
194: ok 4814
194: ok 4815
194: ok 4816
194: ok 4817
194: ok 4818
194: ok 4819
194: ok 4820
194: ok 4821
194: ok 4822
194: ok 4823
194: ok 4824
194: ok 4825
194: ok 4826
194: ok 4827
194: ok 4828
194: ok 4829
194: ok 4830
194: ok 4831
194: ok 4832
194: ok 4833
194: ok 4834
194: ok 4835
194: ok 4836
194: ok 4837
194: ok 4838
194: ok 4839
194: ok 4840
194: ok 4841
194: ok 4842
194: ok 4843
194: ok 4844
194: ok 4845
194: ok 4846
194: ok 4847
194: ok 4848
194: ok 4849
194: ok 4850
194: ok 4851
194: ok 4852
194: ok 4853
194: ok 4854
194: ok 4855
194: ok 4856
194: ok 4857
194: ok 4858
194: ok 4859
194: ok 4860
194: ok 4861
194: ok 4862
194: ok 4863
194: ok 4864
194: ok 4865
194: ok 4866
194: ok 4867
194: ok 4868
194: ok 4869
194: ok 4870
194: ok 4871
194: ok 4872
194: ok 4873
194: ok 4874
194: ok 4875
194: ok 4876
194: ok 4877
194: ok 4878
194: ok 4879
194: ok 4880
194: ok 4881
194: ok 4882
194: ok 4883
194: ok 4884
194: ok 4885
194: ok 4886
194: ok 4887
194: ok 4888
194: ok 4889
194: ok 4890
194: ok 4891
194: ok 4892
194: ok 4893
194: ok 4894
194: ok 4895
194: ok 4896
194: ok 4897
194: ok 4898
194: ok 4899
194: ok 4900
194: ok 4901
194: ok 4902
194: ok 4903
194: ok 4904
194: ok 4905
194: ok 4906
194: ok 4907
194: ok 4908
194: ok 4909
194: ok 4910
194: ok 4911
194: ok 4912
194: ok 4913
194: ok 4914
194: ok 4915
194: ok 4916
194: ok 4917
194: ok 4918
194: ok 4919
194: ok 4920
194: ok 4921
194: ok 4922
194: ok 4923
194: ok 4924
194: ok 4925
194: ok 4926
194: ok 4927
194: ok 4928
194: ok 4929
194: ok 4930
194: ok 4931
194: ok 4932
194: ok 4933
194: ok 4934
194: ok 4935
194: ok 4936
194: ok 4937
194: ok 4938
194: ok 4939
194: ok 4940
194: ok 4941
194: ok 4942
194: ok 4943
194: ok 4944
194: ok 4945
194: ok 4946
194: ok 4947
194: ok 4948
194: ok 4949
194: ok 4950
194: ok 4951
194: ok 4952
194: ok 4953
194: ok 4954
194: ok 4955
194: ok 4956
194: ok 4957
194: ok 4958
194: ok 4959
194: ok 4960
194: ok 4961
194: ok 4962
194: ok 4963
194: ok 4964
194: ok 4965
194: ok 4966
194: ok 4967
194: ok 4968
194: ok 4969
194: ok 4970
194: ok 4971
194: ok 4972
194: ok 4973
194: ok 4974
194: ok 4975
194: ok 4976
194: ok 4977
194: ok 4978
194: ok 4979
194: ok 4980
194: ok 4981
194: ok 4982
194: ok 4983
194: ok 4984
194: ok 4985
194: ok 4986
194: ok 4987
194: ok 4988
194: ok 4989
194: ok 4990
194: ok 4991
194: ok 4992
194: ok 4993
194: ok 4994
194: ok 4995
194: ok 4996
194: ok 4997
194: ok 4998
194: ok 4999
194: ok 5000
194: ok 5001
194: ok 5002
194: ok 5003
194: ok 5004
194: ok 5005
194: ok 5006
194: ok 5007
194: ok 5008
194: ok 5009
194: ok 5010
194: ok 5011
194: ok 5012
194: ok 5013
194: ok 5014
194: ok 5015
194: ok 5016
194: ok 5017
194: ok 5018
194: ok 5019
194: ok 5020
194: ok 5021
194: ok 5022
194: ok 5023
194: ok 5024
194: ok 5025
194: ok 5026
194: ok 5027
194: ok 5028
194: ok 5029
194: ok 5030
194: ok 5031
194: ok 5032
194: ok 5033
194: ok 5034
194: ok 5035
194: ok 5036
194: ok 5037
194: ok 5038
194: ok 5039
194: ok 5040
194: ok 5041
194: ok 5042
194: ok 5043
194: ok 5044
194: ok 5045
194: ok 5046
194: ok 5047
194: ok 5048
194: ok 5049
194: ok 5050
194: ok 5051
194: ok 5052
194: ok 5053
194: ok 5054
194: ok 5055
194: ok 5056
194: ok 5057
194: ok 5058
194: ok 5059
194: ok 5060
194: ok 5061
194: ok 5062
194: ok 5063
194: ok 5064
194: ok 5065
194: ok 5066
194: ok 5067
194: ok 5068
194: ok 5069
194: ok 5070
194: ok 5071
194: ok 5072
194: ok 5073
194: ok 5074
194: ok 5075
194: ok 5076
194: ok 5077
194: ok 5078
194: ok 5079
194: ok 5080
194: ok 5081
194: ok 5082
194: ok 5083
194: ok 5084
194: ok 5085
194: ok 5086
194: ok 5087
194: ok 5088
194: ok 5089
194: ok 5090
194: ok 5091
194: ok 5092
194: ok 5093
194: ok 5094
194: ok 5095
194: ok 5096
194: ok 5097
194: ok 5098
194: ok 5099
194: ok 5100
194: ok 5101
194: ok 5102
194: ok 5103
194: ok 5104
194: ok 5105
194: ok 5106
194: ok 5107
194: ok 5108
194: ok 5109
194: ok 5110
194: ok 5111
194: ok 5112
194: ok 5113
194: ok 5114
194: ok 5115
194: ok 5116
194: ok 5117
194: ok 5118
194: ok 5119
194: ok 5120
194: ok 5121
194: ok 5122
194: ok 5123
194: ok 5124
194: ok 5125
194: ok 5126
194: ok 5127
194: ok 5128
194: ok 5129
194: ok 5130
194: ok 5131
194: ok 5132
194: ok 5133
194: ok 5134
194: ok 5135
194: ok 5136
194: ok 5137
194: ok 5138
194: ok 5139
194: ok 5140
194: ok 5141
194: ok 5142
194: ok 5143
194: ok 5144
194: ok 5145
194: ok 5146
194: ok 5147
194: ok 5148
194: ok 5149
194: ok 5150
194: ok 5151
194: ok 5152
194: ok 5153
194: ok 5154
194: ok 5155
194: ok 5156
194: ok 5157
194: ok 5158
194: ok 5159
194: ok 5160
194: ok 5161
194: ok 5162
194: ok 5163
194: ok 5164
194: ok 5165
194: ok 5166
194: ok 5167
194: ok 5168
194: ok 5169
194: ok 5170
194: ok 5171
194: ok 5172
194: ok 5173
194: ok 5174
194: ok 5175
194: ok 5176
194: ok 5177
194: ok 5178
194: ok 5179
194: ok 5180
194: ok 5181
194: ok 5182
194: ok 5183
194: ok 5184
194: ok 5185
194: ok 5186
194: ok 5187
194: ok 5188
194: ok 5189
194: ok 5190
194: ok 5191
194: ok 5192
194: ok 5193
194: ok 5194
194: ok 5195
194: ok 5196
194: ok 5197
194: ok 5198
194: ok 5199
194: ok 5200
194: ok 5201
194: ok 5202
194: ok 5203
194: ok 5204
194: ok 5205
194: ok 5206
194: ok 5207
194: ok 5208
194: ok 5209
194: ok 5210
194: ok 5211
194: ok 5212
194: ok 5213
194: ok 5214
194: ok 5215
194: ok 5216
194: ok 5217
194: ok 5218
194: ok 5219
194: ok 5220
194: ok 5221
194: ok 5222
194: ok 5223
194: ok 5224
194: ok 5225
194: ok 5226
194: ok 5227
194: ok 5228
194: ok 5229
194: ok 5230
194: ok 5231
194: ok 5232
194: ok 5233
194: ok 5234
194: ok 5235
194: ok 5236
194: ok 5237
194: ok 5238
194: ok 5239
194: ok 5240
194: ok 5241
194: ok 5242
194: ok 5243
194: ok 5244
194: ok 5245
194: ok 5246
194: ok 5247
194: ok 5248
194: ok 5249
194: ok 5250
194: ok 5251
194: ok 5252
194: ok 5253
194: ok 5254
194: ok 5255
194: ok 5256
194: ok 5257
194: ok 5258
194: ok 5259
194: ok 5260
194: ok 5261
194: ok 5262
194: ok 5263
194: ok 5264
194: ok 5265
194: ok 5266
194: ok 5267
194: ok 5268
194: ok 5269
194: ok 5270
194: ok 5271
194: ok 5272
194: ok 5273
194: ok 5274
194: ok 5275
194: ok 5276
194: ok 5277
194: ok 5278
194: ok 5279
194: ok 5280
194: ok 5281
194: ok 5282
194: ok 5283
194: ok 5284
194: ok 5285
194: ok 5286
194: ok 5287
194: ok 5288
194: ok 5289
194: ok 5290
194: ok 5291
194: ok 5292
194: ok 5293
194: ok 5294
194: ok 5295
194: ok 5296
194: ok 5297
194: ok 5298
194: ok 5299
194: ok 5300
194: ok 5301
194: ok 5302
194: ok 5303
194: ok 5304
194: ok 5305
194: ok 5306
194: ok 5307
194: ok 5308
194: ok 5309
194: ok 5310
194: ok 5311
194: ok 5312
194: ok 5313
194: ok 5314
194: ok 5315
194: ok 5316
194: ok 5317
194: ok 5318
194: ok 5319
194: ok 5320
194: ok 5321
194: ok 5322
194: ok 5323
194: ok 5324
194: ok 5325
194: ok 5326
194: ok 5327
194: ok 5328
194: ok 5329
194: ok 5330
194: ok 5331
194: ok 5332
194: ok 5333
194: ok 5334
194: ok 5335
194: ok 5336
194: ok 5337
194: ok 5338
194: ok 5339
194: ok 5340
194: ok 5341
194: ok 5342
194: ok 5343
194: ok 5344
194: ok 5345
194: ok 5346
194: ok 5347
194: ok 5348
194: ok 5349
194: ok 5350
194: ok 5351
194: ok 5352
194: ok 5353
194: ok 5354
194: ok 5355
194: ok 5356
194: ok 5357
194: ok 5358
194: ok 5359
194: ok 5360
194: ok 5361
194: ok 5362
194: ok 5363
194: ok 5364
194: ok 5365
194: ok 5366
194: ok 5367
194: ok 5368
194: ok 5369
194: ok 5370
194: ok 5371
194: ok 5372
194: ok 5373
194: ok 5374
194: ok 5375
194: ok 5376
194: ok 5377
194: ok 5378
194: ok 5379
194: ok 5380
194: ok 5381
194: ok 5382
194: ok 5383
194: ok 5384
194: ok 5385
194: ok 5386
194: ok 5387
194: ok 5388
194: ok 5389
194: ok 5390
194: ok 5391
194: ok 5392
194: ok 5393
194: ok 5394
194: ok 5395
194: ok 5396
194: ok 5397
194: ok 5398
194: ok 5399
194: ok 5400
194: ok 5401
194: ok 5402
194: ok 5403
194: ok 5404
194: ok 5405
194: ok 5406
194: ok 5407
194: ok 5408
194: ok 5409
194: ok 5410
194: ok 5411
194: ok 5412
194: ok 5413
194: ok 5414
194: ok 5415
194: ok 5416
194: ok 5417
194: ok 5418
194: ok 5419
194: ok 5420
194: ok 5421
194: ok 5422
194: ok 5423
194: ok 5424
194: ok 5425
194: ok 5426
194: ok 5427
194: ok 5428
194: ok 5429
194: ok 5430
194: ok 5431
194: ok 5432
194: ok 5433
194: ok 5434
194: ok 5435
194: ok 5436
194: ok 5437
194: ok 5438
194: ok 5439
194: ok 5440
194: ok 5441
194: ok 5442
194: ok 5443
194: ok 5444
194: ok 5445
194: ok 5446
194: ok 5447
194: ok 5448
194: ok 5449
194: ok 5450
194: ok 5451
194: ok 5452
194: ok 5453
194: ok 5454
194: ok 5455
194: ok 5456
194: ok 5457
194: ok 5458
194: ok 5459
194: ok 5460
194: ok 5461
194: ok 5462
194: ok 5463
194: ok 5464
194: ok 5465
194: ok 5466
194: ok 5467
194: ok 5468
194: ok 5469
194: ok 5470
194: ok 5471
194: ok 5472
194: ok 5473
194: ok 5474
194: ok 5475
194: ok 5476
194: ok 5477
194: ok 5478
194: ok 5479
194: ok 5480
194: ok 5481
194: ok 5482
194: ok 5483
194: ok 5484
194: ok 5485
194: ok 5486
194: ok 5487
194: ok 5488
194: ok 5489
194: ok 5490
194: ok 5491
194: ok 5492
194: ok 5493
194: ok 5494
194: ok 5495
194: ok 5496
194: ok 5497
194: ok 5498
194: ok 5499
194: ok 5500
194: ok 5501
194: ok 5502
194: ok 5503
194: ok 5504
194: ok 5505
194: ok 5506
194: ok 5507
194: ok 5508
194: ok 5509
194: ok 5510
194: ok 5511
194: ok 5512
194: ok 5513
194: ok 5514
194: ok 5515
194: ok 5516
194: ok 5517
194: ok 5518
194: ok 5519
194: ok 5520
194: ok 5521
194: ok 5522
194: ok 5523
194: ok 5524
194: ok 5525
194: ok 5526
194: ok 5527
194: ok 5528
194: ok 5529
194: ok 5530
194: ok 5531
194: ok 5532
194: ok 5533
194: ok 5534
194: ok 5535
194: ok 5536
194: ok 5537
194: ok 5538
194: ok 5539
194: ok 5540
194: ok 5541
194: ok 5542
194: ok 5543
194: ok 5544
194: ok 5545
194: ok 5546
194: ok 5547
194: ok 5548
194: ok 5549
194: ok 5550
194: ok 5551
194: ok 5552
194: ok 5553
194: ok 5554
194: ok 5555
194: ok 5556
194: ok 5557
194: ok 5558
194: ok 5559
194: ok 5560
194: ok 5561
194: ok 5562
194: ok 5563
194: ok 5564
194: ok 5565
194: ok 5566
194: ok 5567
194: ok 5568
194: ok 5569
194: ok 5570
194: ok 5571
194: ok 5572
194: ok 5573
194: ok 5574
194: ok 5575
194: ok 5576
194: ok 5577
194: ok 5578
194: ok 5579
194: ok 5580
194: ok 5581
194: ok 5582
194: ok 5583
194: ok 5584
194: ok 5585
194: ok 5586
194: ok 5587
194: ok 5588
194: ok 5589
194: ok 5590
194: ok 5591
194: ok 5592
194: ok 5593
194: ok 5594
194: ok 5595
194: ok 5596
194: ok 5597
194: ok 5598
194: ok 5599
194: ok 5600
194: ok 5601
194: ok 5602
194: ok 5603
194: ok 5604
194: ok 5605
194: ok 5606
194: ok 5607
194: ok 5608
194: ok 5609
194: ok 5610
194: ok 5611
194: ok 5612
194: ok 5613
194: ok 5614
194: ok 5615
194: ok 5616
194: ok 5617
194: ok 5618
194: ok 5619
194: ok 5620
194: ok 5621
194: ok 5622
194: ok 5623
194: ok 5624
194: ok 5625
194: ok 5626
194: ok 5627
194: ok 5628
194: ok 5629
194: ok 5630
194: ok 5631
194: ok 5632
194: ok 5633
194: ok 5634
194: ok 5635
194: ok 5636
194: ok 5637
194: ok 5638
194: ok 5639
194: ok 5640
194: ok 5641
194: ok 5642
194: ok 5643
194: ok 5644
194: ok 5645
194: ok 5646
194: ok 5647
194: ok 5648
194: ok 5649
194: ok 5650
194: ok 5651
194: ok 5652
194: ok 5653
194: ok 5654
194: ok 5655
194: ok 5656
194: ok 5657
194: ok 5658
194: ok 5659
194: ok 5660
194: ok 5661
194: ok 5662
194: ok 5663
194: ok 5664
194: ok 5665
194: ok 5666
194: ok 5667
194: ok 5668
194: ok 5669
194: ok 5670
194: ok 5671
194: ok 5672
194: ok 5673
194: ok 5674
194: ok 5675
194: ok 5676
194: ok 5677
194: ok 5678
194: ok 5679
194: ok 5680
194: ok 5681
194: ok 5682
194: ok 5683
194: ok 5684
194: ok 5685
194: ok 5686
194: ok 5687
194: ok 5688
194: ok 5689
194: ok 5690
194: ok 5691
194: ok 5692
194: ok 5693
194: ok 5694
194: ok 5695
194: ok 5696
194: ok 5697
194: ok 5698
194: ok 5699
194: ok 5700
194: ok 5701
194: ok 5702
194: ok 5703
194: ok 5704
194: ok 5705
194: ok 5706
194: ok 5707
194: ok 5708
194: ok 5709
194: ok 5710
194: ok 5711
194: ok 5712
194: ok 5713
194: ok 5714
194: ok 5715
194: ok 5716
194: ok 5717
194: ok 5718
194: ok 5719
194: ok 5720
194: ok 5721
194: ok 5722
194: ok 5723
194: ok 5724
194: ok 5725
194: ok 5726
194: ok 5727
194: ok 5728
194: ok 5729
194: ok 5730
194: ok 5731
194: ok 5732
194: ok 5733
194: ok 5734
194: ok 5735
194: ok 5736
194: ok 5737
194: ok 5738
194: ok 5739
194: ok 5740
194: ok 5741
194: ok 5742
194: ok 5743
194: ok 5744
194: ok 5745
194: ok 5746
194: ok 5747
194: ok 5748
194: ok 5749
194: ok 5750
194: ok 5751
194: ok 5752
194: ok 5753
194: ok 5754
194: ok 5755
194: ok 5756
194: ok 5757
194: ok 5758
194: ok 5759
194: ok 5760
194: ok 5761
194: ok 5762
194: ok 5763
194: ok 5764
194: ok 5765
194: ok 5766
194: ok 5767
194: ok 5768
194: ok 5769
194: ok 5770
194: ok 5771
194: ok 5772
194: ok 5773
194: ok 5774
194: ok 5775
194: ok 5776
194: ok 5777
194: ok 5778
194: ok 5779
194: ok 5780
194: ok 5781
194: ok 5782
194: ok 5783
194: ok 5784
194: ok 5785
194: ok 5786
194: ok 5787
194: ok 5788
194: ok 5789
194: ok 5790
194: ok 5791
194: ok 5792
194: ok 5793
194: ok 5794
194: ok 5795
194: ok 5796
194: ok 5797
194: ok 5798
194: ok 5799
194: ok 5800
194: ok 5801
194: ok 5802
194: ok 5803
194: ok 5804
194: ok 5805
194: ok 5806
194: ok 5807
194: ok 5808
194: ok 5809
194: ok 5810
194: ok 5811
194: ok 5812
194: ok 5813
194: ok 5814
194: ok 5815
194: ok 5816
194: ok 5817
194: ok 5818
194: ok 5819
194: ok 5820
194: ok 5821
194: ok 5822
194: ok 5823
194: ok 5824
194: ok 5825
194: ok 5826
194: ok 5827
194: ok 5828
194: ok 5829
194: ok 5830
194: ok 5831
194: ok 5832
194: ok 5833
194: ok 5834
194: ok 5835
194: ok 5836
194: ok 5837
194: ok 5838
194: ok 5839
194: ok 5840
194: ok 5841
194: ok 5842
194: ok 5843
194: ok 5844
194: ok 5845
194: ok 5846
194: ok 5847
194: ok 5848
194: ok 5849
194: ok 5850
194: ok 5851
194: ok 5852
194: ok 5853
194: ok 5854
194: ok 5855
194: ok 5856
194: ok 5857
194: ok 5858
194: ok 5859
194: ok 5860
194: ok 5861
194: ok 5862
194: ok 5863
194: ok 5864
194: ok 5865
194: ok 5866
194: ok 5867
194: ok 5868
194: ok 5869
194: ok 5870
194: ok 5871
194: ok 5872
194: ok 5873
194: ok 5874
194: ok 5875
194: ok 5876
194: ok 5877
194: ok 5878
194: ok 5879
194: ok 5880
194: ok 5881
194: ok 5882
194: ok 5883
194: ok 5884
194: ok 5885
194: ok 5886
194: ok 5887
194: ok 5888
194: ok 5889
194: ok 5890
194: ok 5891
194: ok 5892
194: ok 5893
194: ok 5894
194: ok 5895
194: ok 5896
194: ok 5897
194: ok 5898
194: ok 5899
194: ok 5900
194: ok 5901
194: ok 5902
194: ok 5903
194: ok 5904
194: ok 5905
194: ok 5906
194: ok 5907
194: ok 5908
194: ok 5909
194: ok 5910
194: ok 5911
194: ok 5912
194: ok 5913
194: ok 5914
194: ok 5915
194: ok 5916
194: ok 5917
194: ok 5918
194: ok 5919
194: ok 5920
194: ok 5921
194: ok 5922
194: ok 5923
194: ok 5924
194: ok 5925
194: ok 5926
194: ok 5927
194: ok 5928
194: ok 5929
194: ok 5930
194: ok 5931
194: ok 5932
194: ok 5933
194: ok 5934
194: ok 5935
194: ok 5936
194: ok 5937
194: ok 5938
194: ok 5939
194: ok 5940
194: ok 5941
194: ok 5942
194: ok 5943
194: ok 5944
194: ok 5945
194: ok 5946
194: ok 5947
194: ok 5948
194: ok 5949
194: ok 5950
194: ok 5951
194: ok 5952
194: ok 5953
194: ok 5954
194: ok 5955
194: ok 5956
194: ok 5957
194: ok 5958
194: ok 5959
194: ok 5960
194: ok 5961
194: ok 5962
194: ok 5963
194: ok 5964
194: ok 5965
194: ok 5966
194: ok 5967
194: ok 5968
194: ok 5969
194: ok 5970
194: ok 5971
194: ok 5972
194: ok 5973
194: ok 5974
194: ok 5975
194: ok 5976
194: ok 5977
194: ok 5978
194: ok 5979
194: ok 5980
194: ok 5981
194: ok 5982
194: ok 5983
194: ok 5984
194: ok 5985
194: ok 5986
194: ok 5987
194: ok 5988
194: ok 5989
194: ok 5990
194: ok 5991
194: ok 5992
194: ok 5993
194: ok 5994
194: ok 5995
194: ok 5996
194: ok 5997
194: ok 5998
194: ok 5999
194: ok 6000
194: ok 6001
194: ok 6002
194: ok 6003
194: ok 6004
194: ok 6005
194: ok 6006
194: ok 6007
194: ok 6008
194: ok 6009
194: ok 6010
194: ok 6011
194: ok 6012
194: ok 6013
194: ok 6014
194: ok 6015
194: ok 6016
194: ok 6017
194: ok 6018
194: ok 6019
194: ok 6020
194: ok 6021
194: ok 6022
194: ok 6023
194: ok 6024
194: ok 6025
194: ok 6026
194: ok 6027
194: ok 6028
194: ok 6029
194: ok 6030
194: ok 6031
194: ok 6032
194: ok 6033
194: ok 6034
194: ok 6035
194: ok 6036
194: ok 6037
194: ok 6038
194: ok 6039
194: ok 6040
194: ok 6041
194: ok 6042
194: ok 6043
194: ok 6044
194: ok 6045
194: ok 6046
194: ok 6047
194: ok 6048
194: ok 6049
194: ok 6050
194: ok 6051
194: ok 6052
194: ok 6053
194: ok 6054
194: ok 6055
194: ok 6056
194: ok 6057
194: ok 6058
194: ok 6059
194: ok 6060
194: ok 6061
194: ok 6062
194: ok 6063
194: ok 6064
194: ok 6065
194: ok 6066
194: ok 6067
194: ok 6068
194: ok 6069
194: ok 6070
194: ok 6071
194: ok 6072
194: ok 6073
194: ok 6074
194: ok 6075
194: ok 6076
194: ok 6077
194: ok 6078
194: ok 6079
194: ok 6080
194: ok 6081
194: ok 6082
194: ok 6083
194: ok 6084
194: ok 6085
194: ok 6086
194: ok 6087
194: ok 6088
194: ok 6089
194: ok 6090
194: ok 6091
194: ok 6092
194: ok 6093
194: ok 6094
194: ok 6095
194: ok 6096
194: ok 6097
194: ok 6098
194: ok 6099
194: ok 6100
194: ok 6101
194: ok 6102
194: ok 6103
194: ok 6104
194: ok 6105
194: ok 6106
194: ok 6107
194: ok 6108
194: ok 6109
194: ok 6110
194: ok 6111
194: ok 6112
194: ok 6113
194: ok 6114
194: ok 6115
194: ok 6116
194: ok 6117
194: ok 6118
194: ok 6119
194: ok 6120
194: ok 6121
194: ok 6122
194: ok 6123
194: ok 6124
194: ok 6125
194: ok 6126
194: ok 6127
194: ok 6128
194: ok 6129
194: ok 6130
194: ok 6131
194: ok 6132
194: ok 6133
194: ok 6134
194: ok 6135
194: ok 6136
194: ok 6137
194: ok 6138
194: ok 6139
194: ok 6140
194: ok 6141
194: ok 6142
194: ok 6143
194: ok 6144
194: ok 6145
194: ok 6146
194: ok 6147
194: ok 6148
194: ok 6149
194: ok 6150
194: ok 6151
194: ok 6152
194: ok 6153
194: ok 6154
194: ok 6155
194: ok 6156
194: ok 6157
194: ok 6158
194: ok 6159
194: ok 6160
194: ok 6161
194: ok 6162
194: ok 6163
194: ok 6164
194: ok 6165
194: ok 6166
194: ok 6167
194: ok 6168
194: ok 6169
194: ok 6170
194: ok 6171
194: ok 6172
194: ok 6173
194: ok 6174
194: ok 6175
194: ok 6176
194: ok 6177
194: ok 6178
194: ok 6179
194: ok 6180
194: ok 6181
194: ok 6182
194: ok 6183
194: ok 6184
194: ok 6185
194: ok 6186
194: ok 6187
194: ok 6188
194: ok 6189
194: ok 6190
194: ok 6191
194: ok 6192
194: ok 6193
194: ok 6194
194: ok 6195
194: ok 6196
194: ok 6197
194: ok 6198
194: ok 6199
194: ok 6200
194: ok 6201
194: ok 6202
194: ok 6203
194: ok 6204
194: ok 6205
194: ok 6206
194: ok 6207
194: ok 6208
194: ok 6209
194: ok 6210
194: ok 6211
194: ok 6212
194: ok 6213
194: ok 6214
194: ok 6215
194: ok 6216
194: ok 6217
194: ok 6218
194: ok 6219
194: ok 6220
194: ok 6221
194: ok 6222
194: ok 6223
194: ok 6224
194: ok 6225
194: ok 6226
194: ok 6227
194: ok 6228
194: ok 6229
194: ok 6230
194: ok 6231
194: ok 6232
194: ok 6233
194: ok 6234
194: ok 6235
194: ok 6236
194: ok 6237
194: ok 6238
194: ok 6239
194: ok 6240
194: ok 6241
194: ok 6242
194: ok 6243
194: ok 6244
194: ok 6245
194: ok 6246
194: ok 6247
194: ok 6248
194: ok 6249
194: ok 6250
194: ok 6251
194: ok 6252
194: ok 6253
194: ok 6254
194: ok 6255
194: ok 6256
194: ok 6257
194: ok 6258
194: ok 6259
194: ok 6260
194: ok 6261
194: ok 6262
194: ok 6263
194: ok 6264
194: ok 6265
194: ok 6266
194: ok 6267
194: ok 6268
194: ok 6269
194: ok 6270
194: ok 6271
194: ok 6272
194: ok 6273
194: ok 6274
194: ok 6275
194: ok 6276
194: ok 6277
194: ok 6278
194: ok 6279
194: ok 6280
194: ok 6281
194: ok 6282
194: ok 6283
194: ok 6284
194: ok 6285
194: ok 6286
194: ok 6287
194: ok 6288
194: ok 6289
194: ok 6290
194: ok 6291
194: ok 6292
194: ok 6293
194: ok 6294
194: ok 6295
194: ok 6296
194: ok 6297
194: ok 6298
194: ok 6299
194: ok 6300
194: ok 6301
194: ok 6302
194: ok 6303
194: ok 6304
194: ok 6305
194: ok 6306
194: ok 6307
194: ok 6308
194: ok 6309
194: ok 6310
194: ok 6311
194: ok 6312
194: ok 6313
194: ok 6314
194: ok 6315
194: ok 6316
194: ok 6317
194: ok 6318
194: ok 6319
194: ok 6320
194: ok 6321
194: ok 6322
194: ok 6323
194: ok 6324
194: ok 6325
194: ok 6326
194: ok 6327
194: ok 6328
194: ok 6329
194: ok 6330
194: ok 6331
194: ok 6332
194: ok 6333
194: ok 6334
194: ok 6335
194: ok 6336
194: ok 6337
194: ok 6338
194: ok 6339
194: ok 6340
194: ok 6341
194: ok 6342
194: ok 6343
194: ok 6344
194: ok 6345
194: ok 6346
194: ok 6347
194: ok 6348
194: ok 6349
194: ok 6350
194: ok 6351
194: ok 6352
194: ok 6353
194: ok 6354
194: ok 6355
194: ok 6356
194: ok 6357
194: ok 6358
194: ok 6359
194: ok 6360
194: ok 6361
194: ok 6362
194: ok 6363
194: ok 6364
194: ok 6365
194: ok 6366
194: ok 6367
194: ok 6368
194: ok 6369
194: ok 6370
194: ok 6371
194: ok 6372
194: ok 6373
194: ok 6374
194: ok 6375
194: ok 6376
194: ok 6377
194: ok 6378
194: ok 6379
194: ok 6380
194: ok 6381
194: ok 6382
194: ok 6383
194: ok 6384
194: ok 6385
194: ok 6386
194: ok 6387
194: ok 6388
194: ok 6389
194: ok 6390
194: ok 6391
194: ok 6392
194: ok 6393
194: ok 6394
194: ok 6395
194: ok 6396
194: ok 6397
194: ok 6398
194: ok 6399
194: ok 6400
194: ok 6401
194: ok 6402
194: ok 6403
194: ok 6404
194: ok 6405
194: ok 6406
194: ok 6407
194: ok 6408
194: ok 6409
194: ok 6410
194: ok 6411
194: ok 6412
194: ok 6413
194: ok 6414
194: ok 6415
194: ok 6416
194: ok 6417
194: ok 6418
194: ok 6419
194: ok 6420
194: ok 6421
194: ok 6422
194: ok 6423
194: ok 6424
194: ok 6425
194: ok 6426
194: ok 6427
194: ok 6428
194: ok 6429
194: ok 6430
194: ok 6431
194: ok 6432
194: ok 6433
194: ok 6434
194: ok 6435
194: ok 6436
194: ok 6437
194: ok 6438
194: ok 6439
194: ok 6440
194: ok 6441
194: ok 6442
194: ok 6443
194: ok 6444
194: ok 6445
194: ok 6446
194: ok 6447
194: ok 6448
194: ok 6449
194: ok 6450
194: ok 6451
194: ok 6452
194: ok 6453
194: ok 6454
194: ok 6455
194: ok 6456
194: ok 6457
194: ok 6458
194: ok 6459
194: ok 6460
194: ok 6461
194: ok 6462
194: ok 6463
194: ok 6464
194: ok 6465
194: ok 6466
194: ok 6467
194: ok 6468
194: ok 6469
194: ok 6470
194: ok 6471
194: ok 6472
194: ok 6473
194: ok 6474
194: ok 6475
194: ok 6476
194: ok 6477
194: ok 6478
194: ok 6479
194: ok 6480
194: ok 6481
194: ok 6482
194: ok 6483
194: ok 6484
194: ok 6485
194: ok 6486
194: ok 6487
194: ok 6488
194: ok 6489
194: ok 6490
194: ok 6491
194: ok 6492
194: ok 6493
194: ok 6494
194: ok 6495
194: ok 6496
194: ok 6497
194: ok 6498
194: ok 6499
194: ok 6500
194: ok 6501
194: ok 6502
194: ok 6503
194: ok 6504
194: ok 6505
194: ok 6506
194: ok 6507
194: ok 6508
194: ok 6509
194: ok 6510
194: ok 6511
194: ok 6512
194: ok 6513
194: ok 6514
194: ok 6515
194: ok 6516
194: ok 6517
194: ok 6518
194: ok 6519
194: ok 6520
194: ok 6521
194: ok 6522
194: ok 6523
194: ok 6524
194: ok 6525
194: ok 6526
194: ok 6527
194: ok 6528
194: ok 6529
194: ok 6530
194: ok 6531
194: ok 6532
194: ok 6533
194: ok 6534
194: ok 6535
194: ok 6536
194: ok 6537
194: ok 6538
194: ok 6539
194: ok 6540
194: ok 6541
194: ok 6542
194: ok 6543
194: ok 6544
194: ok 6545
194: ok 6546
194: ok 6547
194: ok 6548
194: ok 6549
194: ok 6550
194: ok 6551
194: ok 6552
194: ok 6553
194: ok 6554
194: ok 6555
194: ok 6556
194: ok 6557
194: ok 6558
194: ok 6559
194: ok 6560
194: ok 6561
194: ok 6562
194: ok 6563
194: ok 6564
194: ok 6565
194: ok 6566
194: ok 6567
194: ok 6568
194: ok 6569
194: ok 6570
194: ok 6571
194: ok 6572
194: ok 6573
194: ok 6574
194: ok 6575
194: ok 6576
194: ok 6577
194: ok 6578
194: ok 6579
194: ok 6580
194: ok 6581
194: ok 6582
194: ok 6583
194: ok 6584
194: ok 6585
194: ok 6586
194: ok 6587
194: ok 6588
194: ok 6589
194: ok 6590
194: ok 6591
194: ok 6592
194: ok 6593
194: ok 6594
194: ok 6595
194: ok 6596
194: ok 6597
194: ok 6598
194: ok 6599
194: ok 6600
194: ok 6601
194: ok 6602
194: ok 6603
194: ok 6604
194: ok 6605
194: ok 6606
194: ok 6607
194: ok 6608
194: ok 6609
194: ok 6610
194: ok 6611
194: ok 6612
194: ok 6613
194: ok 6614
194: ok 6615
194: ok 6616
194: ok 6617
194: ok 6618
194: ok 6619
194: ok 6620
194: ok 6621
194: ok 6622
194: ok 6623
194: ok 6624
194: ok 6625
194: ok 6626
194: ok 6627
194: ok 6628
194: ok 6629
194: ok 6630
194: ok 6631
194: ok 6632
194: ok 6633
194: ok 6634
194: ok 6635
194: ok 6636
194: ok 6637
194: ok 6638
194: ok 6639
194: ok 6640
194: ok 6641
194: ok 6642
194: ok 6643
194: ok 6644
194: ok 6645
194: ok 6646
194: ok 6647
194: ok 6648
194: ok 6649
194: ok 6650
194: ok 6651
194: ok 6652
194: ok 6653
194: ok 6654
194: ok 6655
194: ok 6656
194: ok 6657
194: ok 6658
194: ok 6659
194: ok 6660
194: ok 6661
194: ok 6662
194: ok 6663
194: ok 6664
194: ok 6665
194: ok 6666
194: ok 6667
194: ok 6668
194: ok 6669
194: ok 6670
194: ok 6671
194: ok 6672
194: ok 6673
194: ok 6674
194: ok 6675
194: ok 6676
194: ok 6677
194: ok 6678
194: ok 6679
194: ok 6680
194: ok 6681
194: ok 6682
194: ok 6683
194: ok 6684
194: ok 6685
194: ok 6686
194: ok 6687
194: ok 6688
194: ok 6689
194: ok 6690
194: ok 6691
194: ok 6692
194: ok 6693
194: ok 6694
194: ok 6695
194: ok 6696
194: ok 6697
194: ok 6698
194: ok 6699
194: ok 6700
194: ok 6701
194: ok 6702
194: ok 6703
194: ok 6704
194: ok 6705
194: ok 6706
194: ok 6707
194: ok 6708
194: ok 6709
194: ok 6710
194: ok 6711
194: ok 6712
194: ok 6713
194: ok 6714
194: ok 6715
194: ok 6716
194: ok 6717
194: ok 6718
194: ok 6719
194: ok 6720
194: ok 6721
194: ok 6722
194: ok 6723
194: ok 6724
194: ok 6725
194: ok 6726
194: ok 6727
194: ok 6728
194: ok 6729
194: ok 6730
194: ok 6731
194: ok 6732
194: ok 6733
194: ok 6734
194: ok 6735
194: ok 6736
194: ok 6737
194: ok 6738
194: ok 6739
194: ok 6740
194: ok 6741
194: ok 6742
194: ok 6743
194: ok 6744
194: ok 6745
194: ok 6746
194: ok 6747
194: ok 6748
194: ok 6749
194: ok 6750
194: ok 6751
194: ok 6752
194: ok 6753
194: ok 6754
194: ok 6755
194: ok 6756
194: ok 6757
194: ok 6758
194: ok 6759
194: ok 6760
194: ok 6761
194: ok 6762
194: ok 6763
194: ok 6764
194: ok 6765
194: ok 6766
194: ok 6767
194: ok 6768
194: ok 6769
194: ok 6770
194: ok 6771
194: ok 6772
194: ok 6773
194: ok 6774
194: ok 6775
194: ok 6776
194: ok 6777
194: ok 6778
194: ok 6779
194: ok 6780
194: ok 6781
194: ok 6782
194: ok 6783
194: ok 6784
194: ok 6785
194: ok 6786
194: ok 6787
194: ok 6788
194: ok 6789
194: ok 6790
194: ok 6791
194: ok 6792
194: ok 6793
194: ok 6794
194: ok 6795
194: ok 6796
194: ok 6797
194: ok 6798
194: ok 6799
194: ok 6800
194: ok 6801
194: ok 6802
194: ok 6803
194: ok 6804
194: ok 6805
194: ok 6806
194: ok 6807
194: ok 6808
194: ok 6809
194: ok 6810
194: ok 6811
194: ok 6812
194: ok 6813
194: ok 6814
194: ok 6815
194: ok 6816
194: ok 6817
194: ok 6818
194: ok 6819
194: ok 6820
194: ok 6821
194: ok 6822
194: ok 6823
194: ok 6824
194: ok 6825
194: ok 6826
194: ok 6827
194: ok 6828
194: ok 6829
194: ok 6830
194: ok 6831
194: ok 6832
194: ok 6833
194: ok 6834
194: ok 6835
194: ok 6836
194: ok 6837
194: ok 6838
194: ok 6839
194: ok 6840
194: ok 6841
194: ok 6842
194: ok 6843
194: ok 6844
194: ok 6845
194: ok 6846
194: ok 6847
194: ok 6848
194: ok 6849
194: ok 6850
194: ok 6851
194: ok 6852
194: ok 6853
194: ok 6854
194: ok 6855
194: ok 6856
194: ok 6857
194: ok 6858
194: ok 6859
194: ok 6860
194: ok 6861
194: ok 6862
194: ok 6863
194: ok 6864
194: ok 6865
194: ok 6866
194: ok 6867
194: ok 6868
194: ok 6869
194: ok 6870
194: ok 6871
194: ok 6872
194: ok 6873
194: ok 6874
194: ok 6875
194: ok 6876
194: ok 6877
194: ok 6878
194: ok 6879
194: ok 6880
194: ok 6881
194: ok 6882
194: ok 6883
194: ok 6884
194: ok 6885
194: ok 6886
194: ok 6887
194: ok 6888
194: ok 6889
194: ok 6890
194: ok 6891
194: ok 6892
194: ok 6893
194: ok 6894
194: ok 6895
194: ok 6896
194: ok 6897
194: ok 6898
194: ok 6899
194: ok 6900
194: ok 6901
194: ok 6902
194: ok 6903
194: ok 6904
194: ok 6905
194: ok 6906
194: ok 6907
194: ok 6908
194: ok 6909
194: ok 6910
194: ok 6911
194: ok 6912
194: ok 6913
194: ok 6914
194: ok 6915
194: ok 6916
194: ok 6917
194: ok 6918
194: ok 6919
194: ok 6920
194: ok 6921
194: ok 6922
194: ok 6923
194: ok 6924
194: ok 6925
194: ok 6926
194: ok 6927
194: ok 6928
194: ok 6929
194: ok 6930
194: ok 6931
194: ok 6932
194: ok 6933
194: ok 6934
194: ok 6935
194: ok 6936
194: ok 6937
194: ok 6938
194: ok 6939
194: ok 6940
194: ok 6941
194: ok 6942
194: ok 6943
194: ok 6944
194: ok 6945
194: ok 6946
194: ok 6947
194: ok 6948
194: ok 6949
194: ok 6950
194: ok 6951
194: ok 6952
194: ok 6953
194: ok 6954
194: ok 6955
194: ok 6956
194: ok 6957
194: ok 6958
194: ok 6959
194: ok 6960
194: ok 6961
194: ok 6962
194: ok 6963
194: ok 6964
194: ok 6965
194: ok 6966
194: ok 6967
194: ok 6968
194: ok 6969
194: ok 6970
194: ok 6971
194: ok 6972
194: ok 6973
194: ok 6974
194: ok 6975
194: ok 6976
194: ok 6977
194: ok 6978
194: ok 6979
194: ok 6980
194: ok 6981
194: ok 6982
194: ok 6983
194: ok 6984
194: ok 6985
194: ok 6986
194: ok 6987
194: ok 6988
194: ok 6989
194: ok 6990
194: ok 6991
194: ok 6992
194: ok 6993
194: ok 6994
194: ok 6995
194: ok 6996
194: ok 6997
194: ok 6998
194: ok 6999
194: ok 7000
194: ok 7001
194: ok 7002
194: ok 7003
194: ok 7004
194: ok 7005
194: ok 7006
194: ok 7007
194: ok 7008
194: ok 7009
194: ok 7010
194: ok 7011
194: ok 7012
194: ok 7013
194: ok 7014
194: ok 7015
194: ok 7016
194: ok 7017
194: ok 7018
194: ok 7019
194: ok 7020
194: ok 7021
194: ok 7022
194: ok 7023
194: ok 7024
194: ok 7025
194: ok 7026
194: ok 7027
194: ok 7028
194: ok 7029
194: ok 7030
194: ok 7031
194: ok 7032
194: ok 7033
194: ok 7034
194: ok 7035
194: ok 7036
194: ok 7037
194: ok 7038
194: ok 7039
194: ok 7040
194: ok 7041
194: ok 7042
194: ok 7043
194: ok 7044
194: ok 7045
194: ok 7046
194: ok 7047
194: ok 7048
194: ok 7049
194: ok 7050
194: ok 7051
194: ok 7052
194: ok 7053
194: ok 7054
194: ok 7055
194: ok 7056
194: ok 7057
194: ok 7058
194: ok 7059
194: ok 7060
194: ok 7061
194: ok 7062
194: ok 7063
194: ok 7064
194: ok 7065
194: ok 7066
194: ok 7067
194: ok 7068
194: ok 7069
194: ok 7070
194: ok 7071
194: ok 7072
194: ok 7073
194: ok 7074
194: ok 7075
194: ok 7076
194: ok 7077
194: ok 7078
194: ok 7079
194: ok 7080
194: ok 7081
194: ok 7082
194: ok 7083
194: ok 7084
194: ok 7085
194: ok 7086
194: ok 7087
194: ok 7088
194: ok 7089
194: ok 7090
194: ok 7091
194: ok 7092
194: ok 7093
194: ok 7094
194: ok 7095
194: ok 7096
194: ok 7097
194: ok 7098
194: ok 7099
194: ok 7100
194: ok 7101
194: ok 7102
194: ok 7103
194: ok 7104
194: ok 7105
194: ok 7106
194: ok 7107
194: ok 7108
194: ok 7109
194: ok 7110
194: ok 7111
194: ok 7112
194: ok 7113
194: ok 7114
194: ok 7115
194: ok 7116
194: ok 7117
194: ok 7118
194: ok 7119
194: ok 7120
194: ok 7121
194: ok 7122
194: ok 7123
194: ok 7124
194: ok 7125
194: ok 7126
194: ok 7127
194: ok 7128
194: ok 7129
194: ok 7130
194: ok 7131
194: ok 7132
194: ok 7133
194: ok 7134
194: ok 7135
194: ok 7136
194: ok 7137
194: ok 7138
194: ok 7139
194: ok 7140
194: ok 7141
194: ok 7142
194: ok 7143
194: ok 7144
194: ok 7145
194: ok 7146
194: ok 7147
194: ok 7148
194: ok 7149
194: ok 7150
194: ok 7151
194: ok 7152
194: ok 7153
194: ok 7154
194: ok 7155
194: ok 7156
194: ok 7157
194: ok 7158
194: ok 7159
194: ok 7160
194: ok 7161
194: ok 7162
194: ok 7163
194: ok 7164
194: ok 7165
194: ok 7166
194: ok 7167
194: ok 7168
194: ok 7169
194: ok 7170
194: ok 7171
194: ok 7172
194: ok 7173
194: ok 7174
194: ok 7175
194: ok 7176
194: ok 7177
194: ok 7178
194: ok 7179
194: ok 7180
194: ok 7181
194: ok 7182
194: ok 7183
194: ok 7184
194: ok 7185
194: ok 7186
194: ok 7187
194: ok 7188
194: ok 7189
194: ok 7190
194: ok 7191
194: ok 7192
194: ok 7193
194: ok 7194
194: ok 7195
194: ok 7196
194: ok 7197
194: ok 7198
194: ok 7199
194: ok 7200
194: ok 7201
194: ok 7202
194: ok 7203
194: ok 7204
194: ok 7205
194: ok 7206
194: ok 7207
194: ok 7208
194: ok 7209
194: ok 7210
194: ok 7211
194: ok 7212
194: ok 7213
194: ok 7214
194: ok 7215
194: ok 7216
194: ok 7217
194: ok 7218
194: ok 7219
194: ok 7220
194: ok 7221
194: ok 7222
194: ok 7223
194: ok 7224
194: ok 7225
194: ok 7226
194: ok 7227
194: ok 7228
194: ok 7229
194: ok 7230
194: ok 7231
194: ok 7232
194: ok 7233
194: ok 7234
194: ok 7235
194: ok 7236
194: ok 7237
194: ok 7238
194: ok 7239
194: ok 7240
194: ok 7241
194: ok 7242
194: ok 7243
194: ok 7244
194: ok 7245
194: ok 7246
194: ok 7247
194: ok 7248
194: ok 7249
194: ok 7250
194: ok 7251
194: ok 7252
194: ok 7253
194: ok 7254
194: ok 7255
194: ok 7256
194: ok 7257
194: ok 7258
194: ok 7259
194: ok 7260
194: ok 7261
194: ok 7262
194: ok 7263
194: ok 7264
194: ok 7265
194: ok 7266
194: ok 7267
194: ok 7268
194: ok 7269
194: ok 7270
194: ok 7271
194: ok 7272
194: ok 7273
194: ok 7274
194: ok 7275
194: ok 7276
194: ok 7277
194: ok 7278
194: ok 7279
194: ok 7280
194: ok 7281
194: ok 7282
194: ok 7283
194: ok 7284
194: ok 7285
194: ok 7286
194: ok 7287
194: ok 7288
194: ok 7289
194: ok 7290
194: ok 7291
194: ok 7292
194: ok 7293
194: ok 7294
194: ok 7295
194: ok 7296
194: ok 7297
194: ok 7298
194: ok 7299
194: ok 7300
194: ok 7301
194: ok 7302
194: ok 7303
194: ok 7304
194: ok 7305
194: ok 7306
194: ok 7307
194: ok 7308
194: ok 7309
194: ok 7310
194: ok 7311
194: ok 7312
194: ok 7313
194: ok 7314
194: ok 7315
194: ok 7316
194: ok 7317
194: ok 7318
194: ok 7319
194: ok 7320
194: ok 7321
194: ok 7322
194: ok 7323
194: ok 7324
194: ok 7325
194: ok 7326
194: ok 7327
194: ok 7328
194: ok 7329
194: ok 7330
194: ok 7331
194: ok 7332
194: ok 7333
194: ok 7334
194: ok 7335
194: ok 7336
194: ok 7337
194: ok 7338
194: ok 7339
194: ok 7340
194: ok 7341
194: ok 7342
194: ok 7343
194: ok 7344
194: ok 7345
194: ok 7346
194: ok 7347
194: ok 7348
194: ok 7349
194: ok 7350
194: ok 7351
194: ok 7352
194: ok 7353
194: ok 7354
194: ok 7355
194: ok 7356
194: ok 7357
194: ok 7358
194: ok 7359
194: ok 7360
194: ok 7361
194: ok 7362
194: ok 7363
194: ok 7364
194: ok 7365
194: ok 7366
194: ok 7367
194: ok 7368
194: ok 7369
194: ok 7370
194: ok 7371
194: ok 7372
194: ok 7373
194: ok 7374
194: ok 7375
194: ok 7376
194: ok 7377
194: ok 7378
194: ok 7379
194: ok 7380
194: ok 7381
194: ok 7382
194: ok 7383
194: ok 7384
194: ok 7385
194: ok 7386
194: ok 7387
194: ok 7388
194: ok 7389
194: ok 7390
194: ok 7391
194: ok 7392
194: ok 7393
194: ok 7394
194: ok 7395
194: ok 7396
194: ok 7397
194: ok 7398
194: ok 7399
194: ok 7400
194: ok 7401
194: ok 7402
194: ok 7403
194: ok 7404
194: ok 7405
194: ok 7406
194: ok 7407
194: ok 7408
194: ok 7409
194: ok 7410
194: ok 7411
194: ok 7412
194: ok 7413
194: ok 7414
194: ok 7415
194: ok 7416
194: ok 7417
194: ok 7418
194: ok 7419
194: ok 7420
194: ok 7421
194: ok 7422
194: ok 7423
194: ok 7424
194: ok 7425
194: ok 7426
194: ok 7427
194: ok 7428
194: ok 7429
194: ok 7430
194: ok 7431
194: ok 7432
194: ok 7433
194: ok 7434
194: ok 7435
194: ok 7436
194: ok 7437
194: ok 7438
194: ok 7439
194: ok 7440
194: ok 7441
194: ok 7442
194: ok 7443
194: ok 7444
194: ok 7445
194: ok 7446
194: ok 7447
194: ok 7448
194: ok 7449
194: ok 7450
194: ok 7451
194: ok 7452
194: ok 7453
194: ok 7454
194: ok 7455
194: ok 7456
194: ok 7457
194: ok 7458
194: ok 7459
194: ok 7460
194: ok 7461
194: ok 7462
194: ok 7463
194: ok 7464
194: ok 7465
194: ok 7466
194: ok 7467
194: ok 7468
194: ok 7469
194: ok 7470
194: ok 7471
194: ok 7472
194: ok 7473
194: ok 7474
194: ok 7475
194: ok 7476
194: ok 7477
194: ok 7478
194: ok 7479
194: ok 7480
194: ok 7481
194: ok 7482
194: ok 7483
194: ok 7484
194: ok 7485
194: ok 7486
194: ok 7487
194: ok 7488
194: ok 7489
194: ok 7490
194: ok 7491
194: ok 7492
194: ok 7493
194: ok 7494
194: ok 7495
194: ok 7496
194: ok 7497
194: ok 7498
194: ok 7499
194: ok 7500
194: ok 7501
194: ok 7502
194: ok 7503
194: ok 7504
194: ok 7505
194: ok 7506
194: ok 7507
194: ok 7508
194: ok 7509
194: ok 7510
194: ok 7511
194: ok 7512
194: ok 7513
194: ok 7514
194: ok 7515
194: ok 7516
194: ok 7517
194: ok 7518
194: ok 7519
194: ok 7520
194: ok 7521
194: ok 7522
194: ok 7523
194: ok 7524
194: ok 7525
194: ok 7526
194: ok 7527
194: ok 7528
194: ok 7529
194: ok 7530
194: ok 7531
194: ok 7532
194: ok 7533
194: ok 7534
194: ok 7535
194: ok 7536
194: ok 7537
194: ok 7538
194: ok 7539
194: ok 7540
194: ok 7541
194: ok 7542
194: ok 7543
194: ok 7544
194: ok 7545
194: ok 7546
194: ok 7547
194: ok 7548
194: ok 7549
194: ok 7550
194: ok 7551
194: ok 7552
194: ok 7553
194: ok 7554
194: ok 7555
194: ok 7556
194: ok 7557
194: ok 7558
194: ok 7559
194: ok 7560
194: ok 7561
194: ok 7562
194: ok 7563
194: ok 7564
194: ok 7565
194: ok 7566
194: ok 7567
194: ok 7568
194: ok 7569
194: ok 7570
194: ok 7571
194: ok 7572
194: ok 7573
194: ok 7574
194: ok 7575
194: ok 7576
194: ok 7577
194: ok 7578
194: ok 7579
194: ok 7580
194: ok 7581
194: ok 7582
194: ok 7583
194: ok 7584
194: ok 7585
194: ok 7586
194: ok 7587
194: ok 7588
194: ok 7589
194: ok 7590
194: ok 7591
194: ok 7592
194: ok 7593
194: ok 7594
194: ok 7595
194: ok 7596
194: ok 7597
194: ok 7598
194: ok 7599
194: ok 7600
194: ok 7601
194: ok 7602
194: ok 7603
194: ok 7604
194: ok 7605
194: ok 7606
194: ok 7607
194: ok 7608
194: ok 7609
194: ok 7610
194: ok 7611
194: ok 7612
194: ok 7613
194: ok 7614
194: ok 7615
194: ok 7616
194: ok 7617
194: ok 7618
194: ok 7619
194: ok 7620
194: ok 7621
194: ok 7622
194: ok 7623
194: ok 7624
194: ok 7625
194: ok 7626
194: ok 7627
194: ok 7628
194: ok 7629
194: ok 7630
194: ok 7631
194: ok 7632
194: ok 7633
194: ok 7634
194: ok 7635
194: ok 7636
194: ok 7637
194: ok 7638
194: ok 7639
194: ok 7640
194: ok 7641
194: ok 7642
194: ok 7643
194: ok 7644
194: ok 7645
194: ok 7646
194: ok 7647
194: ok 7648
194: ok 7649
194: ok 7650
194: ok 7651
194: ok 7652
194: ok 7653
194: ok 7654
194: ok 7655
194: ok 7656
194: ok 7657
194: ok 7658
194: ok 7659
194: ok 7660
194: ok 7661
194: ok 7662
194: ok 7663
194: ok 7664
194: ok 7665
194: ok 7666
194: ok 7667
194: ok 7668
194: ok 7669
194: ok 7670
194: ok 7671
194: ok 7672
194: ok 7673
194: ok 7674
194: ok 7675
194: ok 7676
194: ok 7677
194: ok 7678
194: ok 7679
194: ok 7680
194: ok 7681
194: ok 7682
194: ok 7683
194: ok 7684
194: ok 7685
194: ok 7686
194: ok 7687
194: ok 7688
194: ok 7689
194: ok 7690
194: ok 7691
194: ok 7692
194: ok 7693
194: ok 7694
194: ok 7695
194: ok 7696
194: ok 7697
194: ok 7698
194: ok 7699
194: ok 7700
194: ok 7701
194: ok 7702
194: ok 7703
194: ok 7704
194: ok 7705
194: ok 7706
194: ok 7707
194: ok 7708
194: ok 7709
194: ok 7710
194: ok 7711
194: ok 7712
194: ok 7713
194: ok 7714
194: ok 7715
194: ok 7716
194: ok 7717
194: ok 7718
194: ok 7719
194: ok 7720
194: ok 7721
194: ok 7722
194: ok 7723
194: ok 7724
194: ok 7725
194: ok 7726
194: ok 7727
194: ok 7728
194: ok 7729
194: ok 7730
194: ok 7731
194: ok 7732
194: ok 7733
194: ok 7734
194: ok 7735
194: ok 7736
194: ok 7737
194: ok 7738
194: ok 7739
194: ok 7740
194: ok 7741
194: ok 7742
194: ok 7743
194: ok 7744
194: ok 7745
194: ok 7746
194: ok 7747
194: ok 7748
194: ok 7749
194: ok 7750
194: ok 7751
194: ok 7752
194: ok 7753
194: ok 7754
194: ok 7755
194: ok 7756
194: ok 7757
194: ok 7758
194: ok 7759
194: ok 7760
194: ok 7761
194: ok 7762
194: ok 7763
194: ok 7764
194: ok 7765
194: ok 7766
194: ok 7767
194: ok 7768
194: ok 7769
194: ok 7770
194: ok 7771
194: ok 7772
194: ok 7773
194: ok 7774
194: ok 7775
194: ok 7776
194: ok 7777
194: ok 7778
194: ok 7779
194: ok 7780
194: ok 7781
194: ok 7782
194: ok 7783
194: ok 7784
194: ok 7785
194: ok 7786
194: ok 7787
194: ok 7788
194: ok 7789
194: ok 7790
194: ok 7791
194: ok 7792
194: ok 7793
194: ok 7794
194: ok 7795
194: ok 7796
194: ok 7797
194: ok 7798
194: ok 7799
194: ok 7800
194: ok 7801
194: ok 7802
194: ok 7803
194: ok 7804
194: ok 7805
194: ok 7806
194: ok 7807
194: ok 7808
194: ok 7809
194: ok 7810
194: ok 7811
194: ok 7812
194: ok 7813
194: ok 7814
194: ok 7815
194: ok 7816
194: ok 7817
194: ok 7818
194: ok 7819
194: ok 7820
194: ok 7821
194: ok 7822
194: ok 7823
194: ok 7824
194: ok 7825
194: ok 7826
194: ok 7827
194: ok 7828
194: ok 7829
194: ok 7830
194: ok 7831
194: ok 7832
194: ok 7833
194: ok 7834
194: ok 7835
194: ok 7836
194: ok 7837
194: ok 7838
194: ok 7839
194: ok 7840
194: ok 7841
194: ok 7842
194: ok 7843
194: ok 7844
194: ok 7845
194: ok 7846
194: ok 7847
194: ok 7848
194: ok 7849
194: ok 7850
194: ok 7851
194: ok 7852
194: ok 7853
194: ok 7854
194: ok 7855
194: ok 7856
194: ok 7857
194: ok 7858
194: ok 7859
194: ok 7860
194: ok 7861
194: ok 7862
194: ok 7863
194: ok 7864
194: ok 7865
194: ok 7866
194: ok 7867
194: ok 7868
194: ok 7869
194: ok 7870
194: ok 7871
194: ok 7872
194: ok 7873
194: ok 7874
194: ok 7875
194: ok 7876
194: ok 7877
194: ok 7878
194: ok 7879
194: ok 7880
194: ok 7881
194: ok 7882
194: ok 7883
194: ok 7884
194: ok 7885
194: ok 7886
194: ok 7887
194: ok 7888
194: ok 7889
194: ok 7890
194: ok 7891
194: ok 7892
194: ok 7893
194: ok 7894
194: ok 7895
194: ok 7896
194: ok 7897
194: ok 7898
194: ok 7899
194: ok 7900
194: ok 7901
194: ok 7902
194: ok 7903
194: ok 7904
194: ok 7905
194: ok 7906
194: ok 7907
194: ok 7908
194: ok 7909
194: ok 7910
194: ok 7911
194: ok 7912
194: ok 7913
194: ok 7914
194: ok 7915
194: ok 7916
194: ok 7917
194: ok 7918
194: ok 7919
194: ok 7920
194: ok 7921
194: ok 7922
194: ok 7923
194: ok 7924
194: ok 7925
194: ok 7926
194: ok 7927
194: ok 7928
194: ok 7929
194: ok 7930
194: ok 7931
194: ok 7932
194: ok 7933
194: ok 7934
194: ok 7935
194: ok 7936
194: ok 7937
194: ok 7938
194: ok 7939
194: ok 7940
194: ok 7941
194: ok 7942
194: ok 7943
194: ok 7944
194: ok 7945
194: ok 7946
194: ok 7947
194: ok 7948
194: ok 7949
194: ok 7950
194: ok 7951
194: ok 7952
194: ok 7953
194: ok 7954
194: ok 7955
194: ok 7956
194: ok 7957
194: ok 7958
194: ok 7959
194: ok 7960
194: ok 7961
194: ok 7962
194: ok 7963
194: ok 7964
194: ok 7965
194: ok 7966
194: ok 7967
194: ok 7968
194: ok 7969
194: ok 7970
194: ok 7971
194: ok 7972
194: ok 7973
194: ok 7974
194: ok 7975
194: ok 7976
194: ok 7977
194: ok 7978
194: ok 7979
194: ok 7980
194: ok 7981
194: ok 7982
194: ok 7983
194: ok 7984
194: ok 7985
194: ok 7986
194: ok 7987
194: ok 7988
194: ok 7989
194: ok 7990
194: ok 7991
194: ok 7992
194: ok 7993
194: ok 7994
194: ok 7995
194: ok 7996
194: ok 7997
194: ok 7998
194: ok 7999
194: ok 8000
194: ok 8001
194: ok 8002
194: ok 8003
194: ok 8004
194: ok 8005
194: ok 8006
194: ok 8007
194: ok 8008
194: ok 8009
194: ok 8010
194: ok 8011
194: ok 8012
194: ok 8013
194: ok 8014
194: ok 8015
194: ok 8016
194: ok 8017
194: ok 8018
194: ok 8019
194: ok 8020
194: ok 8021
194: ok 8022
194: ok 8023
194: ok 8024
194: ok 8025
194: ok 8026
194: ok 8027
194: ok 8028
194: ok 8029
194: ok 8030
194: ok 8031
194: ok 8032
194: ok 8033
194: ok 8034
194: ok 8035
194: ok 8036
194: ok 8037
194: ok 8038
194: ok 8039
194: ok 8040
194: ok 8041
194: ok 8042
194: ok 8043
194: ok 8044
194: ok 8045
194: ok 8046
194: ok 8047
194: ok 8048
194: ok 8049
194: ok 8050
194: ok 8051
194: ok 8052
194: ok 8053
194: ok 8054
194: ok 8055
194: ok 8056
194: ok 8057
194: ok 8058
194: ok 8059
194: ok 8060
194: ok 8061
194: ok 8062
194: ok 8063
194: ok 8064
194: ok 8065
194: ok 8066
194: ok 8067
194: ok 8068
194: ok 8069
194: ok 8070
194: ok 8071
194: ok 8072
194: ok 8073
194: ok 8074
194: ok 8075
194: ok 8076
194: ok 8077
194: ok 8078
194: ok 8079
194: ok 8080
194: ok 8081
194: ok 8082
194: ok 8083
194: ok 8084
194: ok 8085
194: ok 8086
194: ok 8087
194: ok 8088
194: ok 8089
194: ok 8090
194: ok 8091
194: ok 8092
194: ok 8093
194: ok 8094
194: ok 8095
194: ok 8096
194: ok 8097
194: ok 8098
194: ok 8099
194: ok 8100
194: ok 8101
194: ok 8102
194: ok 8103
194: ok 8104
194: ok 8105
194: ok 8106
194: ok 8107
194: ok 8108
194: ok 8109
194: ok 8110
194: ok 8111
194: ok 8112
194: ok 8113
194: ok 8114
194: ok 8115
194: ok 8116
194: ok 8117
194: ok 8118
194: ok 8119
194: ok 8120
194: ok 8121
194: ok 8122
194: ok 8123
194: ok 8124
194: ok 8125
194: ok 8126
194: ok 8127
194: ok 8128
194: ok 8129
194: ok 8130
194: ok 8131
194: ok 8132
194: ok 8133
194: ok 8134
194: ok 8135
194: ok 8136
194: ok 8137
194: ok 8138
194: ok 8139
194: ok 8140
194: ok 8141
194: ok 8142
194: ok 8143
194: ok 8144
194: ok 8145
194: ok 8146
194: ok 8147
194: ok 8148
194: ok 8149
194: ok 8150
194: ok 8151
194: ok 8152
194: ok 8153
194: ok 8154
194: ok 8155
194: ok 8156
194: ok 8157
194: ok 8158
194: ok 8159
194: ok 8160
194: ok 8161
194: ok 8162
194: ok 8163
194: ok 8164
194: ok 8165
194: ok 8166
194: ok 8167
194: ok 8168
194: ok 8169
194: ok 8170
194: ok 8171
194: ok 8172
194: ok 8173
194: ok 8174
194: ok 8175
194: ok 8176
194: ok 8177
194: ok 8178
194: ok 8179
194: ok 8180
194: ok 8181
194: ok 8182
194: ok 8183
194: ok 8184
194: ok 8185
194: ok 8186
194: ok 8187
194: ok 8188
194: ok 8189
194: ok 8190
194: ok 8191
194: ok 8192
194: ok 8193
194: ok 8194
194: ok 8195
194: ok 8196
194: ok 8197
194: ok 8198
194: ok 8199
194: ok 8200
194: ok 8201
194: ok 8202
194: ok 8203
194: ok 8204
194: ok 8205
194: ok 8206
194: ok 8207
194: ok 8208
194: ok 8209
194: ok 8210
194: ok 8211
194: ok 8212
194: ok 8213
194: ok 8214
194: ok 8215
194: ok 8216
194: ok 8217
194: ok 8218
194: ok 8219
194: ok 8220
194: ok 8221
194: ok 8222
194: ok 8223
194: ok 8224
194: ok 8225
194: ok 8226
194: ok 8227
194: ok 8228
194: ok 8229
194: ok 8230
194: ok 8231
194: ok 8232
194: ok 8233
194: ok 8234
194: ok 8235
194: ok 8236
194: ok 8237
194: ok 8238
194: ok 8239
194: ok 8240
194: ok 8241
194: ok 8242
194: ok 8243
194: ok 8244
194: ok 8245
194: ok 8246
194: ok 8247
194: ok 8248
194: ok 8249
194: ok 8250
194: ok 8251
194: ok 8252
194: ok 8253
194: ok 8254
194: ok 8255
194: ok 8256
194: ok 8257
194: ok 8258
194: ok 8259
194: ok 8260
194: ok 8261
194: ok 8262
194: ok 8263
194: ok 8264
194: ok 8265
194: ok 8266
194: ok 8267
194: ok 8268
194: ok 8269
194: ok 8270
194: ok 8271
194: ok 8272
194: ok 8273
194: ok 8274
194: ok 8275
194: ok 8276
194: ok 8277
194: ok 8278
194: ok 8279
194: ok 8280
194: ok 8281
194: ok 8282
194: ok 8283
194: ok 8284
194: ok 8285
194: ok 8286
194: ok 8287
194: ok 8288
194: ok 8289
194: ok 8290
194: ok 8291
194: ok 8292
194: ok 8293
194: ok 8294
194: ok 8295
194: ok 8296
194: ok 8297
194: ok 8298
194: ok 8299
194: ok 8300
194: ok 8301
194: ok 8302
194: ok 8303
194: ok 8304
194: ok 8305
194: ok 8306
194: ok 8307
194: ok 8308
194: ok 8309
194: ok 8310
194: ok 8311
194: ok 8312
194: ok 8313
194: ok 8314
194: ok 8315
194: ok 8316
194: ok 8317
194: ok 8318
194: ok 8319
194: ok 8320
194: ok 8321
194: ok 8322
194: ok 8323
194: ok 8324
194: ok 8325
194: ok 8326
194: ok 8327
194: ok 8328
194: ok 8329
194: ok 8330
194: ok 8331
194: ok 8332
194: ok 8333
194: ok 8334
194: ok 8335
194: ok 8336
194: ok 8337
194: ok 8338
194: ok 8339
194: ok 8340
194: ok 8341
194: ok 8342
194: ok 8343
194: ok 8344
194: ok 8345
194: ok 8346
194: ok 8347
194: ok 8348
194: ok 8349
194: ok 8350
194: ok 8351
194: ok 8352
194: ok 8353
194: ok 8354
194: ok 8355
194: ok 8356
194: ok 8357
194: ok 8358
194: ok 8359
194: ok 8360
194: ok 8361
194: ok 8362
194: ok 8363
194: ok 8364
194: ok 8365
194: ok 8366
194: ok 8367
194: ok 8368
194: ok 8369
194: ok 8370
194: ok 8371
194: ok 8372
194: ok 8373
194: ok 8374
194: ok 8375
194: ok 8376
194: ok 8377
194: ok 8378
194: ok 8379
194: ok 8380
194: ok 8381
194: ok 8382
194: ok 8383
194: ok 8384
194: ok 8385
194: ok 8386
194: ok 8387
194: ok 8388
194: ok 8389
194: ok 8390
194: ok 8391
194: ok 8392
194: ok 8393
194: ok 8394
194: ok 8395
194: ok 8396
194: ok 8397
194: ok 8398
194: ok 8399
194: ok 8400
194: ok 8401
194: ok 8402
194: ok 8403
194: ok 8404
194: ok 8405
194: ok 8406
194: ok 8407
194: ok 8408
194: ok 8409
194: ok 8410
194: ok 8411
194: ok 8412
194: ok 8413
194: ok 8414
194: ok 8415
194: ok 8416
194: ok 8417
194: ok 8418
194: ok 8419
194: ok 8420
194: ok 8421
194: ok 8422
194: ok 8423
194: ok 8424
194: ok 8425
194: ok 8426
194: ok 8427
194: ok 8428
194: ok 8429
194: ok 8430
194: ok 8431
194: ok 8432
194: ok 8433
194: ok 8434
194: ok 8435
194: ok 8436
194: ok 8437
194: ok 8438
194: ok 8439
194: ok 8440
194: ok 8441
194: ok 8442
194: ok 8443
194: ok 8444
194: ok 8445
194: ok 8446
194: ok 8447
194: ok 8448
194: ok 8449
194: ok 8450
194: ok 8451
194: ok 8452
194: ok 8453
194: ok 8454
194: ok 8455
194: ok 8456
194: ok 8457
194: ok 8458
194: ok 8459
194: ok 8460
194: ok 8461
194: ok 8462
194: ok 8463
194: ok 8464
194: ok 8465
194: ok 8466
194: ok 8467
194: ok 8468
194: ok 8469
194: ok 8470
194: ok 8471
194: ok 8472
194: ok 8473
194: ok 8474
194: ok 8475
194: ok 8476
194: ok 8477
194: ok 8478
194: ok 8479
194: ok 8480
194: ok 8481
194: ok 8482
194: ok 8483
194: ok 8484
194: ok 8485
194: ok 8486
194: ok 8487
194: ok 8488
194: ok 8489
194: ok 8490
194: ok 8491
194: ok 8492
194: ok 8493
194: ok 8494
194: ok 8495
194: ok 8496
194: ok 8497
194: ok 8498
194: ok 8499
194: ok 8500
194: ok 8501
194: ok 8502
194: ok 8503
194: ok 8504
194: ok 8505
194: ok 8506
194: ok 8507
194: ok 8508
194: ok 8509
194: ok 8510
194: ok 8511
194: ok 8512
194: ok 8513
194: ok 8514
194: ok 8515
194: ok 8516
194: ok 8517
194: ok 8518
194: ok 8519
194: ok 8520
194: ok 8521
194: ok 8522
194: ok 8523
194: ok 8524
194: ok 8525
194: ok 8526
194: ok 8527
194: ok 8528
194: ok 8529
194: ok 8530
194: ok 8531
194: ok 8532
194: ok 8533
194: ok 8534
194: ok 8535
194: ok 8536
194: ok 8537
194: ok 8538
194: ok 8539
194: ok 8540
194: ok 8541
194: ok 8542
194: ok 8543
194: ok 8544
194: ok 8545
194: ok 8546
194: ok 8547
194: ok 8548
194: ok 8549
194: ok 8550
194: ok 8551
194: ok 8552
194: ok 8553
194: ok 8554
194: ok 8555
194: ok 8556
194: ok 8557
194: ok 8558
194: ok 8559
194: ok 8560
194: ok 8561
194: ok 8562
194: ok 8563
194: ok 8564
194: ok 8565
194: ok 8566
194: ok 8567
194: ok 8568
194: ok 8569
194: ok 8570
194: ok 8571
194: ok 8572
194: ok 8573
194: ok 8574
194: ok 8575
194: ok 8576
194: ok 8577
194: ok 8578
194: ok 8579
194: ok 8580
194: ok 8581
194: ok 8582
194: ok 8583
194: ok 8584
194: ok 8585
194: ok 8586
194: ok 8587
194: ok 8588
194: ok 8589
194: ok 8590
194: ok 8591
194: ok 8592
194: ok 8593
194: ok 8594
194: ok 8595
194: ok 8596
194: ok 8597
194: ok 8598
194: ok 8599
194: ok 8600
194: ok 8601
194: ok 8602
194: ok 8603
194: ok 8604
194: ok 8605
194: ok 8606
194: ok 8607
194: ok 8608
194: ok 8609
194: ok 8610
194: ok 8611
194: ok 8612
194: ok 8613
194: ok 8614
194: ok 8615
194: ok 8616
194: ok 8617
194: ok 8618
194: ok 8619
194: ok 8620
194: ok 8621
194: ok 8622
194: ok 8623
194: ok 8624
194: ok 8625
194: ok 8626
194: ok 8627
194: ok 8628
194: ok 8629
194: ok 8630
194: ok 8631
194: ok 8632
194: ok 8633
194: ok 8634
194: ok 8635
194: ok 8636
194: ok 8637
194: ok 8638
194: ok 8639
194: ok 8640
194: ok 8641
194: ok 8642
194: ok 8643
194: ok 8644
194: ok 8645
194: ok 8646
194: ok 8647
194: ok 8648
194: ok 8649
194: ok 8650
194: ok 8651
194: ok 8652
194: ok 8653
194: ok 8654
194: ok 8655
194: ok 8656
194: ok 8657
194: ok 8658
194: ok 8659
194: ok 8660
194: ok 8661
194: ok 8662
194: ok 8663
194: ok 8664
194: ok 8665
194: ok 8666
194: ok 8667
194: ok 8668
194: ok 8669
194: ok 8670
194: ok 8671
194: ok 8672
194: ok 8673
194: ok 8674
194: ok 8675
194: ok 8676
194: ok 8677
194: ok 8678
194: ok 8679
194: ok 8680
194: ok 8681
194: ok 8682
194: ok 8683
194: ok 8684
194: ok 8685
194: ok 8686
194: ok 8687
194: ok 8688
194: ok 8689
194: ok 8690
194: ok 8691
194: ok 8692
194: ok 8693
194: ok 8694
194: ok 8695
194: ok 8696
194: ok 8697
194: ok 8698
194: ok 8699
194: ok 8700
194: ok 8701
194: ok 8702
194: ok 8703
194: ok 8704
194: ok 8705
194: ok 8706
194: ok 8707
194: ok 8708
194: ok 8709
194: ok 8710
194: ok 8711
194: ok 8712
194: ok 8713
194: ok 8714
194: ok 8715
194: ok 8716
194: ok 8717
194: ok 8718
194: ok 8719
194: ok 8720
194: ok 8721
194: ok 8722
194: ok 8723
194: ok 8724
194: ok 8725
194: ok 8726
194: ok 8727
194: ok 8728
194: ok 8729
194: ok 8730
194: ok 8731
194: ok 8732
194: ok 8733
194: ok 8734
194: ok 8735
194: ok 8736
194: ok 8737
194: ok 8738
194: ok 8739
194: ok 8740
194: ok 8741
194: ok 8742
194: ok 8743
194: ok 8744
194: ok 8745
194: ok 8746
194: ok 8747
194: ok 8748
194: ok 8749
194: ok 8750
194: ok 8751
194: ok 8752
194: ok 8753
194: ok 8754
194: ok 8755
194: ok 8756
194: ok 8757
194: ok 8758
194: ok 8759
194: ok 8760
194: ok 8761
194: ok 8762
194: ok 8763
194: ok 8764
194: ok 8765
194: ok 8766
194: ok 8767
194: ok 8768
194: ok 8769
194: ok 8770
194: ok 8771
194: ok 8772
194: ok 8773
194: ok 8774
194: ok 8775
194: ok 8776
194: ok 8777
194: ok 8778
194: ok 8779
194: ok 8780
194: ok 8781
194: ok 8782
194: ok 8783
194: ok 8784
194: ok 8785
194: ok 8786
194: ok 8787
194: ok 8788
194: ok 8789
194: ok 8790
194: ok 8791
194: ok 8792
194: ok 8793
194: ok 8794
194: ok 8795
194: ok 8796
194: ok 8797
194: ok 8798
194: ok 8799
194: ok 8800
194: ok 8801
194: ok 8802
194: ok 8803
194: ok 8804
194: ok 8805
194: ok 8806
194: ok 8807
194: ok 8808
194: ok 8809
194: ok 8810
194: ok 8811
194: ok 8812
194: ok 8813
194: ok 8814
194: ok 8815
194: ok 8816
194: ok 8817
194: ok 8818
194: ok 8819
194: ok 8820
194: ok 8821
194: ok 8822
194: ok 8823
194: ok 8824
194: ok 8825
194: ok 8826
194: ok 8827
194: ok 8828
194: ok 8829
194: ok 8830
194: ok 8831
194: ok 8832
194: ok 8833
194: ok 8834
194: ok 8835
194: ok 8836
194: ok 8837
194: ok 8838
194: ok 8839
194: ok 8840
194: ok 8841
194: ok 8842
194: ok 8843
194: ok 8844
194: ok 8845
194: ok 8846
194: ok 8847
194: ok 8848
194: ok 8849
194: ok 8850
194: ok 8851
194: ok 8852
194: ok 8853
194: ok 8854
194: ok 8855
194: ok 8856
194: ok 8857
194: ok 8858
194: ok 8859
194: ok 8860
194: ok 8861
194: ok 8862
194: ok 8863
194: ok 8864
194: ok 8865
194: ok 8866
194: ok 8867
194: ok 8868
194: ok 8869
194: ok 8870
194: ok 8871
194: ok 8872
194: ok 8873
194: ok 8874
194: ok 8875
194: ok 8876
194: ok 8877
194: ok 8878
194: ok 8879
194: ok 8880
194: ok 8881
194: ok 8882
194: ok 8883
194: ok 8884
194: ok 8885
194: ok 8886
194: ok 8887
194: ok 8888
194: ok 8889
194: ok 8890
194: ok 8891
194: ok 8892
194: ok 8893
194: ok 8894
194: ok 8895
194: ok 8896
194: ok 8897
194: ok 8898
194: ok 8899
194: ok 8900
194: ok 8901
194: ok 8902
194: ok 8903
194: ok 8904
194: ok 8905
194: ok 8906
194: ok 8907
194: ok 8908
194: ok 8909
194: ok 8910
194: ok 8911
194: ok 8912
194: ok 8913
194: ok 8914
194: ok 8915
194: ok 8916
194: ok 8917
194: ok 8918
194: ok 8919
194: ok 8920
194: ok 8921
194: ok 8922
194: ok 8923
194: ok 8924
194: ok 8925
194: ok 8926
194: ok 8927
194: ok 8928
194: ok 8929
194: ok 8930
194: ok 8931
194: ok 8932
194: ok 8933
194: ok 8934
194: ok 8935
194: ok 8936
194: ok 8937
194: ok 8938
194: ok 8939
194: ok 8940
194: ok 8941
194: ok 8942
194: ok 8943
194: ok 8944
194: ok 8945
194: ok 8946
194: ok 8947
194: ok 8948
194: ok 8949
194: ok 8950
194: ok 8951
194: ok 8952
194: ok 8953
194: ok 8954
194: ok 8955
194: ok 8956
194: ok 8957
194: ok 8958
194: ok 8959
194: ok 8960
194: ok 8961
194: ok 8962
194: ok 8963
194: ok 8964
194: ok 8965
194: ok 8966
194: ok 8967
194: ok 8968
194: ok 8969
194: ok 8970
194: ok 8971
194: ok 8972
194: ok 8973
194: ok 8974
194: ok 8975
194: ok 8976
194: ok 8977
194: ok 8978
194: ok 8979
194: ok 8980
194: ok 8981
194: ok 8982
194: ok 8983
194: ok 8984
194: ok 8985
194: ok 8986
194: ok 8987
194: ok 8988
194: ok 8989
194: ok 8990
194: ok 8991
194: ok 8992
194: ok 8993
194: ok 8994
194: ok 8995
194: ok 8996
194: ok 8997
194: ok 8998
194: ok 8999
194: ok 9000
194: ok 9001
194: ok 9002
194: ok 9003
194: ok 9004
194: ok 9005
194: ok 9006
194: ok 9007
194: ok 9008
194: ok 9009
194: ok 9010
194: ok 9011
194: ok 9012
194: ok 9013
194: ok 9014
194: ok 9015
194: ok 9016
194: ok 9017
194: ok 9018
194: ok 9019
194: ok 9020
194: ok 9021
194: ok 9022
194: ok 9023
194: ok 9024
194: ok 9025
194: ok 9026
194: ok 9027
194: ok 9028
194: ok 9029
194: ok 9030
194: ok 9031
194: ok 9032
194: ok 9033
194: ok 9034
194: ok 9035
194: ok 9036
194: ok 9037
194: ok 9038
194: ok 9039
194: ok 9040
194: ok 9041
194: ok 9042
194: ok 9043
194: ok 9044
194: ok 9045
194: ok 9046
194: ok 9047
194: ok 9048
194: ok 9049
194: ok 9050
194: ok 9051
194: ok 9052
194: ok 9053
194: ok 9054
194: ok 9055
194: ok 9056
194: ok 9057
194: ok 9058
194: ok 9059
194: ok 9060
194: ok 9061
194: ok 9062
194: ok 9063
194: ok 9064
194: ok 9065
194: ok 9066
194: ok 9067
194: ok 9068
194: ok 9069
194: ok 9070
194: ok 9071
194: ok 9072
194: ok 9073
194: ok 9074
194: ok 9075
194: ok 9076
194: ok 9077
194: ok 9078
194: ok 9079
194: ok 9080
194: ok 9081
194: ok 9082
194: ok 9083
194: ok 9084
194: ok 9085
194: ok 9086
194: ok 9087
194: ok 9088
194: ok 9089
194: ok 9090
194: ok 9091
194: ok 9092
194: ok 9093
194: ok 9094
194: ok 9095
194: ok 9096
194: ok 9097
194: ok 9098
194: ok 9099
194: ok 9100
194: ok 9101
194: ok 9102
194: ok 9103
194: ok 9104
194: ok 9105
194: ok 9106
194: ok 9107
194: ok 9108
194: ok 9109
194: ok 9110
194: ok 9111
194: ok 9112
194: ok 9113
194: ok 9114
194: ok 9115
194: ok 9116
194: ok 9117
194: ok 9118
194: ok 9119
194: ok 9120
194: ok 9121
194: ok 9122
194: ok 9123
194: ok 9124
194: ok 9125
194: ok 9126
194: ok 9127
194: ok 9128
194: ok 9129
194: ok 9130
194: ok 9131
194: ok 9132
194: ok 9133
194: ok 9134
194: ok 9135
194: ok 9136
194: ok 9137
194: ok 9138
194: ok 9139
194: ok 9140
194: ok 9141
194: ok 9142
194: ok 9143
194: ok 9144
194: ok 9145
194: ok 9146
194: ok 9147
194: ok 9148
194: ok 9149
194: ok 9150
194: ok 9151
194: ok 9152
194: ok 9153
194: ok 9154
194: ok 9155
194: ok 9156
194: ok 9157
194: ok 9158
194: ok 9159
194: ok 9160
194: ok 9161
194: ok 9162
194: ok 9163
194: ok 9164
194: ok 9165
194: ok 9166
194: ok 9167
194: ok 9168
194: ok 9169
194: ok 9170
194: ok 9171
194: ok 9172
194: ok 9173
194: ok 9174
194: ok 9175
194: ok 9176
194: ok 9177
194: ok 9178
194: ok 9179
194: ok 9180
194: ok 9181
194: ok 9182
194: ok 9183
194: ok 9184
194: ok 9185
194: ok 9186
194: ok 9187
194: ok 9188
194: ok 9189
194: ok 9190
194: ok 9191
194: ok 9192
194: ok 9193
194: ok 9194
194: ok 9195
194: ok 9196
194: ok 9197
194: ok 9198
194: ok 9199
194: ok 9200
194: ok 9201
194: ok 9202
194: ok 9203
194: ok 9204
194: ok 9205
194: ok 9206
194: ok 9207
194: ok 9208
194: ok 9209
194: ok 9210
194: ok 9211
194: ok 9212
194: ok 9213
194: ok 9214
194: ok 9215
194: ok 9216
194: ok 9217
194: ok 9218
194: ok 9219
194: ok 9220
194: ok 9221
194: ok 9222
194: ok 9223
194: ok 9224
194: ok 9225
194: ok 9226
194: ok 9227
194: ok 9228
194: ok 9229
194: ok 9230
194: ok 9231
194: ok 9232
194: ok 9233
194: ok 9234
194: ok 9235
194: ok 9236
194: ok 9237
194: ok 9238
194: ok 9239
194: ok 9240
194: ok 9241
194: ok 9242
194: ok 9243
194: ok 9244
194: ok 9245
194: ok 9246
194: ok 9247
194: ok 9248
194: ok 9249
194: ok 9250
194: ok 9251
194: ok 9252
194: ok 9253
194: ok 9254
194: ok 9255
194: ok 9256
194: ok 9257
194: ok 9258
194: ok 9259
194: ok 9260
194: ok 9261
194: ok 9262
194: ok 9263
194: ok 9264
194: ok 9265
194: ok 9266
194: ok 9267
194: ok 9268
194: ok 9269
194: ok 9270
194: ok 9271
194: ok 9272
194: ok 9273
194: ok 9274
194: ok 9275
194: ok 9276
194: ok 9277
194: ok 9278
194: ok 9279
194: ok 9280
194: ok 9281
194: ok 9282
194: ok 9283
194: ok 9284
194: ok 9285
194: ok 9286
194: ok 9287
194: ok 9288
194: ok 9289
194: ok 9290
194: ok 9291
194: ok 9292
194: ok 9293
194: ok 9294
194: ok 9295
194: ok 9296
194: ok 9297
194: ok 9298
194: ok 9299
194: ok 9300
194: ok 9301
194: ok 9302
194: ok 9303
194: ok 9304
194: ok 9305
194: ok 9306
194: ok 9307
194: ok 9308
194: ok 9309
194: ok 9310
194: ok 9311
194: ok 9312
194: ok 9313
194: ok 9314
194: ok 9315
194: ok 9316
194: ok 9317
194: ok 9318
194: ok 9319
194: ok 9320
194: ok 9321
194: ok 9322
194: ok 9323
194: ok 9324
194: ok 9325
194: ok 9326
194: ok 9327
194: ok 9328
194: ok 9329
194: ok 9330
194: ok 9331
194: ok 9332
194: ok 9333
194: ok 9334
194: ok 9335
194: ok 9336
194: ok 9337
194: ok 9338
194: ok 9339
194: ok 9340
194: ok 9341
194: ok 9342
194: ok 9343
194: ok 9344
194: ok 9345
194: ok 9346
194: ok 9347
194: ok 9348
194: ok 9349
194: ok 9350
194: ok 9351
194: ok 9352
194: ok 9353
194: ok 9354
194: ok 9355
194: ok 9356
194: ok 9357
194: ok 9358
194: ok 9359
194: ok 9360
194: ok 9361
194: ok 9362
194: ok 9363
194: ok 9364
194: ok 9365
194: ok 9366
194: ok 9367
194: ok 9368
194: ok 9369
194: ok 9370
194: ok 9371
194: ok 9372
194: ok 9373
194: ok 9374
194: ok 9375
194: ok 9376
194: ok 9377
194: ok 9378
194: ok 9379
194: ok 9380
194: ok 9381
194: ok 9382
194: ok 9383
194: ok 9384
194: ok 9385
194: ok 9386
194: ok 9387
194: ok 9388
194: ok 9389
194: ok 9390
194: ok 9391
194: ok 9392
194: ok 9393
194: ok 9394
194: ok 9395
194: ok 9396
194: ok 9397
194: ok 9398
194: ok 9399
194: ok 9400
194: ok 9401
194: ok 9402
194: ok 9403
194: ok 9404
194: ok 9405
194: ok 9406
194: ok 9407
194: ok 9408
194: ok 9409
194: ok 9410
194: ok 9411
194: ok 9412
194: ok 9413
194: ok 9414
194: ok 9415
194: ok 9416
194: ok 9417
194: ok 9418
194: ok 9419
194: ok 9420
194: ok 9421
194: ok 9422
194: ok 9423
194: ok 9424
194: ok 9425
194: ok 9426
194: ok 9427
194: ok 9428
194: ok 9429
194: ok 9430
194: ok 9431
194: ok 9432
194: ok 9433
194: ok 9434
194: ok 9435
194: ok 9436
194: ok 9437
194: ok 9438
194: ok 9439
194: ok 9440
194: ok 9441
194: ok 9442
194: ok 9443
194: ok 9444
194: ok 9445
194: ok 9446
194: ok 9447
194: ok 9448
194: ok 9449
194: ok 9450
194: ok 9451
194: ok 9452
194: ok 9453
194: ok 9454
194: ok 9455
194: ok 9456
194: ok 9457
194: ok 9458
194: ok 9459
194: ok 9460
194: ok 9461
194: ok 9462
194: ok 9463
194: ok 9464
194: ok 9465
194: ok 9466
194: ok 9467
194: ok 9468
194: ok 9469
194: ok 9470
194: ok 9471
194: ok 9472
194: ok 9473
194: ok 9474
194: ok 9475
194: ok 9476
194: ok 9477
194: ok 9478
194: ok 9479
194: ok 9480
194: ok 9481
194: ok 9482
194: ok 9483
194: ok 9484
194: ok 9485
194: ok 9486
194: ok 9487
194: ok 9488
194: ok 9489
194: ok 9490
194: ok 9491
194: ok 9492
194: ok 9493
194: ok 9494
194: ok 9495
194: ok 9496
194: ok 9497
194: ok 9498
194: ok 9499
194: ok 9500
194: ok 9501
194: ok 9502
194: ok 9503
194: ok 9504
194: ok 9505
194: ok 9506
194: ok 9507
194: ok 9508
194: ok 9509
194: ok 9510
194: ok 9511
194: ok 9512
194: ok 9513
194: ok 9514
194: ok 9515
194: ok 9516
194: ok 9517
194: ok 9518
194: ok 9519
194: ok 9520
194: ok 9521
194: ok 9522
194: ok 9523
194: ok 9524
194: ok 9525
194: ok 9526
194: ok 9527
194: ok 9528
194: ok 9529
194: ok 9530
194: ok 9531
194: ok 9532
194: ok 9533
194: ok 9534
194: ok 9535
194: ok 9536
194: ok 9537
194: ok 9538
194: ok 9539
194: ok 9540
194: ok 9541
194: ok 9542
194: ok 9543
194: ok 9544
194: ok 9545
194: ok 9546
194: ok 9547
194: ok 9548
194: ok 9549
194: ok 9550
194: ok 9551
194: ok 9552
194: ok 9553
194: ok 9554
194: ok 9555
194: ok 9556
194: ok 9557
194: ok 9558
194: ok 9559
194: ok 9560
194: ok 9561
194: ok 9562
194: ok 9563
194: ok 9564
194: ok 9565
194: ok 9566
194: ok 9567
194: ok 9568
194: ok 9569
194: ok 9570
194: ok 9571
194: ok 9572
194: ok 9573
194: ok 9574
194: ok 9575
194: ok 9576
194: ok 9577
194: ok 9578
194: ok 9579
194: ok 9580
194: ok 9581
194: ok 9582
194: ok 9583
194: ok 9584
194: ok 9585
194: ok 9586
194: ok 9587
194: ok 9588
194: ok 9589
194: ok 9590
194: ok 9591
194: ok 9592
194: ok 9593
194: ok 9594
194: ok 9595
194: ok 9596
194: ok 9597
194: ok 9598
194: ok 9599
194: ok 9600
194: ok 9601
194: ok 9602
194: ok 9603
194: ok 9604
194: ok 9605
194: ok 9606
194: ok 9607
194: ok 9608
194: ok 9609
194: ok 9610
194: ok 9611
194: ok 9612
194: ok 9613
194: ok 9614
194: ok 9615
194: ok 9616
194: ok 9617
194: ok 9618
194: ok 9619
194: ok 9620
194: ok 9621
194: ok 9622
194: ok 9623
194: ok 9624
194: ok 9625
194: ok 9626
194: ok 9627
194: ok 9628
194: ok 9629
194: ok 9630
194: ok 9631
194: ok 9632
194: ok 9633
194: ok 9634
194: ok 9635
194: ok 9636
194: ok 9637
194: ok 9638
194: ok 9639
194: ok 9640
194: ok 9641
194: ok 9642
194: ok 9643
194: ok 9644
194: ok 9645
194: ok 9646
194: ok 9647
194: ok 9648
194: ok 9649
194: ok 9650
194: ok 9651
194: ok 9652
194: ok 9653
194: ok 9654
194: ok 9655
194: ok 9656
194: ok 9657
194: ok 9658
194: ok 9659
194: ok 9660
194: ok 9661
194: ok 9662
194: ok 9663
194: ok 9664
194: ok 9665
194: ok 9666
194: ok 9667
194: ok 9668
194: ok 9669
194: ok 9670
194: ok 9671
194: ok 9672
194: ok 9673
194: ok 9674
194: ok 9675
194: ok 9676
194: ok 9677
194: ok 9678
194: ok 9679
194: ok 9680
194: ok 9681
194: ok 9682
194: ok 9683
194: ok 9684
194: ok 9685
194: ok 9686
194: ok 9687
194: ok 9688
194: ok 9689
194: ok 9690
194: ok 9691
194: ok 9692
194: ok 9693
194: ok 9694
194: ok 9695
194: ok 9696
194: ok 9697
194: ok 9698
194: ok 9699
194: ok 9700
194: ok 9701
194: ok 9702
194: ok 9703
194: ok 9704
194: ok 9705
194: ok 9706
194: ok 9707
194: ok 9708
194: ok 9709
194: ok 9710
194: ok 9711
194: ok 9712
194: ok 9713
194: ok 9714
194: ok 9715
194: ok 9716
194: ok 9717
194: ok 9718
194: ok 9719
194: ok 9720
194: ok 9721
194: ok 9722
194: ok 9723
194: ok 9724
194: ok 9725
194: ok 9726
194: ok 9727
194: ok 9728
194: ok 9729
194: ok 9730
194: ok 9731
194: ok 9732
194: ok 9733
194: ok 9734
194: ok 9735
194: ok 9736
194: ok 9737
194: ok 9738
194: ok 9739
194: ok 9740
194: ok 9741
194: ok 9742
194: ok 9743
194: ok 9744
194: ok 9745
194: ok 9746
194: ok 9747
194: ok 9748
194: ok 9749
194: ok 9750
194: ok 9751
194: ok 9752
194: ok 9753
194: ok 9754
194: ok 9755
194: ok 9756
194: ok 9757
194: ok 9758
194: ok 9759
194: ok 9760
194: ok 9761
194: ok 9762
194: ok 9763
194: ok 9764
194: ok 9765
194: ok 9766
194: ok 9767
194: ok 9768
194: ok 9769
194: ok 9770
194: ok 9771
194: ok 9772
194: ok 9773
194: ok 9774
194: ok 9775
194: ok 9776
194: ok 9777
194: ok 9778
194: ok 9779
194: ok 9780
194: ok 9781
194: ok 9782
194: ok 9783
194: ok 9784
194: ok 9785
194: ok 9786
194: ok 9787
194: ok 9788
194: ok 9789
194: ok 9790
194: ok 9791
194: ok 9792
194: ok 9793
194: ok 9794
194: ok 9795
194: ok 9796
194: ok 9797
194: ok 9798
194: ok 9799
194: ok 9800
194: ok 9801
194: ok 9802
194: ok 9803
194: ok 9804
194: ok 9805
194: ok 9806
194: ok 9807
194: ok 9808
194: ok 9809
194: ok 9810
194: ok 9811
194: ok 9812
194: ok 9813
194: ok 9814
194: ok 9815
194: ok 9816
194: ok 9817
194: ok 9818
194: ok 9819
194: ok 9820
194: ok 9821
194: ok 9822
194: ok 9823
194: ok 9824
194: ok 9825
194: ok 9826
194: ok 9827
194: ok 9828
194: ok 9829
194: ok 9830
194: ok 9831
194: ok 9832
194: ok 9833
194: ok 9834
194: ok 9835
194: ok 9836
194: ok 9837
194: ok 9838
194: ok 9839
194: ok 9840
194: ok 9841
194: ok 9842
194: ok 9843
194: ok 9844
194: ok 9845
194: ok 9846
194: ok 9847
194: ok 9848
194: ok 9849
194: ok 9850
194: ok 9851
194: ok 9852
194: ok 9853
194: ok 9854
194: ok 9855
194: ok 9856
194: ok 9857
194: ok 9858
194: ok 9859
194: ok 9860
194: ok 9861
194: ok 9862
194: ok 9863
194: ok 9864
194: ok 9865
194: ok 9866
194: ok 9867
194: ok 9868
194: ok 9869
194: ok 9870
194: ok 9871
194: ok 9872
194: ok 9873
194: ok 9874
194: ok 9875
194: ok 9876
194: ok 9877
194: ok 9878
194: ok 9879
194: ok 9880
194: ok 9881
194: ok 9882
194: ok 9883
194: ok 9884
194: ok 9885
194: ok 9886
194: ok 9887
194: ok 9888
194: ok 9889
194: ok 9890
194: ok 9891
194: ok 9892
194: ok 9893
194: ok 9894
194: ok 9895
194: ok 9896
194: ok 9897
194: ok 9898
194: ok 9899
194: ok 9900
194: ok 9901
194: ok 9902
194: ok 9903
194: ok 9904
194: ok 9905
194: ok 9906
194: ok 9907
194: ok 9908
194: ok 9909
194: ok 9910
194: ok 9911
194: ok 9912
194: ok 9913
194: ok 9914
194: ok 9915
194: ok 9916
194: ok 9917
194: ok 9918
194: ok 9919
194: ok 9920
194: ok 9921
194: ok 9922
194: ok 9923
194: ok 9924
194: ok 9925
194: ok 9926
194: ok 9927
194: ok 9928
194: ok 9929
194: ok 9930
194: ok 9931
194: ok 9932
194: ok 9933
194: ok 9934
194: ok 9935
194: ok 9936
194: ok 9937
194: ok 9938
194: ok 9939
194: ok 9940
194: ok 9941
194: ok 9942
194: ok 9943
194: ok 9944
194: ok 9945
194: ok 9946
194: ok 9947
194: ok 9948
194: ok 9949
194: ok 9950
194: ok 9951
194: ok 9952
194: ok 9953
194: ok 9954
194: ok 9955
194: ok 9956
194: ok 9957
194: ok 9958
194: ok 9959
194: ok 9960
194: ok 9961
194: ok 9962
194: ok 9963
194: ok 9964
194: ok 9965
194: ok 9966
194: ok 9967
194: ok 9968
194: ok 9969
194: ok 9970
194: ok 9971
194: ok 9972
194: ok 9973
194: ok 9974
194: ok 9975
194: ok 9976
194: ok 9977
194: ok 9978
194: ok 9979
194: ok 9980
194: ok 9981
194: ok 9982
194: ok 9983
194: ok 9984
194: ok 9985
194: ok 9986
194: ok 9987
194: ok 9988
194: ok 9989
194: ok 9990
194: ok 9991
194: ok 9992
194: ok 9993
194: ok 9994
194: ok 9995
194: ok 9996
194: ok 9997
194: ok 9998
194: ok 9999
194: ok 10000
194: ok 10001
194: ok 10002
194: ok 10003
194: ok 10004
194: ok 10005
194: ok 10006
194: ok 10007
194: ok 10008
194: ok 10009
194: ok 10010
194: ok 10011
194: ok 10012
194: ok 10013
194: ok 10014
194: ok 10015
194: ok 10016
194: ok 10017
194: ok 10018
194: ok 10019
194: ok 10020
194: ok 10021
194: ok 10022
194: ok 10023
194: ok 10024
194: ok 10025
194: ok 10026
194: ok 10027
194: ok 10028
194: ok 10029
194: ok 10030
194: ok 10031
194: ok 10032
194: ok 10033
194: ok 10034
194: ok 10035
194: ok 10036
194: ok 10037
194: ok 10038
194: ok 10039
194: ok 10040
194: ok 10041
194: ok 10042
194: ok 10043
194: ok 10044
194: ok 10045
194: ok 10046
194: ok 10047
194: ok 10048
194: ok 10049
194: ok 10050
194: ok 10051
194: ok 10052
194: ok 10053
194: ok 10054
194: ok 10055
194: ok 10056
194: ok 10057
194: ok 10058
194: ok 10059
194: ok 10060
194: ok 10061
194: ok 10062
194: ok 10063
194: ok 10064
194: ok 10065
194: ok 10066
194: ok 10067
194: ok 10068
194: ok 10069
194: ok 10070
194: ok 10071
194: ok 10072
194: ok 10073
194: ok 10074
194: ok 10075
194: ok 10076
194: ok 10077
194: ok 10078
194: ok 10079
194: ok 10080
194: ok 10081
194: ok 10082
194: ok 10083
194: ok 10084
194: ok 10085
194: ok 10086
194: ok 10087
194: ok 10088
194: ok 10089
194: ok 10090
194: ok 10091
194: ok 10092
194: ok 10093
194: ok 10094
194: ok 10095
194: ok 10096
194: ok 10097
194: ok 10098
194: ok 10099
194: ok 10100
194: ok 10101
194: ok 10102
194: ok 10103
194: ok 10104
194: ok 10105
194: ok 10106
194: ok 10107
194: ok 10108
194: ok 10109
194: ok 10110
194: ok 10111
194: ok 10112
194: ok 10113
194: ok 10114
194: ok 10115
194: ok 10116
194: ok 10117
194: ok 10118
194: ok 10119
194: ok 10120
194: ok 10121
194: ok 10122
194: ok 10123
194: ok 10124
194: ok 10125
194: ok 10126
194: ok 10127
194: ok 10128
194: ok 10129
194: ok 10130
194: ok 10131
194: ok 10132
194: ok 10133
194: ok 10134
194: ok 10135
194: ok 10136
194: ok 10137
194: ok 10138
194: ok 10139
194: ok 10140
194: ok 10141
194: ok 10142
194: ok 10143
194: ok 10144
194: ok 10145
194: ok 10146
194: ok 10147
194: ok 10148
194: ok 10149
194: ok 10150
194: ok 10151
194: ok 10152
194: ok 10153
194: ok 10154
194: ok 10155
194: ok 10156
194: ok 10157
194: ok 10158
194: ok 10159
194: ok 10160
194: ok 10161
194: ok 10162
194: ok 10163
194: ok 10164
194: ok 10165
194: ok 10166
194: ok 10167
194: ok 10168
194: ok 10169
194: ok 10170
194: ok 10171
194: ok 10172
194: ok 10173
194: ok 10174
194: ok 10175
194: ok 10176
194: ok 10177
194: ok 10178
194: ok 10179
194: ok 10180
194: ok 10181
194: ok 10182
194: ok 10183
194: ok 10184
194: ok 10185
194: ok 10186
194: ok 10187
194: ok 10188
194: ok 10189
194: ok 10190
194: ok 10191
194: ok 10192
194: ok 10193
194: ok 10194
194: ok 10195
194: ok 10196
194: ok 10197
194: ok 10198
194: ok 10199
194: ok 10200
194: ok 10201
194: ok 10202
194: ok 10203
194: ok 10204
194: ok 10205
194: ok 10206
194: ok 10207
194: ok 10208
194: ok 10209
194: ok 10210
194: ok 10211
194: ok 10212
194: ok 10213
194: ok 10214
194: ok 10215
194: ok 10216
194: ok 10217
194: ok 10218
194: ok 10219
194: ok 10220
194: ok 10221
194: ok 10222
194: ok 10223
194: ok 10224
194: ok 10225
194: ok 10226
194: ok 10227
194: ok 10228
194: ok 10229
194: ok 10230
194: ok 10231
194: ok 10232
194: ok 10233
194: ok 10234
194: ok 10235
194: ok 10236
194: ok 10237
194: ok 10238
194: ok 10239
194: ok 10240
194: ok 10241
194: ok 10242
194: ok 10243
194: ok 10244
194: ok 10245
194: ok 10246
194: ok 10247
194: ok 10248
194: ok 10249
194: ok 10250
194: ok 10251
194: ok 10252
194: ok 10253
194: ok 10254
194: ok 10255
194: ok 10256
194: ok 10257
194: ok 10258
194: ok 10259
194: ok 10260
194: ok 10261
194: ok 10262
194: ok 10263
194: ok 10264
194: ok 10265
194: ok 10266
194: ok 10267
194: ok 10268
194: ok 10269
194: ok 10270
194: ok 10271
194: ok 10272
194: ok 10273
194: ok 10274
194: ok 10275
194: ok 10276
194: ok 10277
194: ok 10278
194: ok 10279
194: ok 10280
194: ok 10281
194: ok 10282
194: ok 10283
194: ok 10284
194: ok 10285
194: ok 10286
194: ok 10287
194: ok 10288
194: ok 10289
194: ok 10290
194: ok 10291
194: ok 10292
194: ok 10293
194: ok 10294
194: ok 10295
194: ok 10296
194: ok 10297
194: ok 10298
194: ok 10299
194: ok 10300
194: ok 10301
194: ok 10302
194: ok 10303
194: ok 10304
194: ok 10305
194: ok 10306
194: ok 10307
194: ok 10308
194: ok 10309
194: ok 10310
194: ok 10311
194: ok 10312
194: ok 10313
194: ok 10314
194: ok 10315
194: ok 10316
194: ok 10317
194: ok 10318
194: ok 10319
194: ok 10320
194: ok 10321
194: ok 10322
194: ok 10323
194: ok 10324
194: ok 10325
194: ok 10326
194: ok 10327
194: ok 10328
194: ok 10329
194: ok 10330
194: ok 10331
194: ok 10332
194: ok 10333
194: ok 10334
194: ok 10335
194: ok 10336
194: ok 10337
194: ok 10338
194: ok 10339
194: ok 10340
194: ok 10341
194: ok 10342
194: ok 10343
194: ok 10344
194: ok 10345
194: ok 10346
194: ok 10347
194: ok 10348
194: ok 10349
194: ok 10350
194: ok 10351
194: ok 10352
194: ok 10353
194: ok 10354
194: ok 10355
194: ok 10356
194: ok 10357
194: ok 10358
194: ok 10359
194: ok 10360
194: ok 10361
194: ok 10362
194: ok 10363
194: ok 10364
194: ok 10365
194: ok 10366
194: ok 10367
194: ok 10368
194: ok 10369
194: ok 10370
194: ok 10371
194: ok 10372
194: ok 10373
194: ok 10374
194: ok 10375
194: ok 10376
194: ok 10377
194: ok 10378
194: ok 10379
194: ok 10380
194: ok 10381
194: ok 10382
194: ok 10383
194: ok 10384
194: ok 10385
194: ok 10386
194: ok 10387
194: ok 10388
194: ok 10389
194: ok 10390
194: ok 10391
194: ok 10392
194: ok 10393
194: ok 10394
194: ok 10395
194: ok 10396
194: ok 10397
194: ok 10398
194: ok 10399
194: ok 10400
194: ok 10401
194: ok 10402
194: ok 10403
194: ok 10404
194: ok 10405
194: ok 10406
194: ok 10407
194: ok 10408
194: ok 10409
194: ok 10410
194: ok 10411
194: ok 10412
194: ok 10413
194: ok 10414
194: ok 10415
194: ok 10416
194: ok 10417
194: ok 10418
194: ok 10419
194: ok 10420
194: ok 10421
194: ok 10422
194: ok 10423
194: ok 10424
194: ok 10425
194: ok 10426
194: ok 10427
194: ok 10428
194: ok 10429
194: ok 10430
194: ok 10431
194: ok 10432
194: ok 10433
194: ok 10434
194: ok 10435
194: ok 10436
194: ok 10437
194: ok 10438
194: ok 10439
194: ok 10440
194: ok 10441
194: ok 10442
194: ok 10443
194: ok 10444
194: ok 10445
194: ok 10446
194: ok 10447
194: ok 10448
194: ok 10449
194: ok 10450
194: ok 10451
194: ok 10452
194: ok 10453
194: ok 10454
194: ok 10455
194: ok 10456
194: ok 10457
194: ok 10458
194: ok 10459
194: ok 10460
194: ok 10461
194: ok 10462
194: ok 10463
194: ok 10464
194: ok 10465
194: ok 10466
194: ok 10467
194: ok 10468
194: ok 10469
194: ok 10470
194: ok 10471
194: ok 10472
194: ok 10473
194: ok 10474
194: ok 10475
194: ok 10476
194: ok 10477
194: ok 10478
194: ok 10479
194: ok 10480
194: ok 10481
194: ok 10482
194: ok 10483
194: ok 10484
194: ok 10485
194: ok 10486
194: ok 10487
194: ok 10488
194: ok 10489
194: ok 10490
194: ok 10491
194: ok 10492
194: ok 10493
194: ok 10494
194: ok 10495
194: ok 10496
194: ok 10497
194: ok 10498
194: ok 10499
194: ok 10500
194: ok 10501
194: ok 10502
194: ok 10503
194: ok 10504
194: ok 10505
194: ok 10506
194: ok 10507
194: ok 10508
194: ok 10509
194: ok 10510
194: ok 10511
194: ok 10512
194: ok 10513
194: ok 10514
194: ok 10515
194: ok 10516
194: ok 10517
194: ok 10518
194: ok 10519
194: ok 10520
194: ok 10521
194: ok 10522
194: ok 10523
194: ok 10524
194: ok 10525
194: ok 10526
194: ok 10527
194: ok 10528
194: ok 10529
194: ok 10530
194: ok 10531
194: ok 10532
194: ok 10533
194: ok 10534
194: ok 10535
194: ok 10536
194: ok 10537
194: ok 10538
194: ok 10539
194: ok 10540
194: ok 10541
194: ok 10542
194: ok 10543
194: ok 10544
194: ok 10545
194: ok 10546
194: ok 10547
194: ok 10548
194: ok 10549
194: ok 10550
194: ok 10551
194: ok 10552
194: ok 10553
194: ok 10554
194: ok 10555
194: ok 10556
194: ok 10557
194: ok 10558
194: ok 10559
194: ok 10560
194: ok 10561
194: ok 10562
194: ok 10563
194: ok 10564
194: ok 10565
194: ok 10566
194: ok 10567
194: ok 10568
194: ok 10569
194: ok 10570
194: ok 10571
194: ok 10572
194: ok 10573
194: ok 10574
194: ok 10575
194: ok 10576
194: ok 10577
194: ok 10578
194: ok 10579
194: ok 10580
194: ok 10581
194: ok 10582
194: ok 10583
194: ok 10584
194: ok 10585
194: ok 10586
194: ok 10587
194: ok 10588
194: ok 10589
194: ok 10590
194: ok 10591
194: ok 10592
194: ok 10593
194: ok 10594
194: ok 10595
194: ok 10596
194: ok 10597
194: ok 10598
194: ok 10599
194: ok 10600
194: ok 10601
194: ok 10602
194: ok 10603
194: ok 10604
194: ok 10605
194: ok 10606
194: ok 10607
194: ok 10608
194: ok 10609
194: ok 10610
194: ok 10611
194: ok 10612
194: ok 10613
194: ok 10614
194: ok 10615
194: ok 10616
194: ok 10617
194: ok 10618
194: ok 10619
194: ok 10620
194: ok 10621
194: ok 10622
194: ok 10623
194: ok 10624
194: ok 10625
194: ok 10626
194: ok 10627
194: ok 10628
194: ok 10629
194: ok 10630
194: ok 10631
194: ok 10632
194: ok 10633
194: ok 10634
194: ok 10635
194: ok 10636
194: ok 10637
194: ok 10638
194: ok 10639
194: ok 10640
194: ok 10641
194: ok 10642
194: ok 10643
194: ok 10644
194: ok 10645
194: ok 10646
194: ok 10647
194: ok 10648
194: ok 10649
194: ok 10650
194: ok 10651
194: ok 10652
194: ok 10653
194: ok 10654
194: ok 10655
194: ok 10656
194: ok 10657
194: ok 10658
194: ok 10659
194: ok 10660
194: ok 10661
194: ok 10662
194: ok 10663
194: ok 10664
194: ok 10665
194: ok 10666
194: ok 10667
194: ok 10668
194: ok 10669
194: ok 10670
194: ok 10671
194: ok 10672
194: ok 10673
194: ok 10674
194: ok 10675
194: ok 10676
194: ok 10677
194: ok 10678
194: ok 10679
194: ok 10680
194: ok 10681
194: ok 10682
194: ok 10683
194: ok 10684
194: ok 10685
194: ok 10686
194: ok 10687
194: ok 10688
194: ok 10689
194: ok 10690
194: ok 10691
194: ok 10692
194: ok 10693
194: ok 10694
194: ok 10695
194: ok 10696
194: ok 10697
194: ok 10698
194: ok 10699
194: ok 10700
194: ok 10701
194: ok 10702
194: ok 10703
194: ok 10704
194: ok 10705
194: ok 10706
194: ok 10707
194: ok 10708
194: ok 10709
194: ok 10710
194: ok 10711
194: ok 10712
194: ok 10713
194: ok 10714
194: ok 10715
194: ok 10716
194: ok 10717
194: ok 10718
194: ok 10719
194: ok 10720
194: ok 10721
194: ok 10722
194: ok 10723
194: ok 10724
194: ok 10725
194: ok 10726
194: ok 10727
194: ok 10728
194: ok 10729
194: ok 10730
194: ok 10731
194: ok 10732
194: ok 10733
194: ok 10734
194: ok 10735
194: ok 10736
194: ok 10737
194: ok 10738
194: ok 10739
194: ok 10740
194: ok 10741
194: ok 10742
194: ok 10743
194: ok 10744
194: ok 10745
194: ok 10746
194: ok 10747
194: ok 10748
194: ok 10749
194: ok 10750
194: ok 10751
194: ok 10752
194: ok 10753
194: ok 10754
194: ok 10755
194: ok 10756
194: ok 10757
194: ok 10758
194: ok 10759
194: ok 10760
194: ok 10761
194: ok 10762
194: ok 10763
194: ok 10764
194: ok 10765
194: ok 10766
194: ok 10767
194: ok 10768
194: ok 10769
194: ok 10770
194: ok 10771
194: ok 10772
194: ok 10773
194: ok 10774
194: ok 10775
194: ok 10776
194: ok 10777
194: ok 10778
194: ok 10779
194: ok 10780
194: ok 10781
194: ok 10782
194: ok 10783
194: ok 10784
194: ok 10785
194: ok 10786
194: ok 10787
194: ok 10788
194: ok 10789
194: ok 10790
194: ok 10791
194: ok 10792
194: ok 10793
194: ok 10794
194: ok 10795
194: ok 10796
194: ok 10797
194: ok 10798
194: ok 10799
194: ok 10800
194: ok 10801
194: ok 10802
194: ok 10803
194: ok 10804
194: ok 10805
194: ok 10806
194: ok 10807
194: ok 10808
194: ok 10809
194: ok 10810
194: ok 10811
194: ok 10812
194: ok 10813
194: ok 10814
194: ok 10815
194: ok 10816
194: ok 10817
194: ok 10818
194: ok 10819
194: ok 10820
194: ok 10821
194: ok 10822
194: ok 10823
194: ok 10824
194: ok 10825
194: ok 10826
194: ok 10827
194: ok 10828
194: ok 10829
194: ok 10830
194: ok 10831
194: ok 10832
194: ok 10833
194: ok 10834
194: ok 10835
194: ok 10836
194: ok 10837
194: ok 10838
194: ok 10839
194: ok 10840
194: ok 10841
194: ok 10842
194: ok 10843
194: ok 10844
194: ok 10845
194: ok 10846
194: ok 10847
194: ok 10848
194: ok 10849
194: ok 10850
194: ok 10851
194: ok 10852
194: ok 10853
194: ok 10854
194: ok 10855
194: ok 10856
194: ok 10857
194: ok 10858
194: ok 10859
194: ok 10860
194: ok 10861
194: ok 10862
194: ok 10863
194: ok 10864
194: ok 10865
194: ok 10866
194: ok 10867
194: ok 10868
194: ok 10869
194: ok 10870
194: ok 10871
194: ok 10872
194: ok 10873
194: ok 10874
194: ok 10875
194: ok 10876
194: ok 10877
194: ok 10878
194: ok 10879
194: ok 10880
194: ok 10881
194: ok 10882
194: ok 10883
194: ok 10884
194: ok 10885
194: ok 10886
194: ok 10887
194: ok 10888
194: ok 10889
194: ok 10890
194: ok 10891
194: ok 10892
194: ok 10893
194: ok 10894
194: ok 10895
194: ok 10896
194: ok 10897
194: ok 10898
194: ok 10899
194: ok 10900
194: ok 10901
194: ok 10902
194: ok 10903
194: ok 10904
194: ok 10905
194: ok 10906
194: ok 10907
194: ok 10908
194: ok 10909
194: ok 10910
194: ok 10911
194: ok 10912
194: ok 10913
194: ok 10914
194: ok 10915
194: ok 10916
194: ok 10917
194: ok 10918
194: ok 10919
194: ok 10920
194: ok 10921
194: ok 10922
194: ok 10923
194: ok 10924
194: ok 10925
194: ok 10926
194: ok 10927
194: ok 10928
194: ok 10929
194: ok 10930
194: ok 10931
194: ok 10932
194: ok 10933
194: ok 10934
194: ok 10935
194: ok 10936
194: ok 10937
194: ok 10938
194: ok 10939
194: ok 10940
194: ok 10941
194: ok 10942
194: ok 10943
194: ok 10944
194: ok 10945
194: ok 10946
194: ok 10947
194: ok 10948
194: ok 10949
194: ok 10950
194: ok 10951
194: ok 10952
194: ok 10953
194: ok 10954
194: ok 10955
194: ok 10956
194: ok 10957
194: ok 10958
194: ok 10959
194: ok 10960
194: ok 10961
194: ok 10962
194: ok 10963
194: ok 10964
194: ok 10965
194: ok 10966
194: ok 10967
194: ok 10968
194: ok 10969
194: ok 10970
194: ok 10971
194: ok 10972
194: ok 10973
194: ok 10974
194: ok 10975
194: ok 10976
194: ok 10977
194: ok 10978
194: ok 10979
194: ok 10980
194: ok 10981
194: ok 10982
194: ok 10983
194: ok 10984
194: ok 10985
194: ok 10986
194: ok 10987
194: ok 10988
194: ok 10989
194: ok 10990
194: ok 10991
194: ok 10992
194: ok 10993
194: ok 10994
194: ok 10995
194: ok 10996
194: ok 10997
194: ok 10998
194: ok 10999
194: ok 11000
194: ok 11001
194: ok 11002
194: ok 11003
194: ok 11004
194: ok 11005
194: ok 11006
194: ok 11007
194: ok 11008
194: ok 11009
194: ok 11010
194: ok 11011
194: ok 11012
194: ok 11013
194: ok 11014
194: ok 11015
194: ok 11016
194: ok 11017
194: ok 11018
194: ok 11019
194: ok 11020
194: ok 11021
194: ok 11022
194: ok 11023
194: ok 11024
194: ok 11025
194: ok 11026
194: ok 11027
194: ok 11028
194: ok 11029
194: ok 11030
194: ok 11031
194: ok 11032
194: ok 11033
194: ok 11034
194: ok 11035
194: ok 11036
194: ok 11037
194: ok 11038
194: ok 11039
194: ok 11040
194: ok 11041
194: ok 11042
194: ok 11043
194: ok 11044
194: ok 11045
194: ok 11046
194: ok 11047
194: ok 11048
194: ok 11049
194: ok 11050
194: ok 11051
194: ok 11052
194: ok 11053
194: ok 11054
194: ok 11055
194: ok 11056
194: ok 11057
194: ok 11058
194: ok 11059
194: ok 11060
194: ok 11061
194: ok 11062
194: ok 11063
194: ok 11064
194: ok 11065
194: ok 11066
194: ok 11067
194: ok 11068
194: ok 11069
194: ok 11070
194: ok 11071
194: ok 11072
194: ok 11073
194: ok 11074
194: ok 11075
194: ok 11076
194: ok 11077
194: ok 11078
194: ok 11079
194: ok 11080
194: ok 11081
194: ok 11082
194: ok 11083
194: ok 11084
194: ok 11085
194: ok 11086
194: ok 11087
194: ok 11088
194: ok 11089
194: ok 11090
194: ok 11091
194: ok 11092
194: ok 11093
194: ok 11094
194: ok 11095
194: ok 11096
194: ok 11097
194: ok 11098
194: ok 11099
194: ok 11100
194: ok 11101
194: ok 11102
194: ok 11103
194: ok 11104
194: ok 11105
194: ok 11106
194: ok 11107
194: ok 11108
194: ok 11109
194: ok 11110
194: ok 11111
194: ok 11112
194: ok 11113
194: ok 11114
194: ok 11115
194: ok 11116
194: ok 11117
194: ok 11118
194: ok 11119
194: ok 11120
194: ok 11121
194: ok 11122
194: ok 11123
194: ok 11124
194: ok 11125
194: ok 11126
194: ok 11127
194: ok 11128
194: ok 11129
194: ok 11130
194: ok 11131
194: ok 11132
194: ok 11133
194: ok 11134
194: ok 11135
194: ok 11136
194: ok 11137
194: ok 11138
194: ok 11139
194: ok 11140
194: ok 11141
194: ok 11142
194: ok 11143
194: ok 11144
194: ok 11145
194: ok 11146
194: ok 11147
194: ok 11148
194: ok 11149
194: ok 11150
194: ok 11151
194: ok 11152
194: ok 11153
194: ok 11154
194: ok 11155
194: ok 11156
194: ok 11157
194: ok 11158
194: ok 11159
194: ok 11160
194: ok 11161
194: ok 11162
194: ok 11163
194: ok 11164
194: ok 11165
194: ok 11166
194: ok 11167
194: ok 11168
194: ok 11169
194: ok 11170
194: ok 11171
194: ok 11172
194: ok 11173
194: ok 11174
194: ok 11175
194: ok 11176
194: ok 11177
194: ok 11178
194: ok 11179
194: ok 11180
194: ok 11181
194: ok 11182
194: ok 11183
194: ok 11184
194: ok 11185
194: ok 11186
194: ok 11187
194: ok 11188
194: ok 11189
194: ok 11190
194: ok 11191
194: ok 11192
194: ok 11193
194: ok 11194
194: ok 11195
194: ok 11196
194: ok 11197
194: ok 11198
194: ok 11199
194: ok 11200
194: ok 11201
194: ok 11202
194: ok 11203
194: ok 11204
194: ok 11205
194: ok 11206
194: ok 11207
194: ok 11208
194: ok 11209
194: ok 11210
194: ok 11211
194: ok 11212
194: ok 11213
194: ok 11214
194: ok 11215
194: ok 11216
194: ok 11217
194: ok 11218
194: ok 11219
194: ok 11220
194: ok 11221
194: ok 11222
194: ok 11223
194: ok 11224
194: ok 11225
194: ok 11226
194: ok 11227
194: ok 11228
194: ok 11229
194: ok 11230
194: ok 11231
194: ok 11232
194: ok 11233
194: ok 11234
194: ok 11235
194: ok 11236
194: ok 11237
194: ok 11238
194: ok 11239
194: ok 11240
194: ok 11241
194: ok 11242
194: ok 11243
194: ok 11244
194: ok 11245
194: ok 11246
194: ok 11247
194: ok 11248
194: ok 11249
194: ok 11250
194: ok 11251
194: ok 11252
194: ok 11253
194: ok 11254
194: ok 11255
194: ok 11256
194: ok 11257
194: ok 11258
194: ok 11259
194: ok 11260
194: ok 11261
194: ok 11262
194: ok 11263
194: ok 11264
194: ok 11265
194: ok 11266
194: ok 11267
194: ok 11268
194: ok 11269
194: ok 11270
194: ok 11271
194: ok 11272
194: ok 11273
194: ok 11274
194: ok 11275
194: ok 11276
194: ok 11277
194: ok 11278
194: ok 11279
194: ok 11280
194: ok 11281
194: ok 11282
194: ok 11283
194: ok 11284
194: ok 11285
194: ok 11286
194: ok 11287
194: ok 11288
194: ok 11289
194: ok 11290
194: ok 11291
194: ok 11292
194: ok 11293
194: ok 11294
194: ok 11295
194: ok 11296
194: ok 11297
194: ok 11298
194: ok 11299
194: ok 11300
194: ok 11301
194: ok 11302
194: ok 11303
194: ok 11304
194: ok 11305
194: ok 11306
194: ok 11307
194: ok 11308
194: ok 11309
194: ok 11310
194: ok 11311
194: ok 11312
194: ok 11313
194: ok 11314
194: ok 11315
194: ok 11316
194: ok 11317
194: ok 11318
194: ok 11319
194: ok 11320
194: ok 11321
194: ok 11322
194: ok 11323
194: ok 11324
194: ok 11325
194: ok 11326
194: ok 11327
194: ok 11328
194: ok 11329
194: ok 11330
194: ok 11331
194: ok 11332
194: ok 11333
194: ok 11334
194: ok 11335
194: ok 11336
194: ok 11337
194: ok 11338
194: ok 11339
194: ok 11340
194: ok 11341
194: ok 11342
194: ok 11343
194: ok 11344
194: ok 11345
194: ok 11346
194: ok 11347
194: ok 11348
194: ok 11349
194: ok 11350
194: ok 11351
194: ok 11352
194: ok 11353
194: ok 11354
194: ok 11355
194: ok 11356
194: ok 11357
194: ok 11358
194: ok 11359
194: ok 11360
194: ok 11361
194: ok 11362
194: ok 11363
194: ok 11364
194: ok 11365
194: ok 11366
194: ok 11367
194: ok 11368
194: ok 11369
194: ok 11370
194: ok 11371
194: ok 11372
194: ok 11373
194: ok 11374
194: ok 11375
194: ok 11376
194: ok 11377
194: ok 11378
194: ok 11379
194: ok 11380
194: ok 11381
194: ok 11382
194: ok 11383
194: ok 11384
194: ok 11385
194: ok 11386
194: ok 11387
194: ok 11388
194: ok 11389
194: ok 11390
194: ok 11391
194: ok 11392
194: ok 11393
194: ok 11394
194: ok 11395
194: ok 11396
194: ok 11397
194: ok 11398
194: ok 11399
194: ok 11400
194: ok 11401
194: ok 11402
194: ok 11403
194: ok 11404
194: ok 11405
194: ok 11406
194: ok 11407
194: ok 11408
194: ok 11409
194: ok 11410
194: ok 11411
194: ok 11412
194: ok 11413
194: ok 11414
194: ok 11415
194: ok 11416
194: ok 11417
194: ok 11418
194: ok 11419
194: ok 11420
194: ok 11421
194: ok 11422
194: ok 11423
194: ok 11424
194: ok 11425
194: ok 11426
194: ok 11427
194: ok 11428
194: ok 11429
194: ok 11430
194: ok 11431
194: ok 11432
194: ok 11433
194: ok 11434
194: ok 11435
194: ok 11436
194: ok 11437
194: ok 11438
194: ok 11439
194: ok 11440
194: ok 11441
194: ok 11442
194: ok 11443
194: ok 11444
194: ok 11445
194: ok 11446
194: ok 11447
194: ok 11448
194: ok 11449
194: ok 11450
194: ok 11451
194: ok 11452
194: ok 11453
194: ok 11454
194: ok 11455
194: ok 11456
194: ok 11457
194: ok 11458
194: ok 11459
194: ok 11460
194: ok 11461
194: ok 11462
194: ok 11463
194: ok 11464
194: ok 11465
194: ok 11466
194: ok 11467
194: ok 11468
194: ok 11469
194: ok 11470
194: ok 11471
194: ok 11472
194: ok 11473
194: ok 11474
194: ok 11475
194: ok 11476
194: ok 11477
194: ok 11478
194: ok 11479
194: ok 11480
194: ok 11481
194: ok 11482
194: ok 11483
194: ok 11484
194: ok 11485
194: ok 11486
194: ok 11487
194: ok 11488
194: ok 11489
194: ok 11490
194: ok 11491
194: ok 11492
194: ok 11493
194: ok 11494
194: ok 11495
194: ok 11496
194: ok 11497
194: ok 11498
194: ok 11499
194: ok 11500
194: ok 11501
194: ok 11502
194: ok 11503
194: ok 11504
194: ok 11505
194: ok 11506
194: ok 11507
194: ok 11508
194: ok 11509
194: ok 11510
194: ok 11511
194: ok 11512
194: ok 11513
194: ok 11514
194: ok 11515
194: ok 11516
194: ok 11517
194: ok 11518
194: ok 11519
194: ok 11520
194: ok 11521
194: ok 11522
194: ok 11523
194: ok 11524
194: ok 11525
194: ok 11526
194: ok 11527
194: ok 11528
194: ok 11529
194: ok 11530
194: ok 11531
194: ok 11532
194: ok 11533
194: ok 11534
194: ok 11535
194: ok 11536
194: ok 11537
194: ok 11538
194: ok 11539
194: ok 11540
194: ok 11541
194: ok 11542
194: ok 11543
194: ok 11544
194: ok 11545
194: ok 11546
194: ok 11547
194: ok 11548
194: ok 11549
194: ok 11550
194: ok 11551
194: ok 11552
194: ok 11553
194: ok 11554
194: ok 11555
194: ok 11556
194: ok 11557
194: ok 11558
194: ok 11559
194: ok 11560
194: ok 11561
194: ok 11562
194: ok 11563
194: ok 11564
194: ok 11565
194: ok 11566
194: ok 11567
194: ok 11568
194: ok 11569
194: ok 11570
194: ok 11571
194: ok 11572
194: ok 11573
194: ok 11574
194: ok 11575
194: ok 11576
194: ok 11577
194: ok 11578
194: ok 11579
194: ok 11580
194: ok 11581
194: ok 11582
194: ok 11583
194: ok 11584
194: ok 11585
194: ok 11586
194: ok 11587
194: ok 11588
194: ok 11589
194: ok 11590
194: ok 11591
194: ok 11592
194: ok 11593
194: ok 11594
194: ok 11595
194: ok 11596
194: ok 11597
194: ok 11598
194: ok 11599
194: ok 11600
194: ok 11601
194: ok 11602
194: ok 11603
194: ok 11604
194: ok 11605
194: ok 11606
194: ok 11607
194: ok 11608
194: ok 11609
194: ok 11610
194: ok 11611
194: ok 11612
194: ok 11613
194: ok 11614
194: ok 11615
194: ok 11616
194: ok 11617
194: ok 11618
194: ok 11619
194: ok 11620
194: ok 11621
194: ok 11622
194: ok 11623
194: ok 11624
194: ok 11625
194: ok 11626
194: ok 11627
194: ok 11628
194: ok 11629
194: ok 11630
194: ok 11631
194: ok 11632
194: ok 11633
194: ok 11634
194: ok 11635
194: ok 11636
194: ok 11637
194: ok 11638
194: ok 11639
194: ok 11640
194: ok 11641
194: ok 11642
194: ok 11643
194: ok 11644
194: ok 11645
194: ok 11646
194: ok 11647
194: ok 11648
194: ok 11649
194: ok 11650
194: ok 11651
194: ok 11652
194: ok 11653
194: ok 11654
194: ok 11655
194: ok 11656
194: ok 11657
194: ok 11658
194: ok 11659
194: ok 11660
194: ok 11661
194: ok 11662
194: ok 11663
194: ok 11664
194: ok 11665
194: ok 11666
194: ok 11667
194: ok 11668
194: ok 11669
194: ok 11670
194: ok 11671
194: ok 11672
194: ok 11673
194: ok 11674
194: ok 11675
194: ok 11676
194: ok 11677
194: ok 11678
194: ok 11679
194: ok 11680
194: ok 11681
194: ok 11682
194: ok 11683
194: ok 11684
194: ok 11685
194: ok 11686
194: ok 11687
194: ok 11688
194: ok 11689
194: ok 11690
194: ok 11691
194: ok 11692
194: ok 11693
194: ok 11694
194: ok 11695
194: ok 11696
194: ok 11697
194: ok 11698
194: ok 11699
194: ok 11700
194: ok 11701
194: ok 11702
194: ok 11703
194: ok 11704
194: ok 11705
194: ok 11706
194: ok 11707
194: ok 11708
194: ok 11709
194: ok 11710
194: ok 11711
194: ok 11712
194: ok 11713
194: ok 11714
194: ok 11715
194: ok 11716
194: ok 11717
194: ok 11718
194: ok 11719
194: ok 11720
194: ok 11721
194: ok 11722
194: ok 11723
194: ok 11724
194: ok 11725
194: ok 11726
194: ok 11727
194: ok 11728
194: ok 11729
194: ok 11730
194: ok 11731
194: ok 11732
194: ok 11733
194: ok 11734
194: ok 11735
194: ok 11736
194: ok 11737
194: ok 11738
194: ok 11739
194: ok 11740
194: ok 11741
194: ok 11742
194: ok 11743
194: ok 11744
194: ok 11745
194: ok 11746
194: ok 11747
194: ok 11748
194: ok 11749
194: ok 11750
194: ok 11751
194: ok 11752
194: ok 11753
194: ok 11754
194: ok 11755
194: ok 11756
194: ok 11757
194: ok 11758
194: ok 11759
194: ok 11760
194: ok 11761
194: ok 11762
194: ok 11763
194: ok 11764
194: ok 11765
194: ok 11766
194: ok 11767
194: ok 11768
194: ok 11769
194: ok 11770
194: ok 11771
194: ok 11772
194: ok 11773
194: ok 11774
194: ok 11775
194: ok 11776
194: ok 11777
194: ok 11778
194: ok 11779
194: ok 11780
194: ok 11781
194: ok 11782
194: ok 11783
194: ok 11784
194: ok 11785
194: ok 11786
194: ok 11787
194: ok 11788
194: ok 11789
194: ok 11790
194: ok 11791
194: ok 11792
194: ok 11793
194: ok 11794
194: ok 11795
194: ok 11796
194: ok 11797
194: ok 11798
194: ok 11799
194: ok 11800
194: ok 11801
194: ok 11802
194: ok 11803
194: ok 11804
194: ok 11805
194: ok 11806
194: ok 11807
194: ok 11808
194: ok 11809
194: ok 11810
194: ok 11811
194: ok 11812
194: ok 11813
194: ok 11814
194: ok 11815
194: ok 11816
194: ok 11817
194: ok 11818
194: ok 11819
194: ok 11820
194: ok 11821
194: ok 11822
194: ok 11823
194: ok 11824
194: ok 11825
194: ok 11826
194: ok 11827
194: ok 11828
194: ok 11829
194: ok 11830
194: ok 11831
194: ok 11832
194: ok 11833
194: ok 11834
194: ok 11835
194: ok 11836
194: ok 11837
194: ok 11838
194: ok 11839
194: ok 11840
194: ok 11841
194: ok 11842
194: ok 11843
194: ok 11844
194: ok 11845
194: ok 11846
194: ok 11847
194: ok 11848
194: ok 11849
194: ok 11850
194: ok 11851
194: ok 11852
194: ok 11853
194: ok 11854
194: ok 11855
194: ok 11856
194: ok 11857
194: ok 11858
194: ok 11859
194: ok 11860
194: ok 11861
194: ok 11862
194: ok 11863
194: ok 11864
194: ok 11865
194: ok 11866
194: ok 11867
194: ok 11868
194: ok 11869
194: ok 11870
194: ok 11871
194: ok 11872
194: ok 11873
194: ok 11874
194: ok 11875
194: ok 11876
194: ok 11877
194: ok 11878
194: ok 11879
194: ok 11880
194: ok 11881
194: ok 11882
194: ok 11883
194: ok 11884
194: ok 11885
194: ok 11886
194: ok 11887
194: ok 11888
194: ok 11889
194: ok 11890
194: ok 11891
194: ok 11892
194: ok 11893
194: ok 11894
194: ok 11895
194: ok 11896
194: ok 11897
194: ok 11898
194: ok 11899
194: ok 11900
194: ok 11901
194: ok 11902
194: ok 11903
194: ok 11904
194: ok 11905
194: ok 11906
194: ok 11907
194: ok 11908
194: ok 11909
194: ok 11910
194: ok 11911
194: ok 11912
194: ok 11913
194: ok 11914
194: ok 11915
194: ok 11916
194: ok 11917
194: ok 11918
194: ok 11919
194: ok 11920
194: ok 11921
194: ok 11922
194: ok 11923
194: ok 11924
194: ok 11925
194: ok 11926
194: ok 11927
194: ok 11928
194: ok 11929
194: ok 11930
194: ok 11931
194: ok 11932
194: ok 11933
194: ok 11934
194: ok 11935
194: ok 11936
194: ok 11937
194: ok 11938
194: ok 11939
194: ok 11940
194: ok 11941
194: ok 11942
194: ok 11943
194: ok 11944
194: ok 11945
194: ok 11946
194: ok 11947
194: ok 11948
194: ok 11949
194: ok 11950
194: ok 11951
194: ok 11952
194: ok 11953
194: ok 11954
194: ok 11955
194: ok 11956
194: ok 11957
194: ok 11958
194: ok 11959
194: ok 11960
194: ok 11961
194: ok 11962
194: ok 11963
194: ok 11964
194: ok 11965
194: ok 11966
194: ok 11967
194: ok 11968
194: ok 11969
194: ok 11970
194: ok 11971
194: ok 11972
194: ok 11973
194: ok 11974
194: ok 11975
194: ok 11976
194: ok 11977
194: ok 11978
194: ok 11979
194: ok 11980
194: ok 11981
194: ok 11982
194: ok 11983
194: ok 11984
194: ok 11985
194: ok 11986
194: ok 11987
194: ok 11988
194: ok 11989
194: ok 11990
194: ok 11991
194: ok 11992
194: ok 11993
194: ok 11994
194: ok 11995
194: ok 11996
194: ok 11997
194: ok 11998
194: ok 11999
194: ok 12000
194: ok 12001
194: ok 12002
194: ok 12003
194: ok 12004
194: ok 12005
194: ok 12006
194: ok 12007
194: ok 12008
194: ok 12009
194: ok 12010
194: ok 12011
194: ok 12012
194: ok 12013
194: ok 12014
194: ok 12015
194: ok 12016
194: ok 12017
194: ok 12018
194: ok 12019
194: ok 12020
194: ok 12021
194: ok 12022
194: ok 12023
194: ok 12024
194: ok 12025
194: ok 12026
194: ok 12027
194: ok 12028
194: ok 12029
194: ok 12030
194: ok 12031
194: ok 12032
194: ok 12033
194: ok 12034
194: ok 12035
194: ok 12036
194: ok 12037
194: ok 12038
194: ok 12039
194: ok 12040
194: ok 12041
194: ok 12042
194: ok 12043
194: ok 12044
194: ok 12045
194: ok 12046
194: ok 12047
194: ok 12048
194: ok 12049
194: ok 12050
194: ok 12051
194: ok 12052
194: ok 12053
194: ok 12054
194: ok 12055
194: ok 12056
194: ok 12057
194: ok 12058
194: ok 12059
194: ok 12060
194: ok 12061
194: ok 12062
194: ok 12063
194: ok 12064
194: ok 12065
194: ok 12066
194: ok 12067
194: ok 12068
194: ok 12069
194: ok 12070
194: ok 12071
194: ok 12072
194: ok 12073
194: ok 12074
194: ok 12075
194: ok 12076
194: ok 12077
194: ok 12078
194: ok 12079
194: ok 12080
194: ok 12081
194: ok 12082
194: ok 12083
194: ok 12084
194: ok 12085
194: ok 12086
194: ok 12087
194: ok 12088
194: ok 12089
194: ok 12090
194: ok 12091
194: ok 12092
194: ok 12093
194: ok 12094
194: ok 12095
194: ok 12096
194: ok 12097
194: ok 12098
194: ok 12099
194: ok 12100
194: ok 12101
194: ok 12102
194: ok 12103
194: ok 12104
194: ok 12105
194: ok 12106
194: ok 12107
194: ok 12108
194: ok 12109
194: ok 12110
194: ok 12111
194: ok 12112
194: ok 12113
194: ok 12114
194: ok 12115
194: ok 12116
194: ok 12117
194: ok 12118
194: ok 12119
194: ok 12120
194: ok 12121
194: ok 12122
194: ok 12123
194: ok 12124
194: ok 12125
194: ok 12126
194: ok 12127
194: ok 12128
194: ok 12129
194: ok 12130
194: ok 12131
194: ok 12132
194: ok 12133
194: ok 12134
194: ok 12135
194: ok 12136
194: ok 12137
194: ok 12138
194: ok 12139
194: ok 12140
194: ok 12141
194: ok 12142
194: ok 12143
194: ok 12144
194: ok 12145
194: ok 12146
194: ok 12147
194: ok 12148
194: ok 12149
194: ok 12150
194: ok 12151
194: ok 12152
194: ok 12153
194: ok 12154
194: ok 12155
194: ok 12156
194: ok 12157
194: ok 12158
194: ok 12159
194: ok 12160
194: ok 12161
194: ok 12162
194: ok 12163
194: ok 12164
194: ok 12165
194: ok 12166
194: ok 12167
194: ok 12168
194: ok 12169
194: ok 12170
194: ok 12171
194: ok 12172
194: ok 12173
194: ok 12174
194: ok 12175
194: ok 12176
194: ok 12177
194: ok 12178
194: ok 12179
194: ok 12180
194: ok 12181
194: ok 12182
194: ok 12183
194: ok 12184
194: ok 12185
194: ok 12186
194: ok 12187
194: ok 12188
194: ok 12189
194: ok 12190
194: ok 12191
194: ok 12192
194: ok 12193
194: ok 12194
194: ok 12195
194: ok 12196
194: ok 12197
194: ok 12198
194: ok 12199
194: ok 12200
194: ok 12201
194: ok 12202
194: ok 12203
194: ok 12204
194: ok 12205
194: ok 12206
194: ok 12207
194: ok 12208
194: ok 12209
194: ok 12210
194: ok 12211
194: ok 12212
194: ok 12213
194: ok 12214
194: ok 12215
194: ok 12216
194: ok 12217
194: ok 12218
194: ok 12219
194: ok 12220
194: ok 12221
194: ok 12222
194: ok 12223
194: ok 12224
194: ok 12225
194: ok 12226
194: ok 12227
194: ok 12228
194: ok 12229
194: ok 12230
194: ok 12231
194: ok 12232
194: ok 12233
194: ok 12234
194: ok 12235
194: ok 12236
194: ok 12237
194: ok 12238
194: ok 12239
194: ok 12240
194: ok 12241
194: ok 12242
194: ok 12243
194: ok 12244
194: ok 12245
194: ok 12246
194: ok 12247
194: ok 12248
194: ok 12249
194: ok 12250
194: ok 12251
194: ok 12252
194: ok 12253
194: ok 12254
194: ok 12255
194: ok 12256
194: ok 12257
194: ok 12258
194: ok 12259
194: ok 12260
194: ok 12261
194: ok 12262
194: ok 12263
194: ok 12264
194: ok 12265
194: ok 12266
194: ok 12267
194: ok 12268
194: ok 12269
194: ok 12270
194: ok 12271
194: ok 12272
194: ok 12273
194: ok 12274
194: ok 12275
194: ok 12276
194: ok 12277
194: ok 12278
194: ok 12279
194: ok 12280
194: ok 12281
194: ok 12282
194: ok 12283
194: ok 12284
194: ok 12285
194: ok 12286
194: ok 12287
194: ok 12288
194: ok 12289
194: ok 12290
194: ok 12291
194: ok 12292
194: ok 12293
194: ok 12294
194: ok 12295
194: ok 12296
194: ok 12297
194: ok 12298
194: ok 12299
194: ok 12300
194: ok 12301
194: ok 12302
194: ok 12303
194: ok 12304
194: ok 12305
194: ok 12306
194: ok 12307
194: ok 12308
194: ok 12309
194: ok 12310
194: ok 12311
194: ok 12312
194: ok 12313
194: ok 12314
194: ok 12315
194: ok 12316
194: ok 12317
194: ok 12318
194: ok 12319
194: ok 12320
194: ok 12321
194: ok 12322
194: ok 12323
194: ok 12324
194: ok 12325
194: ok 12326
194: ok 12327
194: ok 12328
194: ok 12329
194: ok 12330
194: ok 12331
194: ok 12332
194: ok 12333
194: ok 12334
194: ok 12335
194: ok 12336
194: ok 12337
194: ok 12338
194: ok 12339
194: ok 12340
194: ok 12341
194: ok 12342
194: ok 12343
194: ok 12344
194: ok 12345
194: ok 12346
194: ok 12347
194: ok 12348
194: ok 12349
194: ok 12350
194: ok 12351
194: ok 12352
194: ok 12353
194: ok 12354
194: ok 12355
194: ok 12356
194: ok 12357
194: ok 12358
194: ok 12359
194: ok 12360
194: ok 12361
194: ok 12362
194: ok 12363
194: ok 12364
194: ok 12365
194: ok 12366
194: ok 12367
194: ok 12368
194: ok 12369
194: ok 12370
194: ok 12371
194: ok 12372
194: ok 12373
194: ok 12374
194: ok 12375
194: ok 12376
194: ok 12377
194: ok 12378
194: ok 12379
194: ok 12380
194: ok 12381
194: ok 12382
194: ok 12383
194: ok 12384
194: ok 12385
194: ok 12386
194: ok 12387
194: ok 12388
194: ok 12389
194: ok 12390
194: ok 12391
194: ok 12392
194: ok 12393
194: ok 12394
194: ok 12395
194: ok 12396
194: ok 12397
194: ok 12398
194: ok 12399
194: ok 12400
194: ok 12401
194: ok 12402
194: ok 12403
194: ok 12404
194: ok 12405
194: ok 12406
194: ok 12407
194: ok 12408
194: ok 12409
194: ok 12410
194: ok 12411
194: ok 12412
194: ok 12413
194: ok 12414
194: ok 12415
194: ok 12416
194: ok 12417
194: ok 12418
194: ok 12419
194: ok 12420
194: ok 12421
194: ok 12422
194: ok 12423
194: ok 12424
194: ok 12425
194: ok 12426
194: ok 12427
194: ok 12428
194: ok 12429
194: ok 12430
194: ok 12431
194: ok 12432
194: ok 12433
194: ok 12434
194: ok 12435
194: ok 12436
194: ok 12437
194: ok 12438
194: ok 12439
194: ok 12440
194: ok 12441
194: ok 12442
194: ok 12443
194: ok 12444
194: ok 12445
194: ok 12446
194: ok 12447
194: ok 12448
194: ok 12449
194: ok 12450
194: ok 12451
194: ok 12452
194: ok 12453
194: ok 12454
194: ok 12455
194: ok 12456
194: ok 12457
194: ok 12458
194: ok 12459
194: ok 12460
194: ok 12461
194: ok 12462
194: ok 12463
194: ok 12464
194: ok 12465
194: ok 12466
194: ok 12467
194: ok 12468
194: ok 12469
194: ok 12470
194: ok 12471
194: ok 12472
194: ok 12473
194: ok 12474
194: ok 12475
194: ok 12476
194: ok 12477
194: ok 12478
194: ok 12479
194: ok 12480
194: ok 12481
194: ok 12482
194: ok 12483
194: ok 12484
194: ok 12485
194: ok 12486
194: ok 12487
194: ok 12488
194: ok 12489
194: ok 12490
194: ok 12491
194: ok 12492
194: ok 12493
194: ok 12494
194: ok 12495
194: ok 12496
194: ok 12497
194: ok 12498
194: ok 12499
194: ok 12500
194: ok 12501
194: ok 12502
194: ok 12503
194: ok 12504
194: ok 12505
194: ok 12506
194: ok 12507
194: ok 12508
194: ok 12509
194: ok 12510
194: ok 12511
194: ok 12512
194: ok 12513
194: ok 12514
194: ok 12515
194: ok 12516
194: ok 12517
194: ok 12518
194: ok 12519
194: ok 12520
194: ok 12521
194: ok 12522
194: ok 12523
194: ok 12524
194: ok 12525
194: ok 12526
194: ok 12527
194: ok 12528
194: ok 12529
194: ok 12530
194: ok 12531
194: ok 12532
194: ok 12533
194: ok 12534
194: ok 12535
194: ok 12536
194: ok 12537
194: ok 12538
194: ok 12539
194: ok 12540
194: ok 12541
194: ok 12542
194: ok 12543
194: ok 12544
194: ok 12545
194: ok 12546
194: ok 12547
194: ok 12548
194: ok 12549
194: ok 12550
194: ok 12551
194: ok 12552
194: ok 12553
194: ok 12554
194: ok 12555
194: ok 12556
194: ok 12557
194: ok 12558
194: ok 12559
194: ok 12560
194: ok 12561
194: ok 12562
194: ok 12563
194: ok 12564
194: ok 12565
194: ok 12566
194: ok 12567
194: ok 12568
194: ok 12569
194: ok 12570
194: ok 12571
194: ok 12572
194: ok 12573
194: ok 12574
194: ok 12575
194: ok 12576
194: ok 12577
194: ok 12578
194: ok 12579
194: ok 12580
194: ok 12581
194: ok 12582
194: ok 12583
194: ok 12584
194: ok 12585
194: ok 12586
194: ok 12587
194: ok 12588
194: ok 12589
194: ok 12590
194: ok 12591
194: ok 12592
194: ok 12593
194: ok 12594
194: ok 12595
194: ok 12596
194: ok 12597
194: ok 12598
194: ok 12599
194: ok 12600
194: ok 12601
194: ok 12602
194: ok 12603
194: ok 12604
194: ok 12605
194: ok 12606
194: ok 12607
194: ok 12608
194: ok 12609
194: ok 12610
194: ok 12611
194: ok 12612
194: ok 12613
194: ok 12614
194: ok 12615
194: ok 12616
194: ok 12617
194: ok 12618
194: ok 12619
194: ok 12620
194: ok 12621
194: ok 12622
194: ok 12623
194: ok 12624
194: ok 12625
194: ok 12626
194: ok 12627
194: ok 12628
194: ok 12629
194: ok 12630
194: ok 12631
194: ok 12632
194: ok 12633
194: ok 12634
194: ok 12635
194: ok 12636
194: ok 12637
194: ok 12638
194: ok 12639
194: ok 12640
194: ok 12641
194: ok 12642
194: ok 12643
194: ok 12644
194: ok 12645
194: ok 12646
194: ok 12647
194: ok 12648
194: ok 12649
194: ok 12650
194: ok 12651
194: ok 12652
194: ok 12653
194: ok 12654
194: ok 12655
194: ok 12656
194: ok 12657
194: ok 12658
194: ok 12659
194: ok 12660
194: ok 12661
194: ok 12662
194: ok 12663
194: ok 12664
194: ok 12665
194: ok 12666
194: ok 12667
194: ok 12668
194: ok 12669
194: ok 12670
194: ok 12671
194: ok 12672
194: ok 12673
194: ok 12674
194: ok 12675
194: ok 12676
194: ok 12677
194: ok 12678
194: ok 12679
194: ok 12680
194: ok 12681
194: ok 12682
194: ok 12683
194: ok 12684
194: ok 12685
194: ok 12686
194: ok 12687
194: ok 12688
194: ok 12689
194: ok 12690
194: ok 12691
194: ok 12692
194: ok 12693
194: ok 12694
194: ok 12695
194: ok 12696
194: ok 12697
194: ok 12698
194: ok 12699
194: ok 12700
194: ok 12701
194: ok 12702
194: ok 12703
194: ok 12704
194: ok 12705
194: ok 12706
194: ok 12707
194: ok 12708
194: ok 12709
194: ok 12710
194: ok 12711
194: ok 12712
194: ok 12713
194: ok 12714
194: ok 12715
194: ok 12716
194: ok 12717
194: ok 12718
194: ok 12719
194: ok 12720
194: ok 12721
194: ok 12722
194: ok 12723
194: ok 12724
194: ok 12725
194: ok 12726
194: ok 12727
194: ok 12728
194: ok 12729
194: ok 12730
194: ok 12731
194: ok 12732
194: ok 12733
194: ok 12734
194: ok 12735
194: ok 12736
194: ok 12737
194: ok 12738
194: ok 12739
194: ok 12740
194: ok 12741
194: ok 12742
194: ok 12743
194: ok 12744
194: ok 12745
194: ok 12746
194: ok 12747
194: ok 12748
194: ok 12749
194: ok 12750
194: ok 12751
194: ok 12752
194: ok 12753
194: ok 12754
194: ok 12755
194: ok 12756
194: ok 12757
194: ok 12758
194: ok 12759
194: ok 12760
194: ok 12761
194: ok 12762
194: ok 12763
194: ok 12764
194: ok 12765
194: ok 12766
194: ok 12767
194: ok 12768
194: ok 12769
194: ok 12770
194: ok 12771
194: ok 12772
194: ok 12773
194: ok 12774
194: ok 12775
194: ok 12776
194: ok 12777
194: ok 12778
194: ok 12779
194: ok 12780
194: ok 12781
194: ok 12782
194: ok 12783
194: ok 12784
194: ok 12785
194: ok 12786
194: ok 12787
194: ok 12788
194: ok 12789
194: ok 12790
194: ok 12791
194: ok 12792
194: ok 12793
194: ok 12794
194: ok 12795
194: ok 12796
194: ok 12797
194: ok 12798
194: ok 12799
194: ok 12800
194: ok 12801
194: ok 12802
194: ok 12803
194: ok 12804
194: ok 12805
194: ok 12806
194: ok 12807
194: ok 12808
194: ok 12809
194: ok 12810
194: ok 12811
194: ok 12812
194: ok 12813
194: ok 12814
194: ok 12815
194: ok 12816
194: ok 12817
194: ok 12818
194: ok 12819
194: ok 12820
194: ok 12821
194: ok 12822
194: ok 12823
194: ok 12824
194: ok 12825
194: ok 12826
194: ok 12827
194: ok 12828
194: ok 12829
194: ok 12830
194: ok 12831
194: ok 12832
194: ok 12833
194: ok 12834
194: ok 12835
194: ok 12836
194: ok 12837
194: ok 12838
194: ok 12839
194: ok 12840
194: ok 12841
194: ok 12842
194: ok 12843
194: ok 12844
194: ok 12845
194: ok 12846
194: ok 12847
194: ok 12848
194: ok 12849
194: ok 12850
194: ok 12851
194: ok 12852
194: ok 12853
194: ok 12854
194: ok 12855
194: ok 12856
194: ok 12857
194: ok 12858
194: ok 12859
194: ok 12860
194: ok 12861
194: ok 12862
194: ok 12863
194: ok 12864
194: ok 12865
194: ok 12866
194: ok 12867
194: ok 12868
194: ok 12869
194: ok 12870
194: ok 12871
194: ok 12872
194: ok 12873
194: ok 12874
194: ok 12875
194: ok 12876
194: ok 12877
194: ok 12878
194: ok 12879
194: ok 12880
194: ok 12881
194: ok 12882
194: ok 12883
194: ok 12884
194: ok 12885
194: ok 12886
194: ok 12887
194: ok 12888
194: ok 12889
194: ok 12890
194: ok 12891
194: ok 12892
194: ok 12893
194: ok 12894
194: ok 12895
194: ok 12896
194: ok 12897
194: ok 12898
194: ok 12899
194: ok 12900
194: ok 12901
194: ok 12902
194: ok 12903
194: ok 12904
194: ok 12905
194: ok 12906
194: ok 12907
194: ok 12908
194: ok 12909
194: ok 12910
194: ok 12911
194: ok 12912
194: ok 12913
194: ok 12914
194: ok 12915
194: ok 12916
194: ok 12917
194: ok 12918
194: ok 12919
194: ok 12920
194: ok 12921
194: ok 12922
194: ok 12923
194: ok 12924
194: ok 12925
194: ok 12926
194: ok 12927
194: ok 12928
194: ok 12929
194: ok 12930
194: ok 12931
194: ok 12932
194: ok 12933
194: ok 12934
194: ok 12935
194: ok 12936
194: ok 12937
194: ok 12938
194: ok 12939
194: ok 12940
194: ok 12941
194: ok 12942
194: ok 12943
194: ok 12944
194: ok 12945
194: ok 12946
194: ok 12947
194: ok 12948
194: ok 12949
194: ok 12950
194: ok 12951
194: ok 12952
194: ok 12953
194: ok 12954
194: ok 12955
194: ok 12956
194: ok 12957
194: ok 12958
194: ok 12959
194: ok 12960
194: ok 12961
194: ok 12962
194: ok 12963
194: ok 12964
194: ok 12965
194: ok 12966
194: ok 12967
194: ok 12968
194: ok 12969
194: ok 12970
194: ok 12971
194: ok 12972
194: ok 12973
194: ok 12974
194: ok 12975
194: ok 12976
194: ok 12977
194: ok 12978
194: ok 12979
194: ok 12980
194: ok 12981
194: ok 12982
194: ok 12983
194: ok 12984
194: ok 12985
194: ok 12986
194: ok 12987
194: ok 12988
194: ok 12989
194: ok 12990
194: ok 12991
194: ok 12992
194: ok 12993
194: ok 12994
194: ok 12995
194: ok 12996
194: ok 12997
194: ok 12998
194: ok 12999
194: ok 13000
194: ok 13001
194: ok 13002
194: ok 13003
194: ok 13004
194: ok 13005
194: ok 13006
194: ok 13007
194: ok 13008
194: ok 13009
194: ok 13010
194: ok 13011
194: ok 13012
194: ok 13013
194: ok 13014
194: ok 13015
194: ok 13016
194: ok 13017
194: ok 13018
194: ok 13019
194: ok 13020
194: ok 13021
194: ok 13022
194: ok 13023
194: ok 13024
194: ok 13025
194: ok 13026
194: ok 13027
194: ok 13028
194: ok 13029
194: ok 13030
194: ok 13031
194: ok 13032
194: ok 13033
194: ok 13034
194: ok 13035
194: ok 13036
194: ok 13037
194: ok 13038
194: ok 13039
194: ok 13040
194: ok 13041
194: ok 13042
194: ok 13043
194: ok 13044
194: ok 13045
194: ok 13046
194: ok 13047
194: ok 13048
194: ok 13049
194: ok 13050
194: ok 13051
194: ok 13052
194: ok 13053
194: ok 13054
194: ok 13055
194: ok 13056
194: ok 13057
194: ok 13058
194: ok 13059
194: ok 13060
194: ok 13061
194: ok 13062
194: ok 13063
194: ok 13064
194: ok 13065
194: ok 13066
194: ok 13067
194: ok 13068
194: ok 13069
194: ok 13070
194: ok 13071
194: ok 13072
194: ok 13073
194: ok 13074
194: ok 13075
194: ok 13076
194: ok 13077
194: ok 13078
194: ok 13079
194: ok 13080
194: ok 13081
194: ok 13082
194: ok 13083
194: ok 13084
194: ok 13085
194: ok 13086
194: ok 13087
194: ok 13088
194: ok 13089
194: ok 13090
194: ok 13091
194: ok 13092
194: ok 13093
194: ok 13094
194: ok 13095
194: ok 13096
194: ok 13097
194: ok 13098
194: ok 13099
194: ok 13100
194: ok 13101
194: ok 13102
194: ok 13103
194: ok 13104
194: ok 13105
194: ok 13106
194: ok 13107
194: ok 13108
194: ok 13109
194: ok 13110
194: ok 13111
194: ok 13112
194: ok 13113
194: ok 13114
194: ok 13115
194: ok 13116
194: ok 13117
194: ok 13118
194: ok 13119
194: ok 13120
194: ok 13121
194: ok 13122
194: ok 13123
194: ok 13124
194: ok 13125
194: ok 13126
194: ok 13127
194: ok 13128
194: ok 13129
194: ok 13130
194: ok 13131
194: ok 13132
194: ok 13133
194: ok 13134
194: ok 13135
194: ok 13136
194: ok 13137
194: ok 13138
194: ok 13139
194: ok 13140
194: ok 13141
194: ok 13142
194: ok 13143
194: ok 13144
194: ok 13145
194: ok 13146
194: ok 13147
194: ok 13148
194: ok 13149
194: ok 13150
194: ok 13151
194: ok 13152
194: ok 13153
194: ok 13154
194: ok 13155
194: ok 13156
194: ok 13157
194: ok 13158
194: ok 13159
194: ok 13160
194: ok 13161
194: ok 13162
194: ok 13163
194: ok 13164
194: ok 13165
194: ok 13166
194: ok 13167
194: ok 13168
194: ok 13169
194: ok 13170
194: ok 13171
194: ok 13172
194: ok 13173
194: ok 13174
194: ok 13175
194: ok 13176
194: ok 13177
194: ok 13178
194: ok 13179
194: ok 13180
194: ok 13181
194: ok 13182
194: ok 13183
194: ok 13184
194: ok 13185
194: ok 13186
194: ok 13187
194: ok 13188
194: ok 13189
194: ok 13190
194: ok 13191
194: ok 13192
194: ok 13193
194: ok 13194
194: ok 13195
194: ok 13196
194: ok 13197
194: ok 13198
194: ok 13199
194: ok 13200
194: ok 13201
194: ok 13202
194: ok 13203
194: ok 13204
194: ok 13205
194: ok 13206
194: ok 13207
194: ok 13208
194: ok 13209
194: ok 13210
194: ok 13211
194: ok 13212
194: ok 13213
194: ok 13214
194: ok 13215
194: ok 13216
194: ok 13217
194: ok 13218
194: ok 13219
194: ok 13220
194: ok 13221
194: ok 13222
194: ok 13223
194: ok 13224
194: ok 13225
194: ok 13226
194: ok 13227
194: ok 13228
194: ok 13229
194: ok 13230
194: ok 13231
194: ok 13232
194: ok 13233
194: ok 13234
194: ok 13235
194: ok 13236
194: ok 13237
194: ok 13238
194: ok 13239
194: ok 13240
194: ok 13241
194: ok 13242
194: ok 13243
194: ok 13244
194: ok 13245
194: ok 13246
194: ok 13247
194: ok 13248
194: ok 13249
194: ok 13250
194: ok 13251
194: ok 13252
194: ok 13253
194: ok 13254
194: ok 13255
194: ok 13256
194: ok 13257
194: ok 13258
194: ok 13259
194: ok 13260
194: ok 13261
194: ok 13262
194: ok 13263
194: ok 13264
194: ok 13265
194: ok 13266
194: ok 13267
194: ok 13268
194: ok 13269
194: ok 13270
194: ok 13271
194: ok 13272
194: ok 13273
194: ok 13274
194: ok 13275
194: ok 13276
194: ok 13277
194: ok 13278
194: ok 13279
194: ok 13280
194: ok 13281
194: ok 13282
194: ok 13283
194: ok 13284
194: ok 13285
194: ok 13286
194: ok 13287
194: ok 13288
194: ok 13289
194: ok 13290
194: ok 13291
194: ok 13292
194: ok 13293
194: ok 13294
194: ok 13295
194: ok 13296
194: ok 13297
194: ok 13298
194: ok 13299
194: ok 13300
194: ok 13301
194: ok 13302
194: ok 13303
194: ok 13304
194: ok 13305
194: ok 13306
194: ok 13307
194: ok 13308
194: ok 13309
194: ok 13310
194: ok 13311
194: ok 13312
194: ok 13313
194: ok 13314
194: ok 13315
194: ok 13316
194: ok 13317
194: ok 13318
194: ok 13319
194: ok 13320
194: ok 13321
194: ok 13322
194: ok 13323
194: ok 13324
194: ok 13325
194: ok 13326
194: ok 13327
194: ok 13328
194: ok 13329
194: ok 13330
194: ok 13331
194: ok 13332
194: ok 13333
194: ok 13334
194: ok 13335
194: ok 13336
194: ok 13337
194: ok 13338
194: ok 13339
194: ok 13340
194: ok 13341
194: ok 13342
194: ok 13343
194: ok 13344
194: ok 13345
194: ok 13346
194: ok 13347
194: ok 13348
194: ok 13349
194: ok 13350
194: ok 13351
194: ok 13352
194: ok 13353
194: ok 13354
194: ok 13355
194: ok 13356
194: ok 13357
194: ok 13358
194: ok 13359
194: ok 13360
194: ok 13361
194: ok 13362
194: ok 13363
194: ok 13364
194: ok 13365
194: ok 13366
194: ok 13367
194: ok 13368
194: ok 13369
194: ok 13370
194: ok 13371
194: ok 13372
194: ok 13373
194: ok 13374
194: ok 13375
194: ok 13376
194: ok 13377
194: ok 13378
194: ok 13379
194: ok 13380
194: ok 13381
194: ok 13382
194: ok 13383
194: ok 13384
194: ok 13385
194: ok 13386
194: ok 13387
194: ok 13388
194: ok 13389
194: ok 13390
194: ok 13391
194: ok 13392
194: ok 13393
194: ok 13394
194: ok 13395
194: ok 13396
194: ok 13397
194: ok 13398
194: ok 13399
194: ok 13400
194: ok 13401
194: ok 13402
194: ok 13403
194: ok 13404
194: ok 13405
194: ok 13406
194: ok 13407
194: ok 13408
194: ok 13409
194: ok 13410
194: ok 13411
194: ok 13412
194: ok 13413
194: ok 13414
194: ok 13415
194: ok 13416
194: ok 13417
194: ok 13418
194: ok 13419
194: ok 13420
194: ok 13421
194: ok 13422
194: ok 13423
194: ok 13424
194: ok 13425
194: ok 13426
194: ok 13427
194: ok 13428
194: ok 13429
194: ok 13430
194: ok 13431
194: ok 13432
194: ok 13433
194: ok 13434
194: ok 13435
194: ok 13436
194: ok 13437
194: ok 13438
194: ok 13439
194: ok 13440
194: ok 13441
194: ok 13442
194: ok 13443
194: ok 13444
194: ok 13445
194: ok 13446
194: ok 13447
194: ok 13448
194: ok 13449
194: ok 13450
194: ok 13451
194: ok 13452
194: ok 13453
194: ok 13454
194: ok 13455
194: ok 13456
194: ok 13457
194: ok 13458
194: ok 13459
194: ok 13460
194: ok 13461
194: ok 13462
194: ok 13463
194: ok 13464
194: ok 13465
194: ok 13466
194: ok 13467
194: ok 13468
194: ok 13469
194: ok 13470
194: ok 13471
194: ok 13472
194: ok 13473
194: ok 13474
194: ok 13475
194: ok 13476
194: ok 13477
194: ok 13478
194: ok 13479
194: ok 13480
194: ok 13481
194: ok 13482
194: ok 13483
194: ok 13484
194: ok 13485
194: ok 13486
194: ok 13487
194: ok 13488
194: ok 13489
194: ok 13490
194: ok 13491
194: ok 13492
194: ok 13493
194: ok 13494
194: ok 13495
194: ok 13496
194: ok 13497
194: ok 13498
194: ok 13499
194: ok 13500
194: ok 13501
194: ok 13502
194: ok 13503
194: ok 13504
194: ok 13505
194: ok 13506
194: ok 13507
194: ok 13508
194: ok 13509
194: ok 13510
194: ok 13511
194: ok 13512
194: ok 13513
194: ok 13514
194: ok 13515
194: ok 13516
194: ok 13517
194: ok 13518
194: ok 13519
194: ok 13520
194: ok 13521
194: ok 13522
194: ok 13523
194: ok 13524
194: ok 13525
194: ok 13526
194: ok 13527
194: ok 13528
194: ok 13529
194: ok 13530
194: ok 13531
194: ok 13532
194: ok 13533
194: ok 13534
194: ok 13535
194: ok 13536
194: ok 13537
194: ok 13538
194: ok 13539
194: ok 13540
194: ok 13541
194: ok 13542
194: ok 13543
194: ok 13544
194: ok 13545
194: ok 13546
194: ok 13547
194: ok 13548
194: ok 13549
194: ok 13550
194: ok 13551
194: ok 13552
194: ok 13553
194: ok 13554
194: ok 13555
194: ok 13556
194: ok 13557
194: ok 13558
194: ok 13559
194: ok 13560
194: ok 13561
194: ok 13562
194: ok 13563
194: ok 13564
194: ok 13565
194: ok 13566
194: ok 13567
194: ok 13568
194: ok 13569
194: ok 13570
194: ok 13571
194: ok 13572
194: ok 13573
194: ok 13574
194: ok 13575
194: ok 13576
194: ok 13577
194: ok 13578
194: ok 13579
194: ok 13580
194: ok 13581
194: ok 13582
194: ok 13583
194: ok 13584
194: ok 13585
194: ok 13586
194: ok 13587
194: ok 13588
194: ok 13589
194: ok 13590
194: ok 13591
194: ok 13592
194: ok 13593
194: ok 13594
194: ok 13595
194: ok 13596
194: ok 13597
194: ok 13598
194: ok 13599
194: ok 13600
194: ok 13601
194: ok 13602
194: ok 13603
194: ok 13604
194: ok 13605
194: ok 13606
194: ok 13607
194: ok 13608
194: ok 13609
194: ok 13610
194: ok 13611
194: ok 13612
194: ok 13613
194: ok 13614
194: ok 13615
194: ok 13616
194: ok 13617
194: ok 13618
194: ok 13619
194: ok 13620
194: ok 13621
194: ok 13622
194: ok 13623
194: ok 13624
194: ok 13625
194: ok 13626
194: ok 13627
194: ok 13628
194: ok 13629
194: ok 13630
194: ok 13631
194: ok 13632
194: ok 13633
194: ok 13634
194: ok 13635
194: ok 13636
194: ok 13637
194: ok 13638
194: ok 13639
194: ok 13640
194: ok 13641
194: ok 13642
194: ok 13643
194: ok 13644
194: ok 13645
194: ok 13646
194: ok 13647
194: ok 13648
194: ok 13649
194: ok 13650
194: ok 13651
194: ok 13652
194: ok 13653
194: ok 13654
194: ok 13655
194: ok 13656
194: ok 13657
194: ok 13658
194: ok 13659
194: ok 13660
194: ok 13661
194: ok 13662
194: ok 13663
194: ok 13664
194: ok 13665
194: ok 13666
194: ok 13667
194: ok 13668
194: ok 13669
194: ok 13670
194: ok 13671
194: ok 13672
194: ok 13673
194: ok 13674
194: ok 13675
194: ok 13676
194: ok 13677
194: ok 13678
194: ok 13679
194: ok 13680
194: ok 13681
194: ok 13682
194: ok 13683
194: ok 13684
194: ok 13685
194: ok 13686
194: ok 13687
194: ok 13688
194: ok 13689
194: ok 13690
194: ok 13691
194: ok 13692
194: ok 13693
194: ok 13694
194: ok 13695
194: ok 13696
194: ok 13697
194: ok 13698
194: ok 13699
194: ok 13700
194: ok 13701
194: ok 13702
194: ok 13703
194: ok 13704
194: ok 13705
194: ok 13706
194: ok 13707
194: ok 13708
194: ok 13709
194: ok 13710
194: ok 13711
194: ok 13712
194: ok 13713
194: ok 13714
194: ok 13715
194: ok 13716
194: ok 13717
194: ok 13718
194: ok 13719
194: ok 13720
194: ok 13721
194: ok 13722
194: ok 13723
194: ok 13724
194: ok 13725
194: ok 13726
194: ok 13727
194: ok 13728
194: ok 13729
194: ok 13730
194: ok 13731
194: ok 13732
194: ok 13733
194: ok 13734
194: ok 13735
194: ok 13736
194: ok 13737
194: ok 13738
194: ok 13739
194: ok 13740
194: ok 13741
194: ok 13742
194: ok 13743
194: ok 13744
194: ok 13745
194: ok 13746
194: ok 13747
194: ok 13748
194: ok 13749
194: ok 13750
194: ok 13751
194: ok 13752
194: ok 13753
194: ok 13754
194: ok 13755
194: ok 13756
194: ok 13757
194: ok 13758
194: ok 13759
194: ok 13760
194: ok 13761
194: ok 13762
194: ok 13763
194: ok 13764
194: ok 13765
194: ok 13766
194: ok 13767
194: ok 13768
194: ok 13769
194: ok 13770
194: ok 13771
194: ok 13772
194: ok 13773
194: ok 13774
194: ok 13775
194: ok 13776
194: ok 13777
194: ok 13778
194: ok 13779
194: ok 13780
194: ok 13781
194: ok 13782
194: ok 13783
194: ok 13784
194: ok 13785
194: ok 13786
194: ok 13787
194: ok 13788
194: ok 13789
194: ok 13790
194: ok 13791
194: ok 13792
194: ok 13793
194: ok 13794
194: ok 13795
194: ok 13796
194: ok 13797
194: ok 13798
194: ok 13799
194: ok 13800
194: ok 13801
194: ok 13802
194: ok 13803
194: ok 13804
194: ok 13805
194: ok 13806
194: ok 13807
194: ok 13808
194: ok 13809
194: ok 13810
194: ok 13811
194: ok 13812
194: ok 13813
194: ok 13814
194: ok 13815
194: ok 13816
194: ok 13817
194: ok 13818
194: ok 13819
194: ok 13820
194: ok 13821
194: ok 13822
194: ok 13823
194: ok 13824
194: ok 13825
194: ok 13826
194: ok 13827
194: ok 13828
194: ok 13829
194: ok 13830
194: ok 13831
194: ok 13832
194: ok 13833
194: ok 13834
194: ok 13835
194: ok 13836
194: ok 13837
194: ok 13838
194: ok 13839
194: ok 13840
194: ok 13841
194: ok 13842
194: ok 13843
194: ok 13844
194: ok 13845
194: ok 13846
194: ok 13847
194: ok 13848
194: ok 13849
194: ok 13850
194: ok 13851
194: ok 13852
194: ok 13853
194: ok 13854
194: ok 13855
194: ok 13856
194: ok 13857
194: ok 13858
194: ok 13859
194: ok 13860
194: ok 13861
194: ok 13862
194: ok 13863
194: ok 13864
194: ok 13865
194: ok 13866
194: ok 13867
194: ok 13868
194: ok 13869
194: ok 13870
194: ok 13871
194: ok 13872
194: ok 13873
194: ok 13874
194: ok 13875
194: ok 13876
194: ok 13877
194: ok 13878
194: ok 13879
194: ok 13880
194: ok 13881
194: ok 13882
194: ok 13883
194: ok 13884
194: ok 13885
194: ok 13886
194: ok 13887
194: ok 13888
194: ok 13889
194: ok 13890
194: ok 13891
194: ok 13892
194: ok 13893
194: ok 13894
194: ok 13895
194: ok 13896
194: ok 13897
194: ok 13898
194: ok 13899
194: ok 13900
194: ok 13901
194: ok 13902
194: ok 13903
194: ok 13904
194: ok 13905
194: ok 13906
194: ok 13907
194: ok 13908
194: ok 13909
194: ok 13910
194: ok 13911
194: ok 13912
194: ok 13913
194: ok 13914
194: ok 13915
194: ok 13916
194: ok 13917
194: ok 13918
194: ok 13919
194: ok 13920
194: ok 13921
194: ok 13922
194: ok 13923
194: ok 13924
194: ok 13925
194: ok 13926
194: ok 13927
194: ok 13928
194: ok 13929
194: ok 13930
194: ok 13931
194: ok 13932
194: ok 13933
194: ok 13934
194: ok 13935
194: ok 13936
194: ok 13937
194: ok 13938
194: ok 13939
194: ok 13940
194: ok 13941
194: ok 13942
194: ok 13943
194: ok 13944
194: ok 13945
194: ok 13946
194: ok 13947
194: ok 13948
194: ok 13949
194: ok 13950
194: ok 13951
194: ok 13952
194: ok 13953
194: ok 13954
194: ok 13955
194: ok 13956
194: ok 13957
194: ok 13958
194: ok 13959
194: ok 13960
194: ok 13961
194: ok 13962
194: ok 13963
194: ok 13964
194: ok 13965
194: ok 13966
194: ok 13967
194: ok 13968
194: ok 13969
194: ok 13970
194: ok 13971
194: ok 13972
194: ok 13973
194: ok 13974
194: ok 13975
194: ok 13976
194: ok 13977
194: ok 13978
194: ok 13979
194: ok 13980
194: ok 13981
194: ok 13982
194: ok 13983
194: ok 13984
194: ok 13985
194: ok 13986
194: ok 13987
194: ok 13988
194: ok 13989
194: ok 13990
194: ok 13991
194: ok 13992
194: ok 13993
194: ok 13994
194: ok 13995
194: ok 13996
194: ok 13997
194: ok 13998
194: ok 13999
194: ok 14000
194: ok 14001
194: ok 14002
194: ok 14003
194: ok 14004
194: ok 14005
194: ok 14006
194: ok 14007
194: ok 14008
194: ok 14009
194: ok 14010
194: ok 14011
194: ok 14012
194: ok 14013
194: ok 14014
194: ok 14015
194: ok 14016
194: ok 14017
194: ok 14018
194: ok 14019
194: ok 14020
194: ok 14021
194: ok 14022
194: ok 14023
194: ok 14024
194: ok 14025
194: ok 14026
194: ok 14027
194: ok 14028
194: ok 14029
194: ok 14030
194: ok 14031
194: ok 14032
194: ok 14033
194: ok 14034
194: ok 14035
194: ok 14036
194: ok 14037
194: ok 14038
194: ok 14039
194: ok 14040
194: ok 14041
194: ok 14042
194: ok 14043
194: ok 14044
194: ok 14045
194: ok 14046
194: ok 14047
194: ok 14048
194: ok 14049
194: ok 14050
194: ok 14051
194: ok 14052
194: ok 14053
194: ok 14054
194: ok 14055
194: ok 14056
194: ok 14057
194: ok 14058
194: ok 14059
194: ok 14060
194: ok 14061
194: ok 14062
194: ok 14063
194: ok 14064
194: ok 14065
194: ok 14066
194: ok 14067
194: ok 14068
194: ok 14069
194: ok 14070
194: ok 14071
194: ok 14072
194: ok 14073
194: ok 14074
194: ok 14075
194: ok 14076
194: ok 14077
194: ok 14078
194: ok 14079
194: ok 14080
194: ok 14081
194: ok 14082
194: ok 14083
194: ok 14084
194: ok 14085
194: ok 14086
194: ok 14087
194: ok 14088
194: ok 14089
194: ok 14090
194: ok 14091
194: ok 14092
194: ok 14093
194: ok 14094
194: ok 14095
194: ok 14096
194: ok 14097
194: ok 14098
194: ok 14099
194: ok 14100
194: ok 14101
194: ok 14102
194: ok 14103
194: ok 14104
194: ok 14105
194: ok 14106
194: ok 14107
194: ok 14108
194: ok 14109
194: ok 14110
194: ok 14111
194: ok 14112
194: ok 14113
194: ok 14114
194: ok 14115
194: ok 14116
194: ok 14117
194: ok 14118
194: ok 14119
194: ok 14120
194: ok 14121
194: ok 14122
194: ok 14123
194: ok 14124
194: ok 14125
194: ok 14126
194: ok 14127
194: ok 14128
194: ok 14129
194: ok 14130
194: ok 14131
194: ok 14132
194: ok 14133
194: ok 14134
194: ok 14135
194: ok 14136
194: ok 14137
194: ok 14138
194: ok 14139
194: ok 14140
194: ok 14141
194: ok 14142
194: ok 14143
194: ok 14144
194: ok 14145
194: ok 14146
194: ok 14147
194: ok 14148
194: ok 14149
194: ok 14150
194: ok 14151
194: ok 14152
194: ok 14153
194: ok 14154
194: ok 14155
194: ok 14156
194: ok 14157
194: ok 14158
194: ok 14159
194: ok 14160
194: ok 14161
194: ok 14162
194: ok 14163
194: ok 14164
194: ok 14165
194: ok 14166
194: ok 14167
194: ok 14168
194: ok 14169
194: ok 14170
194: ok 14171
194: ok 14172
194: ok 14173
194: ok 14174
194: ok 14175
194: ok 14176
194: ok 14177
194: ok 14178
194: ok 14179
194: ok 14180
194: ok 14181
194: ok 14182
194: ok 14183
194: ok 14184
194: ok 14185
194: ok 14186
194: ok 14187
194: ok 14188
194: ok 14189
194: ok 14190
194: ok 14191
194: ok 14192
194: ok 14193
194: ok 14194
194: ok 14195
194: ok 14196
194: ok 14197
194: ok 14198
194: ok 14199
194: ok 14200
194: ok 14201
194: ok 14202
194: ok 14203
194: ok 14204
194: ok 14205
194: ok 14206
194: ok 14207
194: ok 14208
194: ok 14209
194: ok 14210
194: ok 14211
194: ok 14212
194: ok 14213
194: ok 14214
194: ok 14215
194: ok 14216
194: ok 14217
194: ok 14218
194: ok 14219
194: ok 14220
194: ok 14221
194: ok 14222
194: ok 14223
194: ok 14224
194: ok 14225
194: ok 14226
194: ok 14227
194: ok 14228
194: ok 14229
194: ok 14230
194: ok 14231
194: ok 14232
194: ok 14233
194: ok 14234
194: ok 14235
194: ok 14236
194: ok 14237
194: ok 14238
194: ok 14239
194: ok 14240
194: ok 14241
194: ok 14242
194: ok 14243
194: ok 14244
194: ok 14245
194: ok 14246
194: ok 14247
194: ok 14248
194: ok 14249
194: ok 14250
194: ok 14251
194: ok 14252
194: ok 14253
194: ok 14254
194: ok 14255
194: ok 14256
194: ok 14257
194: ok 14258
194: ok 14259
194: ok 14260
194: ok 14261
194: ok 14262
194: ok 14263
194: ok 14264
194: ok 14265
194: ok 14266
194: ok 14267
194: ok 14268
194: ok 14269
194: ok 14270
194: ok 14271
194: ok 14272
194: ok 14273
194: ok 14274
194: ok 14275
194: ok 14276
194: ok 14277
194: ok 14278
194: ok 14279
194: ok 14280
194: ok 14281
194: ok 14282
194: ok 14283
194: ok 14284
194: ok 14285
194: ok 14286
194: ok 14287
194: ok 14288
194: ok 14289
194: ok 14290
194: ok 14291
194: ok 14292
194: ok 14293
194: ok 14294
194: ok 14295
194: ok 14296
194: ok 14297
194: ok 14298
194: ok 14299
194: ok 14300
194: ok 14301
194: ok 14302
194: ok 14303
194: ok 14304
194: ok 14305
194: ok 14306
194: ok 14307
194: ok 14308
194: ok 14309
194: ok 14310
194: ok 14311
194: ok 14312
194: ok 14313
194: ok 14314
194: ok 14315
194: ok 14316
194: ok 14317
194: ok 14318
194: ok 14319
194: ok 14320
194: ok 14321
194: ok 14322
194: ok 14323
194: ok 14324
194: ok 14325
194: ok 14326
194: ok 14327
194: ok 14328
194: ok 14329
194: ok 14330
194: ok 14331
194: ok 14332
194: ok 14333
194: ok 14334
194: ok 14335
194: ok 14336
194: ok 14337
194: ok 14338
194: ok 14339
194: ok 14340
194: ok 14341
194: ok 14342
194: ok 14343
194: ok 14344
194: ok 14345
194: ok 14346
194: ok 14347
194: ok 14348
194: ok 14349
194: ok 14350
194: ok 14351
194: ok 14352
194: ok 14353
194: ok 14354
194: ok 14355
194: ok 14356
194: ok 14357
194: ok 14358
194: ok 14359
194: ok 14360
194: ok 14361
194: ok 14362
194: ok 14363
194: ok 14364
194: ok 14365
194: ok 14366
194: ok 14367
194: ok 14368
194: ok 14369
194: ok 14370
194: ok 14371
194: ok 14372
194: ok 14373
194: ok 14374
194: ok 14375
194: ok 14376
194: ok 14377
194: ok 14378
194: ok 14379
194: ok 14380
194: ok 14381
194: ok 14382
194: ok 14383
194: ok 14384
194: ok 14385
194: ok 14386
194: ok 14387
194: ok 14388
194: ok 14389
194: ok 14390
194: ok 14391
194: ok 14392
194: ok 14393
194: ok 14394
194: ok 14395
194: ok 14396
194: ok 14397
194: ok 14398
194: ok 14399
194: ok 14400
194: ok 14401
194: ok 14402
194: ok 14403
194: ok 14404
194: ok 14405
194: ok 14406
194: ok 14407
194: ok 14408
194: ok 14409
194: ok 14410
194: ok 14411
194: ok 14412
194: ok 14413
194: ok 14414
194: ok 14415
194: ok 14416
194: ok 14417
194: ok 14418
194: ok 14419
194: ok 14420
194: ok 14421
194: ok 14422
194: ok 14423
194: ok 14424
194: ok 14425
194: ok 14426
194: ok 14427
194: ok 14428
194: ok 14429
194: ok 14430
194: ok 14431
194: ok 14432
194: ok 14433
194: ok 14434
194: ok 14435
194: ok 14436
194: ok 14437
194: ok 14438
194: ok 14439
194: ok 14440
194: ok 14441
194: ok 14442
194: ok 14443
194: ok 14444
194: ok 14445
194: ok 14446
194: ok 14447
194: ok 14448
194: ok 14449
194: ok 14450
194: ok 14451
194: ok 14452
194: ok 14453
194: ok 14454
194: ok 14455
194: ok 14456
194: ok 14457
194: ok 14458
194: ok 14459
194: ok 14460
194: ok 14461
194: ok 14462
194: ok 14463
194: ok 14464
194: ok 14465
194: ok 14466
194: ok 14467
194: ok 14468
194: ok 14469
194: ok 14470
194: ok 14471
194: ok 14472
194: ok 14473
194: ok 14474
194: ok 14475
194: ok 14476
194: ok 14477
194: ok 14478
194: ok 14479
194: ok 14480
194: ok 14481
194: ok 14482
194: ok 14483
194: ok 14484
194: ok 14485
194: ok 14486
194: ok 14487
194: ok 14488
194: ok 14489
194: ok 14490
194: ok 14491
194: ok 14492
194: ok 14493
194: ok 14494
194: ok 14495
194: ok 14496
194: ok 14497
194: ok 14498
194: ok 14499
194: ok 14500
194: ok 14501
194: ok 14502
194: ok 14503
194: ok 14504
194: ok 14505
194: ok 14506
194: ok 14507
194: ok 14508
194: ok 14509
194: ok 14510
194: ok 14511
194: ok 14512
194: ok 14513
194: ok 14514
194: ok 14515
194: ok 14516
194: ok 14517
194: ok 14518
194: ok 14519
194: ok 14520
194: ok 14521
194: ok 14522
194: ok 14523
194: ok 14524
194: ok 14525
194: ok 14526
194: ok 14527
194: ok 14528
194: ok 14529
194: ok 14530
194: ok 14531
194: ok 14532
194: ok 14533
194: ok 14534
194: ok 14535
194: ok 14536
194: ok 14537
194: ok 14538
194: ok 14539
194: ok 14540
194: ok 14541
194: ok 14542
194: ok 14543
194: ok 14544
194: ok 14545
194: ok 14546
194: ok 14547
194: ok 14548
194: ok 14549
194: ok 14550
194: ok 14551
194: ok 14552
194: ok 14553
194: ok 14554
194: ok 14555
194: ok 14556
194: ok 14557
194: ok 14558
194: ok 14559
194: ok 14560
194: ok 14561
194: ok 14562
194: ok 14563
194: ok 14564
194: ok 14565
194: ok 14566
194: ok 14567
194: ok 14568
194: ok 14569
194: ok 14570
194: ok 14571
194: ok 14572
194: ok 14573
194: ok 14574
194: ok 14575
194: ok 14576
194: ok 14577
194: ok 14578
194: ok 14579
194: ok 14580
194: ok 14581
194: ok 14582
194: ok 14583
194: ok 14584
194: ok 14585
194: ok 14586
194: ok 14587
194: ok 14588
194: ok 14589
194: ok 14590
194: ok 14591
194: ok 14592
194: ok 14593
194: ok 14594
194: ok 14595
194: ok 14596
194: ok 14597
194: ok 14598
194: ok 14599
194: ok 14600
194: ok 14601
194: ok 14602
194: ok 14603
194: ok 14604
194: ok 14605
194: ok 14606
194: ok 14607
194: ok 14608
194: ok 14609
194: ok 14610
194: ok 14611
194: ok 14612
194: ok 14613
194: ok 14614
194: ok 14615
194: ok 14616
194: ok 14617
194: ok 14618
194: ok 14619
194: ok 14620
194: ok 14621
194: ok 14622
194: ok 14623
194: ok 14624
194: ok 14625
194: ok 14626
194: ok 14627
194: ok 14628
194: ok 14629
194: ok 14630
194: ok 14631
194: ok 14632
194: ok 14633
194: ok 14634
194: ok 14635
194: ok 14636
194: ok 14637
194: ok 14638
194: ok 14639
194: ok 14640
194: ok 14641
194: ok 14642
194: ok 14643
194: ok 14644
194: ok 14645
194: ok 14646
194: ok 14647
194: ok 14648
194: ok 14649
194: ok 14650
194: ok 14651
194: ok 14652
194: ok 14653
194: ok 14654
194: ok 14655
194: ok 14656
194: ok 14657
194: ok 14658
194: ok 14659
194: ok 14660
194: ok 14661
194: ok 14662
194: ok 14663
194: ok 14664
194: ok 14665
194: ok 14666
194: ok 14667
194: ok 14668
194: ok 14669
194: ok 14670
194: ok 14671
194: ok 14672
194: ok 14673
194: ok 14674
194: ok 14675
194: ok 14676
194: ok 14677
194: ok 14678
194: ok 14679
194: ok 14680
194: ok 14681
194: ok 14682
194: ok 14683
194: ok 14684
194: ok 14685
194: ok 14686
194: ok 14687
194: ok 14688
194: ok 14689
194: ok 14690
194: ok 14691
194: ok 14692
194: ok 14693
194: ok 14694
194: ok 14695
194: ok 14696
194: ok 14697
194: ok 14698
194: ok 14699
194: ok 14700
194: ok 14701
194: ok 14702
194: ok 14703
194: ok 14704
194: ok 14705
194: ok 14706
194: ok 14707
194: ok 14708
194: ok 14709
194: ok 14710
194: ok 14711
194: ok 14712
194: ok 14713
194: ok 14714
194: ok 14715
194: ok 14716
194: ok 14717
194: ok 14718
194: ok 14719
194: ok 14720
194: ok 14721
194: ok 14722
194: ok 14723
194: ok 14724
194: ok 14725
194: ok 14726
194: ok 14727
194: ok 14728
194: ok 14729
194: ok 14730
194: ok 14731
194: ok 14732
194: ok 14733
194: ok 14734
194: ok 14735
194: ok 14736
194: ok 14737
194: ok 14738
194: ok 14739
194: ok 14740
194: ok 14741
194: ok 14742
194: ok 14743
194: ok 14744
194: ok 14745
194: ok 14746
194: ok 14747
194: ok 14748
194: ok 14749
194: ok 14750
194: ok 14751
194: ok 14752
194: ok 14753
194: ok 14754
194: ok 14755
194: ok 14756
194: ok 14757
194: ok 14758
194: ok 14759
194: ok 14760
194: ok 14761
194: ok 14762
194: ok 14763
194: ok 14764
194: ok 14765
194: ok 14766
194: ok 14767
194: ok 14768
194: ok 14769
194: ok 14770
194: ok 14771
194: ok 14772
194: ok 14773
194: ok 14774
194: ok 14775
194: ok 14776
194: ok 14777
194: ok 14778
194: ok 14779
194: ok 14780
194: ok 14781
194: ok 14782
194: ok 14783
194: ok 14784
194: ok 14785
194: ok 14786
194: ok 14787
194: ok 14788
194: ok 14789
194: ok 14790
194: ok 14791
194: ok 14792
194: ok 14793
194: ok 14794
194: ok 14795
194: ok 14796
194: ok 14797
194: ok 14798
194: ok 14799
194: ok 14800
194: ok 14801
194: ok 14802
194: ok 14803
194: ok 14804
194: ok 14805
194: ok 14806
194: ok 14807
194: ok 14808
194: ok 14809
194: ok 14810
194: ok 14811
194: ok 14812
194: ok 14813
194: ok 14814
194: ok 14815
194: ok 14816
194: ok 14817
194: ok 14818
194: ok 14819
194: ok 14820
194: ok 14821
194: ok 14822
194: ok 14823
194: ok 14824
194: ok 14825
194: ok 14826
194: ok 14827
194: ok 14828
194: ok 14829
194: ok 14830
194: ok 14831
194: ok 14832
194: ok 14833
194: ok 14834
194: ok 14835
194: ok 14836
194: ok 14837
194: ok 14838
194: ok 14839
194: ok 14840
194: ok 14841
194: ok 14842
194: ok 14843
194: ok 14844
194: ok 14845
194: ok 14846
194: ok 14847
194: ok 14848
194: ok 14849
194: ok 14850
194: ok 14851
194: ok 14852
194: ok 14853
194: ok 14854
194: ok 14855
194: ok 14856
194: ok 14857
194: ok 14858
194: ok 14859
194: ok 14860
194: ok 14861
194: ok 14862
194: ok 14863
194: ok 14864
194: ok 14865
194: ok 14866
194: ok 14867
194: ok 14868
194: ok 14869
194: ok 14870
194: ok 14871
194: ok 14872
194: ok 14873
194: ok 14874
194: ok 14875
194: ok 14876
194: ok 14877
194: ok 14878
194: ok 14879
194: ok 14880
194: ok 14881
194: ok 14882
194: ok 14883
194: ok 14884
194: ok 14885
194: ok 14886
194: ok 14887
194: ok 14888
194: ok 14889
194: ok 14890
194: ok 14891
194: ok 14892
194: ok 14893
194: ok 14894
194: ok 14895
194: ok 14896
194: ok 14897
194: ok 14898
194: ok 14899
194: ok 14900
194: ok 14901
194: ok 14902
194: ok 14903
194: ok 14904
194: ok 14905
194: ok 14906
194: ok 14907
194: ok 14908
194: ok 14909
194: ok 14910
194: ok 14911
194: ok 14912
194: ok 14913
194: ok 14914
194: ok 14915
194: ok 14916
194: ok 14917
194: ok 14918
194: ok 14919
194: ok 14920
194: ok 14921
194: ok 14922
194: ok 14923
194: ok 14924
194: ok 14925
194: ok 14926
194: ok 14927
194: ok 14928
194: ok 14929
194: ok 14930
194: ok 14931
194: ok 14932
194: ok 14933
194: ok 14934
194: ok 14935
194: ok 14936
194: ok 14937
194: ok 14938
194: ok 14939
194: ok 14940
194: ok 14941
194: ok 14942
194: ok 14943
194: ok 14944
194: ok 14945
194: ok 14946
194: ok 14947
194: ok 14948
194: ok 14949
194: ok 14950
194: ok 14951
194: ok 14952
194: ok 14953
194: ok 14954
194: ok 14955
194: ok 14956
194: ok 14957
194: ok 14958
194: ok 14959
194: ok 14960
194: ok 14961
194: ok 14962
194: ok 14963
194: ok 14964
194: ok 14965
194: ok 14966
194: ok 14967
194: ok 14968
194: ok 14969
194: ok 14970
194: ok 14971
194: ok 14972
194: ok 14973
194: ok 14974
194: ok 14975
194: ok 14976
194: ok 14977
194: ok 14978
194: ok 14979
194: ok 14980
194: ok 14981
194: ok 14982
194: ok 14983
194: ok 14984
194: ok 14985
194: ok 14986
194: ok 14987
194: ok 14988
194: ok 14989
194: ok 14990
194: ok 14991
194: ok 14992
194: ok 14993
194: ok 14994
194: ok 14995
194: ok 14996
194: ok 14997
194: ok 14998
194: ok 14999
194: ok 15000
194: # math: passed testBasics_vector3
194: # math: entering testBasics_matrix3x3
194: ok 15001
194: ok 15002
194: ok 15003
194: ok 15004
194: ok 15005
194: ok 15006
194: ok 15007
194: ok 15008
194: ok 15009
194: ok 15010
194: ok 15011
194: ok 15012
194: ok 15013
194: ok 15014
194: ok 15015
194: ok 15016
194: ok 15017
194: ok 15018
194: ok 15019
194: ok 15020
194: ok 15021
194: ok 15022
194: ok 15023
194: ok 15024
194: ok 15025
194: ok 15026
194: ok 15027
194: ok 15028
194: ok 15029
194: ok 15030
194: ok 15031
194: ok 15032
194: ok 15033
194: ok 15034
194: ok 15035
194: ok 15036
194: ok 15037
194: ok 15038
194: ok 15039
194: ok 15040
194: ok 15041
194: ok 15042
194: ok 15043
194: ok 15044
194: ok 15045
194: ok 15046
194: ok 15047
194: ok 15048
194: ok 15049
194: ok 15050
194: ok 15051
194: ok 15052
194: ok 15053
194: ok 15054
194: ok 15055
194: ok 15056
194: ok 15057
194: ok 15058
194: ok 15059
194: ok 15060
194: ok 15061
194: ok 15062
194: ok 15063
194: ok 15064
194: ok 15065
194: ok 15066
194: ok 15067
194: ok 15068
194: ok 15069
194: ok 15070
194: ok 15071
194: ok 15072
194: ok 15073
194: ok 15074
194: ok 15075
194: ok 15076
194: ok 15077
194: ok 15078
194: ok 15079
194: ok 15080
194: ok 15081
194: ok 15082
194: ok 15083
194: ok 15084
194: ok 15085
194: ok 15086
194: ok 15087
194: ok 15088
194: ok 15089
194: ok 15090
194: ok 15091
194: ok 15092
194: ok 15093
194: ok 15094
194: ok 15095
194: ok 15096
194: ok 15097
194: ok 15098
194: ok 15099
194: ok 15100
194: ok 15101
194: ok 15102
194: ok 15103
194: ok 15104
194: ok 15105
194: ok 15106
194: ok 15107
194: ok 15108
194: ok 15109
194: ok 15110
194: ok 15111
194: ok 15112
194: ok 15113
194: ok 15114
194: ok 15115
194: ok 15116
194: ok 15117
194: ok 15118
194: ok 15119
194: ok 15120
194: ok 15121
194: ok 15122
194: ok 15123
194: ok 15124
194: ok 15125
194: ok 15126
194: ok 15127
194: ok 15128
194: ok 15129
194: ok 15130
194: ok 15131
194: ok 15132
194: ok 15133
194: ok 15134
194: ok 15135
194: ok 15136
194: ok 15137
194: ok 15138
194: ok 15139
194: ok 15140
194: ok 15141
194: ok 15142
194: ok 15143
194: ok 15144
194: ok 15145
194: ok 15146
194: ok 15147
194: ok 15148
194: ok 15149
194: ok 15150
194: ok 15151
194: ok 15152
194: ok 15153
194: ok 15154
194: ok 15155
194: ok 15156
194: ok 15157
194: ok 15158
194: ok 15159
194: ok 15160
194: ok 15161
194: ok 15162
194: ok 15163
194: ok 15164
194: ok 15165
194: ok 15166
194: ok 15167
194: ok 15168
194: ok 15169
194: ok 15170
194: ok 15171
194: ok 15172
194: ok 15173
194: ok 15174
194: ok 15175
194: ok 15176
194: ok 15177
194: ok 15178
194: ok 15179
194: ok 15180
194: ok 15181
194: ok 15182
194: ok 15183
194: ok 15184
194: ok 15185
194: ok 15186
194: ok 15187
194: ok 15188
194: ok 15189
194: ok 15190
194: ok 15191
194: ok 15192
194: ok 15193
194: ok 15194
194: ok 15195
194: ok 15196
194: ok 15197
194: ok 15198
194: ok 15199
194: ok 15200
194: ok 15201
194: ok 15202
194: ok 15203
194: ok 15204
194: ok 15205
194: ok 15206
194: ok 15207
194: ok 15208
194: ok 15209
194: ok 15210
194: ok 15211
194: ok 15212
194: ok 15213
194: ok 15214
194: ok 15215
194: ok 15216
194: ok 15217
194: ok 15218
194: ok 15219
194: ok 15220
194: ok 15221
194: ok 15222
194: ok 15223
194: ok 15224
194: ok 15225
194: ok 15226
194: ok 15227
194: ok 15228
194: ok 15229
194: ok 15230
194: ok 15231
194: ok 15232
194: ok 15233
194: ok 15234
194: ok 15235
194: ok 15236
194: ok 15237
194: ok 15238
194: ok 15239
194: ok 15240
194: ok 15241
194: ok 15242
194: ok 15243
194: ok 15244
194: ok 15245
194: ok 15246
194: ok 15247
194: ok 15248
194: ok 15249
194: ok 15250
194: ok 15251
194: ok 15252
194: ok 15253
194: ok 15254
194: ok 15255
194: ok 15256
194: ok 15257
194: ok 15258
194: ok 15259
194: ok 15260
194: ok 15261
194: ok 15262
194: ok 15263
194: ok 15264
194: ok 15265
194: ok 15266
194: ok 15267
194: ok 15268
194: ok 15269
194: ok 15270
194: ok 15271
194: ok 15272
194: ok 15273
194: ok 15274
194: ok 15275
194: ok 15276
194: ok 15277
194: ok 15278
194: ok 15279
194: ok 15280
194: ok 15281
194: ok 15282
194: ok 15283
194: ok 15284
194: ok 15285
194: ok 15286
194: ok 15287
194: ok 15288
194: ok 15289
194: ok 15290
194: ok 15291
194: ok 15292
194: ok 15293
194: ok 15294
194: ok 15295
194: ok 15296
194: ok 15297
194: ok 15298
194: ok 15299
194: ok 15300
194: ok 15301
194: ok 15302
194: ok 15303
194: ok 15304
194: ok 15305
194: ok 15306
194: ok 15307
194: ok 15308
194: ok 15309
194: ok 15310
194: ok 15311
194: ok 15312
194: ok 15313
194: ok 15314
194: ok 15315
194: ok 15316
194: ok 15317
194: ok 15318
194: ok 15319
194: ok 15320
194: ok 15321
194: ok 15322
194: ok 15323
194: ok 15324
194: ok 15325
194: ok 15326
194: ok 15327
194: ok 15328
194: ok 15329
194: ok 15330
194: ok 15331
194: ok 15332
194: ok 15333
194: ok 15334
194: ok 15335
194: ok 15336
194: ok 15337
194: ok 15338
194: ok 15339
194: ok 15340
194: ok 15341
194: ok 15342
194: ok 15343
194: ok 15344
194: ok 15345
194: ok 15346
194: ok 15347
194: ok 15348
194: ok 15349
194: ok 15350
194: ok 15351
194: ok 15352
194: ok 15353
194: ok 15354
194: ok 15355
194: ok 15356
194: ok 15357
194: ok 15358
194: ok 15359
194: ok 15360
194: ok 15361
194: ok 15362
194: ok 15363
194: ok 15364
194: ok 15365
194: ok 15366
194: ok 15367
194: ok 15368
194: ok 15369
194: ok 15370
194: ok 15371
194: ok 15372
194: ok 15373
194: ok 15374
194: ok 15375
194: ok 15376
194: ok 15377
194: ok 15378
194: ok 15379
194: ok 15380
194: ok 15381
194: ok 15382
194: ok 15383
194: ok 15384
194: ok 15385
194: ok 15386
194: ok 15387
194: ok 15388
194: ok 15389
194: ok 15390
194: ok 15391
194: ok 15392
194: ok 15393
194: ok 15394
194: ok 15395
194: ok 15396
194: ok 15397
194: ok 15398
194: ok 15399
194: ok 15400
194: ok 15401
194: ok 15402
194: ok 15403
194: ok 15404
194: ok 15405
194: ok 15406
194: ok 15407
194: ok 15408
194: ok 15409
194: ok 15410
194: ok 15411
194: ok 15412
194: ok 15413
194: ok 15414
194: ok 15415
194: ok 15416
194: ok 15417
194: ok 15418
194: ok 15419
194: ok 15420
194: ok 15421
194: ok 15422
194: ok 15423
194: ok 15424
194: ok 15425
194: ok 15426
194: ok 15427
194: ok 15428
194: ok 15429
194: ok 15430
194: ok 15431
194: ok 15432
194: ok 15433
194: ok 15434
194: ok 15435
194: ok 15436
194: ok 15437
194: ok 15438
194: ok 15439
194: ok 15440
194: ok 15441
194: ok 15442
194: ok 15443
194: ok 15444
194: ok 15445
194: ok 15446
194: ok 15447
194: ok 15448
194: ok 15449
194: ok 15450
194: ok 15451
194: ok 15452
194: ok 15453
194: ok 15454
194: ok 15455
194: ok 15456
194: ok 15457
194: ok 15458
194: ok 15459
194: ok 15460
194: ok 15461
194: ok 15462
194: ok 15463
194: ok 15464
194: ok 15465
194: ok 15466
194: ok 15467
194: ok 15468
194: ok 15469
194: ok 15470
194: ok 15471
194: ok 15472
194: ok 15473
194: ok 15474
194: ok 15475
194: ok 15476
194: ok 15477
194: ok 15478
194: ok 15479
194: ok 15480
194: ok 15481
194: ok 15482
194: ok 15483
194: ok 15484
194: ok 15485
194: ok 15486
194: ok 15487
194: ok 15488
194: ok 15489
194: ok 15490
194: ok 15491
194: ok 15492
194: ok 15493
194: ok 15494
194: ok 15495
194: ok 15496
194: ok 15497
194: ok 15498
194: ok 15499
194: ok 15500
194: ok 15501
194: ok 15502
194: ok 15503
194: ok 15504
194: ok 15505
194: ok 15506
194: ok 15507
194: ok 15508
194: ok 15509
194: ok 15510
194: ok 15511
194: ok 15512
194: ok 15513
194: ok 15514
194: ok 15515
194: ok 15516
194: ok 15517
194: ok 15518
194: ok 15519
194: ok 15520
194: ok 15521
194: ok 15522
194: ok 15523
194: ok 15524
194: ok 15525
194: ok 15526
194: ok 15527
194: ok 15528
194: ok 15529
194: ok 15530
194: ok 15531
194: ok 15532
194: ok 15533
194: ok 15534
194: ok 15535
194: ok 15536
194: ok 15537
194: ok 15538
194: ok 15539
194: ok 15540
194: ok 15541
194: ok 15542
194: ok 15543
194: ok 15544
194: ok 15545
194: ok 15546
194: ok 15547
194: ok 15548
194: ok 15549
194: ok 15550
194: ok 15551
194: ok 15552
194: ok 15553
194: ok 15554
194: ok 15555
194: ok 15556
194: ok 15557
194: ok 15558
194: ok 15559
194: ok 15560
194: ok 15561
194: ok 15562
194: ok 15563
194: ok 15564
194: ok 15565
194: ok 15566
194: ok 15567
194: ok 15568
194: ok 15569
194: ok 15570
194: ok 15571
194: ok 15572
194: ok 15573
194: ok 15574
194: ok 15575
194: ok 15576
194: ok 15577
194: ok 15578
194: ok 15579
194: ok 15580
194: ok 15581
194: ok 15582
194: ok 15583
194: ok 15584
194: ok 15585
194: ok 15586
194: ok 15587
194: ok 15588
194: ok 15589
194: ok 15590
194: ok 15591
194: ok 15592
194: ok 15593
194: ok 15594
194: ok 15595
194: ok 15596
194: ok 15597
194: ok 15598
194: ok 15599
194: ok 15600
194: ok 15601
194: ok 15602
194: ok 15603
194: ok 15604
194: ok 15605
194: ok 15606
194: ok 15607
194: ok 15608
194: ok 15609
194: ok 15610
194: ok 15611
194: ok 15612
194: ok 15613
194: ok 15614
194: ok 15615
194: ok 15616
194: ok 15617
194: ok 15618
194: ok 15619
194: ok 15620
194: ok 15621
194: ok 15622
194: ok 15623
194: ok 15624
194: ok 15625
194: ok 15626
194: ok 15627
194: ok 15628
194: ok 15629
194: ok 15630
194: ok 15631
194: ok 15632
194: ok 15633
194: ok 15634
194: ok 15635
194: ok 15636
194: ok 15637
194: ok 15638
194: ok 15639
194: ok 15640
194: ok 15641
194: ok 15642
194: ok 15643
194: ok 15644
194: ok 15645
194: ok 15646
194: ok 15647
194: ok 15648
194: ok 15649
194: ok 15650
194: ok 15651
194: ok 15652
194: ok 15653
194: ok 15654
194: ok 15655
194: ok 15656
194: ok 15657
194: ok 15658
194: ok 15659
194: ok 15660
194: ok 15661
194: ok 15662
194: ok 15663
194: ok 15664
194: ok 15665
194: ok 15666
194: ok 15667
194: ok 15668
194: ok 15669
194: ok 15670
194: ok 15671
194: ok 15672
194: ok 15673
194: ok 15674
194: ok 15675
194: ok 15676
194: ok 15677
194: ok 15678
194: ok 15679
194: ok 15680
194: ok 15681
194: ok 15682
194: ok 15683
194: ok 15684
194: ok 15685
194: ok 15686
194: ok 15687
194: ok 15688
194: ok 15689
194: ok 15690
194: ok 15691
194: ok 15692
194: ok 15693
194: ok 15694
194: ok 15695
194: ok 15696
194: ok 15697
194: ok 15698
194: ok 15699
194: ok 15700
194: ok 15701
194: ok 15702
194: ok 15703
194: ok 15704
194: ok 15705
194: ok 15706
194: ok 15707
194: ok 15708
194: ok 15709
194: ok 15710
194: ok 15711
194: ok 15712
194: ok 15713
194: ok 15714
194: ok 15715
194: ok 15716
194: ok 15717
194: ok 15718
194: ok 15719
194: ok 15720
194: ok 15721
194: ok 15722
194: ok 15723
194: ok 15724
194: ok 15725
194: ok 15726
194: ok 15727
194: ok 15728
194: ok 15729
194: ok 15730
194: ok 15731
194: ok 15732
194: ok 15733
194: ok 15734
194: ok 15735
194: ok 15736
194: ok 15737
194: ok 15738
194: ok 15739
194: ok 15740
194: ok 15741
194: ok 15742
194: ok 15743
194: ok 15744
194: ok 15745
194: ok 15746
194: ok 15747
194: ok 15748
194: ok 15749
194: ok 15750
194: ok 15751
194: ok 15752
194: ok 15753
194: ok 15754
194: ok 15755
194: ok 15756
194: ok 15757
194: ok 15758
194: ok 15759
194: ok 15760
194: ok 15761
194: ok 15762
194: ok 15763
194: ok 15764
194: ok 15765
194: ok 15766
194: ok 15767
194: ok 15768
194: ok 15769
194: ok 15770
194: ok 15771
194: ok 15772
194: ok 15773
194: ok 15774
194: ok 15775
194: ok 15776
194: ok 15777
194: ok 15778
194: ok 15779
194: ok 15780
194: ok 15781
194: ok 15782
194: ok 15783
194: ok 15784
194: ok 15785
194: ok 15786
194: ok 15787
194: ok 15788
194: ok 15789
194: ok 15790
194: ok 15791
194: ok 15792
194: ok 15793
194: ok 15794
194: ok 15795
194: ok 15796
194: ok 15797
194: ok 15798
194: ok 15799
194: ok 15800
194: ok 15801
194: ok 15802
194: ok 15803
194: ok 15804
194: ok 15805
194: ok 15806
194: ok 15807
194: ok 15808
194: ok 15809
194: ok 15810
194: ok 15811
194: ok 15812
194: ok 15813
194: ok 15814
194: ok 15815
194: ok 15816
194: ok 15817
194: ok 15818
194: ok 15819
194: ok 15820
194: ok 15821
194: ok 15822
194: ok 15823
194: ok 15824
194: ok 15825
194: ok 15826
194: ok 15827
194: ok 15828
194: ok 15829
194: ok 15830
194: ok 15831
194: ok 15832
194: ok 15833
194: ok 15834
194: ok 15835
194: ok 15836
194: ok 15837
194: ok 15838
194: ok 15839
194: ok 15840
194: ok 15841
194: ok 15842
194: ok 15843
194: ok 15844
194: ok 15845
194: ok 15846
194: ok 15847
194: ok 15848
194: ok 15849
194: ok 15850
194: ok 15851
194: ok 15852
194: ok 15853
194: ok 15854
194: ok 15855
194: ok 15856
194: ok 15857
194: ok 15858
194: ok 15859
194: ok 15860
194: ok 15861
194: ok 15862
194: ok 15863
194: ok 15864
194: ok 15865
194: ok 15866
194: ok 15867
194: ok 15868
194: ok 15869
194: ok 15870
194: ok 15871
194: ok 15872
194: ok 15873
194: ok 15874
194: ok 15875
194: ok 15876
194: ok 15877
194: ok 15878
194: ok 15879
194: ok 15880
194: ok 15881
194: ok 15882
194: ok 15883
194: ok 15884
194: ok 15885
194: ok 15886
194: ok 15887
194: ok 15888
194: ok 15889
194: ok 15890
194: ok 15891
194: ok 15892
194: ok 15893
194: ok 15894
194: ok 15895
194: ok 15896
194: ok 15897
194: ok 15898
194: ok 15899
194: ok 15900
194: ok 15901
194: ok 15902
194: ok 15903
194: ok 15904
194: ok 15905
194: ok 15906
194: ok 15907
194: ok 15908
194: ok 15909
194: ok 15910
194: ok 15911
194: ok 15912
194: ok 15913
194: ok 15914
194: ok 15915
194: ok 15916
194: ok 15917
194: ok 15918
194: ok 15919
194: ok 15920
194: ok 15921
194: ok 15922
194: ok 15923
194: ok 15924
194: ok 15925
194: ok 15926
194: ok 15927
194: ok 15928
194: ok 15929
194: ok 15930
194: ok 15931
194: ok 15932
194: ok 15933
194: ok 15934
194: ok 15935
194: ok 15936
194: ok 15937
194: ok 15938
194: ok 15939
194: ok 15940
194: ok 15941
194: ok 15942
194: ok 15943
194: ok 15944
194: ok 15945
194: ok 15946
194: ok 15947
194: ok 15948
194: ok 15949
194: ok 15950
194: ok 15951
194: ok 15952
194: ok 15953
194: ok 15954
194: ok 15955
194: ok 15956
194: ok 15957
194: ok 15958
194: ok 15959
194: ok 15960
194: ok 15961
194: ok 15962
194: ok 15963
194: ok 15964
194: ok 15965
194: ok 15966
194: ok 15967
194: ok 15968
194: ok 15969
194: ok 15970
194: ok 15971
194: ok 15972
194: ok 15973
194: ok 15974
194: ok 15975
194: ok 15976
194: ok 15977
194: ok 15978
194: ok 15979
194: ok 15980
194: ok 15981
194: ok 15982
194: ok 15983
194: ok 15984
194: ok 15985
194: ok 15986
194: ok 15987
194: ok 15988
194: ok 15989
194: ok 15990
194: ok 15991
194: ok 15992
194: ok 15993
194: ok 15994
194: ok 15995
194: ok 15996
194: ok 15997
194: ok 15998
194: ok 15999
194: ok 16000
194: ok 16001
194: ok 16002
194: ok 16003
194: ok 16004
194: ok 16005
194: ok 16006
194: ok 16007
194: ok 16008
194: ok 16009
194: ok 16010
194: ok 16011
194: ok 16012
194: ok 16013
194: ok 16014
194: ok 16015
194: ok 16016
194: ok 16017
194: ok 16018
194: ok 16019
194: ok 16020
194: ok 16021
194: ok 16022
194: ok 16023
194: ok 16024
194: ok 16025
194: ok 16026
194: ok 16027
194: ok 16028
194: ok 16029
194: ok 16030
194: ok 16031
194: ok 16032
194: ok 16033
194: ok 16034
194: ok 16035
194: ok 16036
194: ok 16037
194: ok 16038
194: ok 16039
194: ok 16040
194: ok 16041
194: ok 16042
194: ok 16043
194: ok 16044
194: ok 16045
194: ok 16046
194: ok 16047
194: ok 16048
194: ok 16049
194: ok 16050
194: ok 16051
194: ok 16052
194: ok 16053
194: ok 16054
194: ok 16055
194: ok 16056
194: ok 16057
194: ok 16058
194: ok 16059
194: ok 16060
194: ok 16061
194: ok 16062
194: ok 16063
194: ok 16064
194: ok 16065
194: ok 16066
194: ok 16067
194: ok 16068
194: ok 16069
194: ok 16070
194: ok 16071
194: ok 16072
194: ok 16073
194: ok 16074
194: ok 16075
194: ok 16076
194: ok 16077
194: ok 16078
194: ok 16079
194: ok 16080
194: ok 16081
194: ok 16082
194: ok 16083
194: ok 16084
194: ok 16085
194: ok 16086
194: ok 16087
194: ok 16088
194: ok 16089
194: ok 16090
194: ok 16091
194: ok 16092
194: ok 16093
194: ok 16094
194: ok 16095
194: ok 16096
194: ok 16097
194: ok 16098
194: ok 16099
194: ok 16100
194: ok 16101
194: ok 16102
194: ok 16103
194: ok 16104
194: ok 16105
194: ok 16106
194: ok 16107
194: ok 16108
194: ok 16109
194: ok 16110
194: ok 16111
194: ok 16112
194: ok 16113
194: ok 16114
194: ok 16115
194: ok 16116
194: ok 16117
194: ok 16118
194: ok 16119
194: ok 16120
194: ok 16121
194: ok 16122
194: ok 16123
194: ok 16124
194: ok 16125
194: ok 16126
194: ok 16127
194: ok 16128
194: ok 16129
194: ok 16130
194: ok 16131
194: ok 16132
194: ok 16133
194: ok 16134
194: ok 16135
194: ok 16136
194: ok 16137
194: ok 16138
194: ok 16139
194: ok 16140
194: ok 16141
194: ok 16142
194: ok 16143
194: ok 16144
194: ok 16145
194: ok 16146
194: ok 16147
194: ok 16148
194: ok 16149
194: ok 16150
194: ok 16151
194: ok 16152
194: ok 16153
194: ok 16154
194: ok 16155
194: ok 16156
194: ok 16157
194: ok 16158
194: ok 16159
194: ok 16160
194: ok 16161
194: ok 16162
194: ok 16163
194: ok 16164
194: ok 16165
194: ok 16166
194: ok 16167
194: ok 16168
194: ok 16169
194: ok 16170
194: ok 16171
194: ok 16172
194: ok 16173
194: ok 16174
194: ok 16175
194: ok 16176
194: ok 16177
194: ok 16178
194: ok 16179
194: ok 16180
194: ok 16181
194: ok 16182
194: ok 16183
194: ok 16184
194: ok 16185
194: ok 16186
194: ok 16187
194: ok 16188
194: ok 16189
194: ok 16190
194: ok 16191
194: ok 16192
194: ok 16193
194: ok 16194
194: ok 16195
194: ok 16196
194: ok 16197
194: ok 16198
194: ok 16199
194: ok 16200
194: ok 16201
194: ok 16202
194: ok 16203
194: ok 16204
194: ok 16205
194: ok 16206
194: ok 16207
194: ok 16208
194: ok 16209
194: ok 16210
194: ok 16211
194: ok 16212
194: ok 16213
194: ok 16214
194: ok 16215
194: ok 16216
194: ok 16217
194: ok 16218
194: ok 16219
194: ok 16220
194: ok 16221
194: ok 16222
194: ok 16223
194: ok 16224
194: ok 16225
194: ok 16226
194: ok 16227
194: ok 16228
194: ok 16229
194: ok 16230
194: ok 16231
194: ok 16232
194: ok 16233
194: ok 16234
194: ok 16235
194: ok 16236
194: ok 16237
194: ok 16238
194: ok 16239
194: ok 16240
194: ok 16241
194: ok 16242
194: ok 16243
194: ok 16244
194: ok 16245
194: ok 16246
194: ok 16247
194: ok 16248
194: ok 16249
194: ok 16250
194: ok 16251
194: ok 16252
194: ok 16253
194: ok 16254
194: ok 16255
194: ok 16256
194: ok 16257
194: ok 16258
194: ok 16259
194: ok 16260
194: ok 16261
194: ok 16262
194: ok 16263
194: ok 16264
194: ok 16265
194: ok 16266
194: ok 16267
194: ok 16268
194: ok 16269
194: ok 16270
194: ok 16271
194: ok 16272
194: ok 16273
194: ok 16274
194: ok 16275
194: ok 16276
194: ok 16277
194: ok 16278
194: ok 16279
194: ok 16280
194: ok 16281
194: ok 16282
194: ok 16283
194: ok 16284
194: ok 16285
194: ok 16286
194: ok 16287
194: ok 16288
194: ok 16289
194: ok 16290
194: ok 16291
194: ok 16292
194: ok 16293
194: ok 16294
194: ok 16295
194: ok 16296
194: ok 16297
194: ok 16298
194: ok 16299
194: ok 16300
194: ok 16301
194: ok 16302
194: ok 16303
194: ok 16304
194: ok 16305
194: ok 16306
194: ok 16307
194: ok 16308
194: ok 16309
194: ok 16310
194: ok 16311
194: ok 16312
194: ok 16313
194: ok 16314
194: ok 16315
194: ok 16316
194: ok 16317
194: ok 16318
194: ok 16319
194: ok 16320
194: ok 16321
194: ok 16322
194: ok 16323
194: ok 16324
194: ok 16325
194: ok 16326
194: ok 16327
194: ok 16328
194: ok 16329
194: ok 16330
194: ok 16331
194: ok 16332
194: ok 16333
194: ok 16334
194: ok 16335
194: ok 16336
194: ok 16337
194: ok 16338
194: ok 16339
194: ok 16340
194: ok 16341
194: ok 16342
194: ok 16343
194: ok 16344
194: ok 16345
194: ok 16346
194: ok 16347
194: ok 16348
194: ok 16349
194: ok 16350
194: ok 16351
194: ok 16352
194: ok 16353
194: ok 16354
194: ok 16355
194: ok 16356
194: ok 16357
194: ok 16358
194: ok 16359
194: ok 16360
194: ok 16361
194: ok 16362
194: ok 16363
194: ok 16364
194: ok 16365
194: ok 16366
194: ok 16367
194: ok 16368
194: ok 16369
194: ok 16370
194: ok 16371
194: ok 16372
194: ok 16373
194: ok 16374
194: ok 16375
194: ok 16376
194: ok 16377
194: ok 16378
194: ok 16379
194: ok 16380
194: ok 16381
194: ok 16382
194: ok 16383
194: ok 16384
194: ok 16385
194: ok 16386
194: ok 16387
194: ok 16388
194: ok 16389
194: ok 16390
194: ok 16391
194: ok 16392
194: ok 16393
194: ok 16394
194: ok 16395
194: ok 16396
194: ok 16397
194: ok 16398
194: ok 16399
194: ok 16400
194: ok 16401
194: ok 16402
194: ok 16403
194: ok 16404
194: ok 16405
194: ok 16406
194: ok 16407
194: ok 16408
194: ok 16409
194: ok 16410
194: ok 16411
194: ok 16412
194: ok 16413
194: ok 16414
194: ok 16415
194: ok 16416
194: ok 16417
194: ok 16418
194: ok 16419
194: ok 16420
194: ok 16421
194: ok 16422
194: ok 16423
194: ok 16424
194: ok 16425
194: ok 16426
194: ok 16427
194: ok 16428
194: ok 16429
194: ok 16430
194: ok 16431
194: ok 16432
194: ok 16433
194: ok 16434
194: ok 16435
194: ok 16436
194: ok 16437
194: ok 16438
194: ok 16439
194: ok 16440
194: ok 16441
194: ok 16442
194: ok 16443
194: ok 16444
194: ok 16445
194: ok 16446
194: ok 16447
194: ok 16448
194: ok 16449
194: ok 16450
194: ok 16451
194: ok 16452
194: ok 16453
194: ok 16454
194: ok 16455
194: ok 16456
194: ok 16457
194: ok 16458
194: ok 16459
194: ok 16460
194: ok 16461
194: ok 16462
194: ok 16463
194: ok 16464
194: ok 16465
194: ok 16466
194: ok 16467
194: ok 16468
194: ok 16469
194: ok 16470
194: ok 16471
194: ok 16472
194: ok 16473
194: ok 16474
194: ok 16475
194: ok 16476
194: ok 16477
194: ok 16478
194: ok 16479
194: ok 16480
194: ok 16481
194: ok 16482
194: ok 16483
194: ok 16484
194: ok 16485
194: ok 16486
194: ok 16487
194: ok 16488
194: ok 16489
194: ok 16490
194: ok 16491
194: ok 16492
194: ok 16493
194: ok 16494
194: ok 16495
194: ok 16496
194: ok 16497
194: ok 16498
194: ok 16499
194: ok 16500
194: ok 16501
194: ok 16502
194: ok 16503
194: ok 16504
194: ok 16505
194: ok 16506
194: ok 16507
194: ok 16508
194: ok 16509
194: ok 16510
194: ok 16511
194: ok 16512
194: ok 16513
194: ok 16514
194: ok 16515
194: ok 16516
194: ok 16517
194: ok 16518
194: ok 16519
194: ok 16520
194: ok 16521
194: ok 16522
194: ok 16523
194: ok 16524
194: ok 16525
194: ok 16526
194: ok 16527
194: ok 16528
194: ok 16529
194: ok 16530
194: ok 16531
194: ok 16532
194: ok 16533
194: ok 16534
194: ok 16535
194: ok 16536
194: ok 16537
194: ok 16538
194: ok 16539
194: ok 16540
194: ok 16541
194: ok 16542
194: ok 16543
194: ok 16544
194: ok 16545
194: ok 16546
194: ok 16547
194: ok 16548
194: ok 16549
194: ok 16550
194: ok 16551
194: ok 16552
194: ok 16553
194: ok 16554
194: ok 16555
194: ok 16556
194: ok 16557
194: ok 16558
194: ok 16559
194: ok 16560
194: ok 16561
194: ok 16562
194: ok 16563
194: ok 16564
194: ok 16565
194: ok 16566
194: ok 16567
194: ok 16568
194: ok 16569
194: ok 16570
194: ok 16571
194: ok 16572
194: ok 16573
194: ok 16574
194: ok 16575
194: ok 16576
194: ok 16577
194: ok 16578
194: ok 16579
194: ok 16580
194: ok 16581
194: ok 16582
194: ok 16583
194: ok 16584
194: ok 16585
194: ok 16586
194: ok 16587
194: ok 16588
194: ok 16589
194: ok 16590
194: ok 16591
194: ok 16592
194: ok 16593
194: ok 16594
194: ok 16595
194: ok 16596
194: ok 16597
194: ok 16598
194: ok 16599
194: ok 16600
194: ok 16601
194: ok 16602
194: ok 16603
194: ok 16604
194: ok 16605
194: ok 16606
194: ok 16607
194: ok 16608
194: ok 16609
194: ok 16610
194: ok 16611
194: ok 16612
194: ok 16613
194: ok 16614
194: ok 16615
194: ok 16616
194: ok 16617
194: ok 16618
194: ok 16619
194: ok 16620
194: ok 16621
194: ok 16622
194: ok 16623
194: ok 16624
194: ok 16625
194: ok 16626
194: ok 16627
194: ok 16628
194: ok 16629
194: ok 16630
194: ok 16631
194: ok 16632
194: ok 16633
194: ok 16634
194: ok 16635
194: ok 16636
194: ok 16637
194: ok 16638
194: ok 16639
194: ok 16640
194: ok 16641
194: ok 16642
194: ok 16643
194: ok 16644
194: ok 16645
194: ok 16646
194: ok 16647
194: ok 16648
194: ok 16649
194: ok 16650
194: ok 16651
194: ok 16652
194: ok 16653
194: ok 16654
194: ok 16655
194: ok 16656
194: ok 16657
194: ok 16658
194: ok 16659
194: ok 16660
194: ok 16661
194: ok 16662
194: ok 16663
194: ok 16664
194: ok 16665
194: ok 16666
194: ok 16667
194: ok 16668
194: ok 16669
194: ok 16670
194: ok 16671
194: ok 16672
194: ok 16673
194: ok 16674
194: ok 16675
194: ok 16676
194: ok 16677
194: ok 16678
194: ok 16679
194: ok 16680
194: ok 16681
194: ok 16682
194: ok 16683
194: ok 16684
194: ok 16685
194: ok 16686
194: ok 16687
194: ok 16688
194: ok 16689
194: ok 16690
194: ok 16691
194: ok 16692
194: ok 16693
194: ok 16694
194: ok 16695
194: ok 16696
194: ok 16697
194: ok 16698
194: ok 16699
194: ok 16700
194: ok 16701
194: ok 16702
194: ok 16703
194: ok 16704
194: ok 16705
194: ok 16706
194: ok 16707
194: ok 16708
194: ok 16709
194: ok 16710
194: ok 16711
194: ok 16712
194: ok 16713
194: ok 16714
194: ok 16715
194: ok 16716
194: ok 16717
194: ok 16718
194: ok 16719
194: ok 16720
194: ok 16721
194: ok 16722
194: ok 16723
194: ok 16724
194: ok 16725
194: ok 16726
194: ok 16727
194: ok 16728
194: ok 16729
194: ok 16730
194: ok 16731
194: ok 16732
194: ok 16733
194: ok 16734
194: ok 16735
194: ok 16736
194: ok 16737
194: ok 16738
194: ok 16739
194: ok 16740
194: ok 16741
194: ok 16742
194: ok 16743
194: ok 16744
194: ok 16745
194: ok 16746
194: ok 16747
194: ok 16748
194: ok 16749
194: ok 16750
194: ok 16751
194: ok 16752
194: ok 16753
194: ok 16754
194: ok 16755
194: ok 16756
194: ok 16757
194: ok 16758
194: ok 16759
194: ok 16760
194: ok 16761
194: ok 16762
194: ok 16763
194: ok 16764
194: ok 16765
194: ok 16766
194: ok 16767
194: ok 16768
194: ok 16769
194: ok 16770
194: ok 16771
194: ok 16772
194: ok 16773
194: ok 16774
194: ok 16775
194: ok 16776
194: ok 16777
194: ok 16778
194: ok 16779
194: ok 16780
194: ok 16781
194: ok 16782
194: ok 16783
194: ok 16784
194: ok 16785
194: ok 16786
194: ok 16787
194: ok 16788
194: ok 16789
194: ok 16790
194: ok 16791
194: ok 16792
194: ok 16793
194: ok 16794
194: ok 16795
194: ok 16796
194: ok 16797
194: ok 16798
194: ok 16799
194: ok 16800
194: ok 16801
194: ok 16802
194: ok 16803
194: ok 16804
194: ok 16805
194: ok 16806
194: ok 16807
194: ok 16808
194: ok 16809
194: ok 16810
194: ok 16811
194: ok 16812
194: ok 16813
194: ok 16814
194: ok 16815
194: ok 16816
194: ok 16817
194: ok 16818
194: ok 16819
194: ok 16820
194: ok 16821
194: ok 16822
194: ok 16823
194: ok 16824
194: ok 16825
194: ok 16826
194: ok 16827
194: ok 16828
194: ok 16829
194: ok 16830
194: ok 16831
194: ok 16832
194: ok 16833
194: ok 16834
194: ok 16835
194: ok 16836
194: ok 16837
194: ok 16838
194: ok 16839
194: ok 16840
194: ok 16841
194: ok 16842
194: ok 16843
194: ok 16844
194: ok 16845
194: ok 16846
194: ok 16847
194: ok 16848
194: ok 16849
194: ok 16850
194: ok 16851
194: ok 16852
194: ok 16853
194: ok 16854
194: ok 16855
194: ok 16856
194: ok 16857
194: ok 16858
194: ok 16859
194: ok 16860
194: ok 16861
194: ok 16862
194: ok 16863
194: ok 16864
194: ok 16865
194: ok 16866
194: ok 16867
194: ok 16868
194: ok 16869
194: ok 16870
194: ok 16871
194: ok 16872
194: ok 16873
194: ok 16874
194: ok 16875
194: ok 16876
194: ok 16877
194: ok 16878
194: ok 16879
194: ok 16880
194: ok 16881
194: ok 16882
194: ok 16883
194: ok 16884
194: ok 16885
194: ok 16886
194: ok 16887
194: ok 16888
194: ok 16889
194: ok 16890
194: ok 16891
194: ok 16892
194: ok 16893
194: ok 16894
194: ok 16895
194: ok 16896
194: ok 16897
194: ok 16898
194: ok 16899
194: ok 16900
194: ok 16901
194: ok 16902
194: ok 16903
194: ok 16904
194: ok 16905
194: ok 16906
194: ok 16907
194: ok 16908
194: ok 16909
194: ok 16910
194: ok 16911
194: ok 16912
194: ok 16913
194: ok 16914
194: ok 16915
194: ok 16916
194: ok 16917
194: ok 16918
194: ok 16919
194: ok 16920
194: ok 16921
194: ok 16922
194: ok 16923
194: ok 16924
194: ok 16925
194: ok 16926
194: ok 16927
194: ok 16928
194: ok 16929
194: ok 16930
194: ok 16931
194: ok 16932
194: ok 16933
194: ok 16934
194: ok 16935
194: ok 16936
194: ok 16937
194: ok 16938
194: ok 16939
194: ok 16940
194: ok 16941
194: ok 16942
194: ok 16943
194: ok 16944
194: ok 16945
194: ok 16946
194: ok 16947
194: ok 16948
194: ok 16949
194: ok 16950
194: ok 16951
194: ok 16952
194: ok 16953
194: ok 16954
194: ok 16955
194: ok 16956
194: ok 16957
194: ok 16958
194: ok 16959
194: ok 16960
194: ok 16961
194: ok 16962
194: ok 16963
194: ok 16964
194: ok 16965
194: ok 16966
194: ok 16967
194: ok 16968
194: ok 16969
194: ok 16970
194: ok 16971
194: ok 16972
194: ok 16973
194: ok 16974
194: ok 16975
194: ok 16976
194: ok 16977
194: ok 16978
194: ok 16979
194: ok 16980
194: ok 16981
194: ok 16982
194: ok 16983
194: ok 16984
194: ok 16985
194: ok 16986
194: ok 16987
194: ok 16988
194: ok 16989
194: ok 16990
194: ok 16991
194: ok 16992
194: ok 16993
194: ok 16994
194: ok 16995
194: ok 16996
194: ok 16997
194: ok 16998
194: ok 16999
194: ok 17000
194: ok 17001
194: ok 17002
194: ok 17003
194: ok 17004
194: ok 17005
194: ok 17006
194: ok 17007
194: ok 17008
194: ok 17009
194: ok 17010
194: ok 17011
194: ok 17012
194: ok 17013
194: ok 17014
194: ok 17015
194: ok 17016
194: ok 17017
194: ok 17018
194: ok 17019
194: ok 17020
194: ok 17021
194: ok 17022
194: ok 17023
194: ok 17024
194: ok 17025
194: ok 17026
194: ok 17027
194: ok 17028
194: ok 17029
194: ok 17030
194: ok 17031
194: ok 17032
194: ok 17033
194: ok 17034
194: ok 17035
194: ok 17036
194: ok 17037
194: ok 17038
194: ok 17039
194: ok 17040
194: ok 17041
194: ok 17042
194: ok 17043
194: ok 17044
194: ok 17045
194: ok 17046
194: ok 17047
194: ok 17048
194: ok 17049
194: ok 17050
194: ok 17051
194: ok 17052
194: ok 17053
194: ok 17054
194: ok 17055
194: ok 17056
194: ok 17057
194: ok 17058
194: ok 17059
194: ok 17060
194: ok 17061
194: ok 17062
194: ok 17063
194: ok 17064
194: ok 17065
194: ok 17066
194: ok 17067
194: ok 17068
194: ok 17069
194: ok 17070
194: ok 17071
194: ok 17072
194: ok 17073
194: ok 17074
194: ok 17075
194: ok 17076
194: ok 17077
194: ok 17078
194: ok 17079
194: ok 17080
194: ok 17081
194: ok 17082
194: ok 17083
194: ok 17084
194: ok 17085
194: ok 17086
194: ok 17087
194: ok 17088
194: ok 17089
194: ok 17090
194: ok 17091
194: ok 17092
194: ok 17093
194: ok 17094
194: ok 17095
194: ok 17096
194: ok 17097
194: ok 17098
194: ok 17099
194: ok 17100
194: ok 17101
194: ok 17102
194: ok 17103
194: ok 17104
194: ok 17105
194: ok 17106
194: ok 17107
194: ok 17108
194: ok 17109
194: ok 17110
194: ok 17111
194: ok 17112
194: ok 17113
194: ok 17114
194: ok 17115
194: ok 17116
194: ok 17117
194: ok 17118
194: ok 17119
194: ok 17120
194: ok 17121
194: ok 17122
194: ok 17123
194: ok 17124
194: ok 17125
194: ok 17126
194: ok 17127
194: ok 17128
194: ok 17129
194: ok 17130
194: ok 17131
194: ok 17132
194: ok 17133
194: ok 17134
194: ok 17135
194: ok 17136
194: ok 17137
194: ok 17138
194: ok 17139
194: ok 17140
194: ok 17141
194: ok 17142
194: ok 17143
194: ok 17144
194: ok 17145
194: ok 17146
194: ok 17147
194: ok 17148
194: ok 17149
194: ok 17150
194: ok 17151
194: ok 17152
194: ok 17153
194: ok 17154
194: ok 17155
194: ok 17156
194: ok 17157
194: ok 17158
194: ok 17159
194: ok 17160
194: ok 17161
194: ok 17162
194: ok 17163
194: ok 17164
194: ok 17165
194: ok 17166
194: ok 17167
194: ok 17168
194: ok 17169
194: ok 17170
194: ok 17171
194: ok 17172
194: ok 17173
194: ok 17174
194: ok 17175
194: ok 17176
194: ok 17177
194: ok 17178
194: ok 17179
194: ok 17180
194: ok 17181
194: ok 17182
194: ok 17183
194: ok 17184
194: ok 17185
194: ok 17186
194: ok 17187
194: ok 17188
194: ok 17189
194: ok 17190
194: ok 17191
194: ok 17192
194: ok 17193
194: ok 17194
194: ok 17195
194: ok 17196
194: ok 17197
194: ok 17198
194: ok 17199
194: ok 17200
194: ok 17201
194: ok 17202
194: ok 17203
194: ok 17204
194: ok 17205
194: ok 17206
194: ok 17207
194: ok 17208
194: ok 17209
194: ok 17210
194: ok 17211
194: ok 17212
194: ok 17213
194: ok 17214
194: ok 17215
194: ok 17216
194: ok 17217
194: ok 17218
194: ok 17219
194: ok 17220
194: ok 17221
194: ok 17222
194: ok 17223
194: ok 17224
194: ok 17225
194: ok 17226
194: ok 17227
194: ok 17228
194: ok 17229
194: ok 17230
194: ok 17231
194: ok 17232
194: ok 17233
194: ok 17234
194: ok 17235
194: ok 17236
194: ok 17237
194: ok 17238
194: ok 17239
194: ok 17240
194: ok 17241
194: ok 17242
194: ok 17243
194: ok 17244
194: ok 17245
194: ok 17246
194: ok 17247
194: ok 17248
194: ok 17249
194: ok 17250
194: ok 17251
194: ok 17252
194: ok 17253
194: ok 17254
194: ok 17255
194: ok 17256
194: ok 17257
194: ok 17258
194: ok 17259
194: ok 17260
194: ok 17261
194: ok 17262
194: ok 17263
194: ok 17264
194: ok 17265
194: ok 17266
194: ok 17267
194: ok 17268
194: ok 17269
194: ok 17270
194: ok 17271
194: ok 17272
194: ok 17273
194: ok 17274
194: ok 17275
194: ok 17276
194: ok 17277
194: ok 17278
194: ok 17279
194: ok 17280
194: ok 17281
194: ok 17282
194: ok 17283
194: ok 17284
194: ok 17285
194: ok 17286
194: ok 17287
194: ok 17288
194: ok 17289
194: ok 17290
194: ok 17291
194: ok 17292
194: ok 17293
194: ok 17294
194: ok 17295
194: ok 17296
194: ok 17297
194: ok 17298
194: ok 17299
194: ok 17300
194: ok 17301
194: ok 17302
194: ok 17303
194: ok 17304
194: ok 17305
194: ok 17306
194: ok 17307
194: ok 17308
194: ok 17309
194: ok 17310
194: ok 17311
194: ok 17312
194: ok 17313
194: ok 17314
194: ok 17315
194: ok 17316
194: ok 17317
194: ok 17318
194: ok 17319
194: ok 17320
194: ok 17321
194: ok 17322
194: ok 17323
194: ok 17324
194: ok 17325
194: ok 17326
194: ok 17327
194: ok 17328
194: ok 17329
194: ok 17330
194: ok 17331
194: ok 17332
194: ok 17333
194: ok 17334
194: ok 17335
194: ok 17336
194: ok 17337
194: ok 17338
194: ok 17339
194: ok 17340
194: ok 17341
194: ok 17342
194: ok 17343
194: ok 17344
194: ok 17345
194: ok 17346
194: ok 17347
194: ok 17348
194: ok 17349
194: ok 17350
194: ok 17351
194: ok 17352
194: ok 17353
194: ok 17354
194: ok 17355
194: ok 17356
194: ok 17357
194: ok 17358
194: ok 17359
194: ok 17360
194: ok 17361
194: ok 17362
194: ok 17363
194: ok 17364
194: ok 17365
194: ok 17366
194: ok 17367
194: ok 17368
194: ok 17369
194: ok 17370
194: ok 17371
194: ok 17372
194: ok 17373
194: ok 17374
194: ok 17375
194: ok 17376
194: ok 17377
194: ok 17378
194: ok 17379
194: ok 17380
194: ok 17381
194: ok 17382
194: ok 17383
194: ok 17384
194: ok 17385
194: ok 17386
194: ok 17387
194: ok 17388
194: ok 17389
194: ok 17390
194: ok 17391
194: ok 17392
194: ok 17393
194: ok 17394
194: ok 17395
194: ok 17396
194: ok 17397
194: ok 17398
194: ok 17399
194: ok 17400
194: ok 17401
194: ok 17402
194: ok 17403
194: ok 17404
194: ok 17405
194: ok 17406
194: ok 17407
194: ok 17408
194: ok 17409
194: ok 17410
194: ok 17411
194: ok 17412
194: ok 17413
194: ok 17414
194: ok 17415
194: ok 17416
194: ok 17417
194: ok 17418
194: ok 17419
194: ok 17420
194: ok 17421
194: ok 17422
194: ok 17423
194: ok 17424
194: ok 17425
194: ok 17426
194: ok 17427
194: ok 17428
194: ok 17429
194: ok 17430
194: ok 17431
194: ok 17432
194: ok 17433
194: ok 17434
194: ok 17435
194: ok 17436
194: ok 17437
194: ok 17438
194: ok 17439
194: ok 17440
194: ok 17441
194: ok 17442
194: ok 17443
194: ok 17444
194: ok 17445
194: ok 17446
194: ok 17447
194: ok 17448
194: ok 17449
194: ok 17450
194: ok 17451
194: ok 17452
194: ok 17453
194: ok 17454
194: ok 17455
194: ok 17456
194: ok 17457
194: ok 17458
194: ok 17459
194: ok 17460
194: ok 17461
194: ok 17462
194: ok 17463
194: ok 17464
194: ok 17465
194: ok 17466
194: ok 17467
194: ok 17468
194: ok 17469
194: ok 17470
194: ok 17471
194: ok 17472
194: ok 17473
194: ok 17474
194: ok 17475
194: ok 17476
194: ok 17477
194: ok 17478
194: ok 17479
194: ok 17480
194: ok 17481
194: ok 17482
194: ok 17483
194: ok 17484
194: ok 17485
194: ok 17486
194: ok 17487
194: ok 17488
194: ok 17489
194: ok 17490
194: ok 17491
194: ok 17492
194: ok 17493
194: ok 17494
194: ok 17495
194: ok 17496
194: ok 17497
194: ok 17498
194: ok 17499
194: ok 17500
194: ok 17501
194: ok 17502
194: ok 17503
194: ok 17504
194: ok 17505
194: ok 17506
194: ok 17507
194: ok 17508
194: ok 17509
194: ok 17510
194: ok 17511
194: ok 17512
194: ok 17513
194: ok 17514
194: ok 17515
194: ok 17516
194: ok 17517
194: ok 17518
194: ok 17519
194: ok 17520
194: ok 17521
194: ok 17522
194: ok 17523
194: ok 17524
194: ok 17525
194: ok 17526
194: ok 17527
194: ok 17528
194: ok 17529
194: ok 17530
194: ok 17531
194: ok 17532
194: ok 17533
194: ok 17534
194: ok 17535
194: ok 17536
194: ok 17537
194: ok 17538
194: ok 17539
194: ok 17540
194: ok 17541
194: ok 17542
194: ok 17543
194: ok 17544
194: ok 17545
194: ok 17546
194: ok 17547
194: ok 17548
194: ok 17549
194: ok 17550
194: ok 17551
194: ok 17552
194: ok 17553
194: ok 17554
194: ok 17555
194: ok 17556
194: ok 17557
194: ok 17558
194: ok 17559
194: ok 17560
194: ok 17561
194: ok 17562
194: ok 17563
194: ok 17564
194: ok 17565
194: ok 17566
194: ok 17567
194: ok 17568
194: ok 17569
194: ok 17570
194: ok 17571
194: ok 17572
194: ok 17573
194: ok 17574
194: ok 17575
194: ok 17576
194: ok 17577
194: ok 17578
194: ok 17579
194: ok 17580
194: ok 17581
194: ok 17582
194: ok 17583
194: ok 17584
194: ok 17585
194: ok 17586
194: ok 17587
194: ok 17588
194: ok 17589
194: ok 17590
194: ok 17591
194: ok 17592
194: ok 17593
194: ok 17594
194: ok 17595
194: ok 17596
194: ok 17597
194: ok 17598
194: ok 17599
194: ok 17600
194: ok 17601
194: ok 17602
194: ok 17603
194: ok 17604
194: ok 17605
194: ok 17606
194: ok 17607
194: ok 17608
194: ok 17609
194: ok 17610
194: ok 17611
194: ok 17612
194: ok 17613
194: ok 17614
194: ok 17615
194: ok 17616
194: ok 17617
194: ok 17618
194: ok 17619
194: ok 17620
194: ok 17621
194: ok 17622
194: ok 17623
194: ok 17624
194: ok 17625
194: ok 17626
194: ok 17627
194: ok 17628
194: ok 17629
194: ok 17630
194: ok 17631
194: ok 17632
194: ok 17633
194: ok 17634
194: ok 17635
194: ok 17636
194: ok 17637
194: ok 17638
194: ok 17639
194: ok 17640
194: ok 17641
194: ok 17642
194: ok 17643
194: ok 17644
194: ok 17645
194: ok 17646
194: ok 17647
194: ok 17648
194: ok 17649
194: ok 17650
194: ok 17651
194: ok 17652
194: ok 17653
194: ok 17654
194: ok 17655
194: ok 17656
194: ok 17657
194: ok 17658
194: ok 17659
194: ok 17660
194: ok 17661
194: ok 17662
194: ok 17663
194: ok 17664
194: ok 17665
194: ok 17666
194: ok 17667
194: ok 17668
194: ok 17669
194: ok 17670
194: ok 17671
194: ok 17672
194: ok 17673
194: ok 17674
194: ok 17675
194: ok 17676
194: ok 17677
194: ok 17678
194: ok 17679
194: ok 17680
194: ok 17681
194: ok 17682
194: ok 17683
194: ok 17684
194: ok 17685
194: ok 17686
194: ok 17687
194: ok 17688
194: ok 17689
194: ok 17690
194: ok 17691
194: ok 17692
194: ok 17693
194: ok 17694
194: ok 17695
194: ok 17696
194: ok 17697
194: ok 17698
194: ok 17699
194: ok 17700
194: ok 17701
194: ok 17702
194: ok 17703
194: ok 17704
194: ok 17705
194: ok 17706
194: ok 17707
194: ok 17708
194: ok 17709
194: ok 17710
194: ok 17711
194: ok 17712
194: ok 17713
194: ok 17714
194: ok 17715
194: ok 17716
194: ok 17717
194: ok 17718
194: ok 17719
194: ok 17720
194: ok 17721
194: ok 17722
194: ok 17723
194: ok 17724
194: ok 17725
194: ok 17726
194: ok 17727
194: ok 17728
194: ok 17729
194: ok 17730
194: ok 17731
194: ok 17732
194: ok 17733
194: ok 17734
194: ok 17735
194: ok 17736
194: ok 17737
194: ok 17738
194: ok 17739
194: ok 17740
194: ok 17741
194: ok 17742
194: ok 17743
194: ok 17744
194: ok 17745
194: ok 17746
194: ok 17747
194: ok 17748
194: ok 17749
194: ok 17750
194: ok 17751
194: ok 17752
194: ok 17753
194: ok 17754
194: ok 17755
194: ok 17756
194: ok 17757
194: ok 17758
194: ok 17759
194: ok 17760
194: ok 17761
194: ok 17762
194: ok 17763
194: ok 17764
194: ok 17765
194: ok 17766
194: ok 17767
194: ok 17768
194: ok 17769
194: ok 17770
194: ok 17771
194: ok 17772
194: ok 17773
194: ok 17774
194: ok 17775
194: ok 17776
194: ok 17777
194: ok 17778
194: ok 17779
194: ok 17780
194: ok 17781
194: ok 17782
194: ok 17783
194: ok 17784
194: ok 17785
194: ok 17786
194: ok 17787
194: ok 17788
194: ok 17789
194: ok 17790
194: ok 17791
194: ok 17792
194: ok 17793
194: ok 17794
194: ok 17795
194: ok 17796
194: ok 17797
194: ok 17798
194: ok 17799
194: ok 17800
194: ok 17801
194: ok 17802
194: ok 17803
194: ok 17804
194: ok 17805
194: ok 17806
194: ok 17807
194: ok 17808
194: ok 17809
194: ok 17810
194: ok 17811
194: ok 17812
194: ok 17813
194: ok 17814
194: ok 17815
194: ok 17816
194: ok 17817
194: ok 17818
194: ok 17819
194: ok 17820
194: ok 17821
194: ok 17822
194: ok 17823
194: ok 17824
194: ok 17825
194: ok 17826
194: ok 17827
194: ok 17828
194: ok 17829
194: ok 17830
194: ok 17831
194: ok 17832
194: ok 17833
194: ok 17834
194: ok 17835
194: ok 17836
194: ok 17837
194: ok 17838
194: ok 17839
194: ok 17840
194: ok 17841
194: ok 17842
194: ok 17843
194: ok 17844
194: ok 17845
194: ok 17846
194: ok 17847
194: ok 17848
194: ok 17849
194: ok 17850
194: ok 17851
194: ok 17852
194: ok 17853
194: ok 17854
194: ok 17855
194: ok 17856
194: ok 17857
194: ok 17858
194: ok 17859
194: ok 17860
194: ok 17861
194: ok 17862
194: ok 17863
194: ok 17864
194: ok 17865
194: ok 17866
194: ok 17867
194: ok 17868
194: ok 17869
194: ok 17870
194: ok 17871
194: ok 17872
194: ok 17873
194: ok 17874
194: ok 17875
194: ok 17876
194: ok 17877
194: ok 17878
194: ok 17879
194: ok 17880
194: ok 17881
194: ok 17882
194: ok 17883
194: ok 17884
194: ok 17885
194: ok 17886
194: ok 17887
194: ok 17888
194: ok 17889
194: ok 17890
194: ok 17891
194: ok 17892
194: ok 17893
194: ok 17894
194: ok 17895
194: ok 17896
194: ok 17897
194: ok 17898
194: ok 17899
194: ok 17900
194: ok 17901
194: ok 17902
194: ok 17903
194: ok 17904
194: ok 17905
194: ok 17906
194: ok 17907
194: ok 17908
194: ok 17909
194: ok 17910
194: ok 17911
194: ok 17912
194: ok 17913
194: ok 17914
194: ok 17915
194: ok 17916
194: ok 17917
194: ok 17918
194: ok 17919
194: ok 17920
194: ok 17921
194: ok 17922
194: ok 17923
194: ok 17924
194: ok 17925
194: ok 17926
194: ok 17927
194: ok 17928
194: ok 17929
194: ok 17930
194: ok 17931
194: ok 17932
194: ok 17933
194: ok 17934
194: ok 17935
194: ok 17936
194: ok 17937
194: ok 17938
194: ok 17939
194: ok 17940
194: ok 17941
194: ok 17942
194: ok 17943
194: ok 17944
194: ok 17945
194: ok 17946
194: ok 17947
194: ok 17948
194: ok 17949
194: ok 17950
194: ok 17951
194: ok 17952
194: ok 17953
194: ok 17954
194: ok 17955
194: ok 17956
194: ok 17957
194: ok 17958
194: ok 17959
194: ok 17960
194: ok 17961
194: ok 17962
194: ok 17963
194: ok 17964
194: ok 17965
194: ok 17966
194: ok 17967
194: ok 17968
194: ok 17969
194: ok 17970
194: ok 17971
194: ok 17972
194: ok 17973
194: ok 17974
194: ok 17975
194: ok 17976
194: ok 17977
194: ok 17978
194: ok 17979
194: ok 17980
194: ok 17981
194: ok 17982
194: ok 17983
194: ok 17984
194: ok 17985
194: ok 17986
194: ok 17987
194: ok 17988
194: ok 17989
194: ok 17990
194: ok 17991
194: ok 17992
194: ok 17993
194: ok 17994
194: ok 17995
194: ok 17996
194: ok 17997
194: ok 17998
194: ok 17999
194: ok 18000
194: ok 18001
194: ok 18002
194: ok 18003
194: ok 18004
194: ok 18005
194: ok 18006
194: ok 18007
194: ok 18008
194: ok 18009
194: ok 18010
194: ok 18011
194: ok 18012
194: ok 18013
194: ok 18014
194: ok 18015
194: ok 18016
194: ok 18017
194: ok 18018
194: ok 18019
194: ok 18020
194: ok 18021
194: ok 18022
194: ok 18023
194: ok 18024
194: ok 18025
194: ok 18026
194: ok 18027
194: ok 18028
194: ok 18029
194: ok 18030
194: ok 18031
194: ok 18032
194: ok 18033
194: ok 18034
194: ok 18035
194: ok 18036
194: ok 18037
194: ok 18038
194: ok 18039
194: ok 18040
194: ok 18041
194: ok 18042
194: ok 18043
194: ok 18044
194: ok 18045
194: ok 18046
194: ok 18047
194: ok 18048
194: ok 18049
194: ok 18050
194: ok 18051
194: ok 18052
194: ok 18053
194: ok 18054
194: ok 18055
194: ok 18056
194: ok 18057
194: ok 18058
194: ok 18059
194: ok 18060
194: ok 18061
194: ok 18062
194: ok 18063
194: ok 18064
194: ok 18065
194: ok 18066
194: ok 18067
194: ok 18068
194: ok 18069
194: ok 18070
194: ok 18071
194: ok 18072
194: ok 18073
194: ok 18074
194: ok 18075
194: ok 18076
194: ok 18077
194: ok 18078
194: ok 18079
194: ok 18080
194: ok 18081
194: ok 18082
194: ok 18083
194: ok 18084
194: ok 18085
194: ok 18086
194: ok 18087
194: ok 18088
194: ok 18089
194: ok 18090
194: ok 18091
194: ok 18092
194: ok 18093
194: ok 18094
194: ok 18095
194: ok 18096
194: ok 18097
194: ok 18098
194: ok 18099
194: ok 18100
194: ok 18101
194: ok 18102
194: ok 18103
194: ok 18104
194: ok 18105
194: ok 18106
194: ok 18107
194: ok 18108
194: ok 18109
194: ok 18110
194: ok 18111
194: ok 18112
194: ok 18113
194: ok 18114
194: ok 18115
194: ok 18116
194: ok 18117
194: ok 18118
194: ok 18119
194: ok 18120
194: ok 18121
194: ok 18122
194: ok 18123
194: ok 18124
194: ok 18125
194: ok 18126
194: ok 18127
194: ok 18128
194: ok 18129
194: ok 18130
194: ok 18131
194: ok 18132
194: ok 18133
194: ok 18134
194: ok 18135
194: ok 18136
194: ok 18137
194: ok 18138
194: ok 18139
194: ok 18140
194: ok 18141
194: ok 18142
194: ok 18143
194: ok 18144
194: ok 18145
194: ok 18146
194: ok 18147
194: ok 18148
194: ok 18149
194: ok 18150
194: ok 18151
194: ok 18152
194: ok 18153
194: ok 18154
194: ok 18155
194: ok 18156
194: ok 18157
194: ok 18158
194: ok 18159
194: ok 18160
194: ok 18161
194: ok 18162
194: ok 18163
194: ok 18164
194: ok 18165
194: ok 18166
194: ok 18167
194: ok 18168
194: ok 18169
194: ok 18170
194: ok 18171
194: ok 18172
194: ok 18173
194: ok 18174
194: ok 18175
194: ok 18176
194: ok 18177
194: ok 18178
194: ok 18179
194: ok 18180
194: ok 18181
194: ok 18182
194: ok 18183
194: ok 18184
194: ok 18185
194: ok 18186
194: ok 18187
194: ok 18188
194: ok 18189
194: ok 18190
194: ok 18191
194: ok 18192
194: ok 18193
194: ok 18194
194: ok 18195
194: ok 18196
194: ok 18197
194: ok 18198
194: ok 18199
194: ok 18200
194: ok 18201
194: ok 18202
194: ok 18203
194: ok 18204
194: ok 18205
194: ok 18206
194: ok 18207
194: ok 18208
194: ok 18209
194: ok 18210
194: ok 18211
194: ok 18212
194: ok 18213
194: ok 18214
194: ok 18215
194: ok 18216
194: ok 18217
194: ok 18218
194: ok 18219
194: ok 18220
194: ok 18221
194: ok 18222
194: ok 18223
194: ok 18224
194: ok 18225
194: ok 18226
194: ok 18227
194: ok 18228
194: ok 18229
194: ok 18230
194: ok 18231
194: ok 18232
194: ok 18233
194: ok 18234
194: ok 18235
194: ok 18236
194: ok 18237
194: ok 18238
194: ok 18239
194: ok 18240
194: ok 18241
194: ok 18242
194: ok 18243
194: ok 18244
194: ok 18245
194: ok 18246
194: ok 18247
194: ok 18248
194: ok 18249
194: ok 18250
194: ok 18251
194: ok 18252
194: ok 18253
194: ok 18254
194: ok 18255
194: ok 18256
194: ok 18257
194: ok 18258
194: ok 18259
194: ok 18260
194: ok 18261
194: ok 18262
194: ok 18263
194: ok 18264
194: ok 18265
194: ok 18266
194: ok 18267
194: ok 18268
194: ok 18269
194: ok 18270
194: ok 18271
194: ok 18272
194: ok 18273
194: ok 18274
194: ok 18275
194: ok 18276
194: ok 18277
194: ok 18278
194: ok 18279
194: ok 18280
194: ok 18281
194: ok 18282
194: ok 18283
194: ok 18284
194: ok 18285
194: ok 18286
194: ok 18287
194: ok 18288
194: ok 18289
194: ok 18290
194: ok 18291
194: ok 18292
194: ok 18293
194: ok 18294
194: ok 18295
194: ok 18296
194: ok 18297
194: ok 18298
194: ok 18299
194: ok 18300
194: ok 18301
194: ok 18302
194: ok 18303
194: ok 18304
194: ok 18305
194: ok 18306
194: ok 18307
194: ok 18308
194: ok 18309
194: ok 18310
194: ok 18311
194: ok 18312
194: ok 18313
194: ok 18314
194: ok 18315
194: ok 18316
194: ok 18317
194: ok 18318
194: ok 18319
194: ok 18320
194: ok 18321
194: ok 18322
194: ok 18323
194: ok 18324
194: ok 18325
194: ok 18326
194: ok 18327
194: ok 18328
194: ok 18329
194: ok 18330
194: ok 18331
194: ok 18332
194: ok 18333
194: ok 18334
194: ok 18335
194: ok 18336
194: ok 18337
194: ok 18338
194: ok 18339
194: ok 18340
194: ok 18341
194: ok 18342
194: ok 18343
194: ok 18344
194: ok 18345
194: ok 18346
194: ok 18347
194: ok 18348
194: ok 18349
194: ok 18350
194: ok 18351
194: ok 18352
194: ok 18353
194: ok 18354
194: ok 18355
194: ok 18356
194: ok 18357
194: ok 18358
194: ok 18359
194: ok 18360
194: ok 18361
194: ok 18362
194: ok 18363
194: ok 18364
194: ok 18365
194: ok 18366
194: ok 18367
194: ok 18368
194: ok 18369
194: ok 18370
194: ok 18371
194: ok 18372
194: ok 18373
194: ok 18374
194: ok 18375
194: ok 18376
194: ok 18377
194: ok 18378
194: ok 18379
194: ok 18380
194: ok 18381
194: ok 18382
194: ok 18383
194: ok 18384
194: ok 18385
194: ok 18386
194: ok 18387
194: ok 18388
194: ok 18389
194: ok 18390
194: ok 18391
194: ok 18392
194: ok 18393
194: ok 18394
194: ok 18395
194: ok 18396
194: ok 18397
194: ok 18398
194: ok 18399
194: ok 18400
194: ok 18401
194: ok 18402
194: ok 18403
194: ok 18404
194: ok 18405
194: ok 18406
194: ok 18407
194: ok 18408
194: ok 18409
194: ok 18410
194: ok 18411
194: ok 18412
194: ok 18413
194: ok 18414
194: ok 18415
194: ok 18416
194: ok 18417
194: ok 18418
194: ok 18419
194: ok 18420
194: ok 18421
194: ok 18422
194: ok 18423
194: ok 18424
194: ok 18425
194: ok 18426
194: ok 18427
194: ok 18428
194: ok 18429
194: ok 18430
194: ok 18431
194: ok 18432
194: ok 18433
194: ok 18434
194: ok 18435
194: ok 18436
194: ok 18437
194: ok 18438
194: ok 18439
194: ok 18440
194: ok 18441
194: ok 18442
194: ok 18443
194: ok 18444
194: ok 18445
194: ok 18446
194: ok 18447
194: ok 18448
194: ok 18449
194: ok 18450
194: ok 18451
194: ok 18452
194: ok 18453
194: ok 18454
194: ok 18455
194: ok 18456
194: ok 18457
194: ok 18458
194: ok 18459
194: ok 18460
194: ok 18461
194: ok 18462
194: ok 18463
194: ok 18464
194: ok 18465
194: ok 18466
194: ok 18467
194: ok 18468
194: ok 18469
194: ok 18470
194: ok 18471
194: ok 18472
194: ok 18473
194: ok 18474
194: ok 18475
194: ok 18476
194: ok 18477
194: ok 18478
194: ok 18479
194: ok 18480
194: ok 18481
194: ok 18482
194: ok 18483
194: ok 18484
194: ok 18485
194: ok 18486
194: ok 18487
194: ok 18488
194: ok 18489
194: ok 18490
194: ok 18491
194: ok 18492
194: ok 18493
194: ok 18494
194: ok 18495
194: ok 18496
194: ok 18497
194: ok 18498
194: ok 18499
194: ok 18500
194: ok 18501
194: ok 18502
194: ok 18503
194: ok 18504
194: ok 18505
194: ok 18506
194: ok 18507
194: ok 18508
194: ok 18509
194: ok 18510
194: ok 18511
194: ok 18512
194: ok 18513
194: ok 18514
194: ok 18515
194: ok 18516
194: ok 18517
194: ok 18518
194: ok 18519
194: ok 18520
194: ok 18521
194: ok 18522
194: ok 18523
194: ok 18524
194: ok 18525
194: ok 18526
194: ok 18527
194: ok 18528
194: ok 18529
194: ok 18530
194: ok 18531
194: ok 18532
194: ok 18533
194: ok 18534
194: ok 18535
194: ok 18536
194: ok 18537
194: ok 18538
194: ok 18539
194: ok 18540
194: ok 18541
194: ok 18542
194: ok 18543
194: ok 18544
194: ok 18545
194: ok 18546
194: ok 18547
194: ok 18548
194: ok 18549
194: ok 18550
194: ok 18551
194: ok 18552
194: ok 18553
194: ok 18554
194: ok 18555
194: ok 18556
194: ok 18557
194: ok 18558
194: ok 18559
194: ok 18560
194: ok 18561
194: ok 18562
194: ok 18563
194: ok 18564
194: ok 18565
194: ok 18566
194: ok 18567
194: ok 18568
194: ok 18569
194: ok 18570
194: ok 18571
194: ok 18572
194: ok 18573
194: ok 18574
194: ok 18575
194: ok 18576
194: ok 18577
194: ok 18578
194: ok 18579
194: ok 18580
194: ok 18581
194: ok 18582
194: ok 18583
194: ok 18584
194: ok 18585
194: ok 18586
194: ok 18587
194: ok 18588
194: ok 18589
194: ok 18590
194: ok 18591
194: ok 18592
194: ok 18593
194: ok 18594
194: ok 18595
194: ok 18596
194: ok 18597
194: ok 18598
194: ok 18599
194: ok 18600
194: ok 18601
194: ok 18602
194: ok 18603
194: ok 18604
194: ok 18605
194: ok 18606
194: ok 18607
194: ok 18608
194: ok 18609
194: ok 18610
194: ok 18611
194: ok 18612
194: ok 18613
194: ok 18614
194: ok 18615
194: ok 18616
194: ok 18617
194: ok 18618
194: ok 18619
194: ok 18620
194: ok 18621
194: ok 18622
194: ok 18623
194: ok 18624
194: ok 18625
194: ok 18626
194: ok 18627
194: ok 18628
194: ok 18629
194: ok 18630
194: ok 18631
194: ok 18632
194: ok 18633
194: ok 18634
194: ok 18635
194: ok 18636
194: ok 18637
194: ok 18638
194: ok 18639
194: ok 18640
194: ok 18641
194: ok 18642
194: ok 18643
194: ok 18644
194: ok 18645
194: ok 18646
194: ok 18647
194: ok 18648
194: ok 18649
194: ok 18650
194: ok 18651
194: ok 18652
194: ok 18653
194: ok 18654
194: ok 18655
194: ok 18656
194: ok 18657
194: ok 18658
194: ok 18659
194: ok 18660
194: ok 18661
194: ok 18662
194: ok 18663
194: ok 18664
194: ok 18665
194: ok 18666
194: ok 18667
194: ok 18668
194: ok 18669
194: ok 18670
194: ok 18671
194: ok 18672
194: ok 18673
194: ok 18674
194: ok 18675
194: ok 18676
194: ok 18677
194: ok 18678
194: ok 18679
194: ok 18680
194: ok 18681
194: ok 18682
194: ok 18683
194: ok 18684
194: ok 18685
194: ok 18686
194: ok 18687
194: ok 18688
194: ok 18689
194: ok 18690
194: ok 18691
194: ok 18692
194: ok 18693
194: ok 18694
194: ok 18695
194: ok 18696
194: ok 18697
194: ok 18698
194: ok 18699
194: ok 18700
194: ok 18701
194: ok 18702
194: ok 18703
194: ok 18704
194: ok 18705
194: ok 18706
194: ok 18707
194: ok 18708
194: ok 18709
194: ok 18710
194: ok 18711
194: ok 18712
194: ok 18713
194: ok 18714
194: ok 18715
194: ok 18716
194: ok 18717
194: ok 18718
194: ok 18719
194: ok 18720
194: ok 18721
194: ok 18722
194: ok 18723
194: ok 18724
194: ok 18725
194: ok 18726
194: ok 18727
194: ok 18728
194: ok 18729
194: ok 18730
194: ok 18731
194: ok 18732
194: ok 18733
194: ok 18734
194: ok 18735
194: ok 18736
194: ok 18737
194: ok 18738
194: ok 18739
194: ok 18740
194: ok 18741
194: ok 18742
194: ok 18743
194: ok 18744
194: ok 18745
194: ok 18746
194: ok 18747
194: ok 18748
194: ok 18749
194: ok 18750
194: ok 18751
194: ok 18752
194: ok 18753
194: ok 18754
194: ok 18755
194: ok 18756
194: ok 18757
194: ok 18758
194: ok 18759
194: ok 18760
194: ok 18761
194: ok 18762
194: ok 18763
194: ok 18764
194: ok 18765
194: ok 18766
194: ok 18767
194: ok 18768
194: ok 18769
194: ok 18770
194: ok 18771
194: ok 18772
194: ok 18773
194: ok 18774
194: ok 18775
194: ok 18776
194: ok 18777
194: ok 18778
194: ok 18779
194: ok 18780
194: ok 18781
194: ok 18782
194: ok 18783
194: ok 18784
194: ok 18785
194: ok 18786
194: ok 18787
194: ok 18788
194: ok 18789
194: ok 18790
194: ok 18791
194: ok 18792
194: ok 18793
194: ok 18794
194: ok 18795
194: ok 18796
194: ok 18797
194: ok 18798
194: ok 18799
194: ok 18800
194: ok 18801
194: ok 18802
194: ok 18803
194: ok 18804
194: ok 18805
194: ok 18806
194: ok 18807
194: ok 18808
194: ok 18809
194: ok 18810
194: ok 18811
194: ok 18812
194: ok 18813
194: ok 18814
194: ok 18815
194: ok 18816
194: ok 18817
194: ok 18818
194: ok 18819
194: ok 18820
194: ok 18821
194: ok 18822
194: ok 18823
194: ok 18824
194: ok 18825
194: ok 18826
194: ok 18827
194: ok 18828
194: ok 18829
194: ok 18830
194: ok 18831
194: ok 18832
194: ok 18833
194: ok 18834
194: ok 18835
194: ok 18836
194: ok 18837
194: ok 18838
194: ok 18839
194: ok 18840
194: ok 18841
194: ok 18842
194: ok 18843
194: ok 18844
194: ok 18845
194: ok 18846
194: ok 18847
194: ok 18848
194: ok 18849
194: ok 18850
194: ok 18851
194: ok 18852
194: ok 18853
194: ok 18854
194: ok 18855
194: ok 18856
194: ok 18857
194: ok 18858
194: ok 18859
194: ok 18860
194: ok 18861
194: ok 18862
194: ok 18863
194: ok 18864
194: ok 18865
194: ok 18866
194: ok 18867
194: ok 18868
194: ok 18869
194: ok 18870
194: ok 18871
194: ok 18872
194: ok 18873
194: ok 18874
194: ok 18875
194: ok 18876
194: ok 18877
194: ok 18878
194: ok 18879
194: ok 18880
194: ok 18881
194: ok 18882
194: ok 18883
194: ok 18884
194: ok 18885
194: ok 18886
194: ok 18887
194: ok 18888
194: ok 18889
194: ok 18890
194: ok 18891
194: ok 18892
194: ok 18893
194: ok 18894
194: ok 18895
194: ok 18896
194: ok 18897
194: ok 18898
194: ok 18899
194: ok 18900
194: ok 18901
194: ok 18902
194: ok 18903
194: ok 18904
194: ok 18905
194: ok 18906
194: ok 18907
194: ok 18908
194: ok 18909
194: ok 18910
194: ok 18911
194: ok 18912
194: ok 18913
194: ok 18914
194: ok 18915
194: ok 18916
194: ok 18917
194: ok 18918
194: ok 18919
194: ok 18920
194: ok 18921
194: ok 18922
194: ok 18923
194: ok 18924
194: ok 18925
194: ok 18926
194: ok 18927
194: ok 18928
194: ok 18929
194: ok 18930
194: ok 18931
194: ok 18932
194: ok 18933
194: ok 18934
194: ok 18935
194: ok 18936
194: ok 18937
194: ok 18938
194: ok 18939
194: ok 18940
194: ok 18941
194: ok 18942
194: ok 18943
194: ok 18944
194: ok 18945
194: ok 18946
194: ok 18947
194: ok 18948
194: ok 18949
194: ok 18950
194: ok 18951
194: ok 18952
194: ok 18953
194: ok 18954
194: ok 18955
194: ok 18956
194: ok 18957
194: ok 18958
194: ok 18959
194: ok 18960
194: ok 18961
194: ok 18962
194: ok 18963
194: ok 18964
194: ok 18965
194: ok 18966
194: ok 18967
194: ok 18968
194: ok 18969
194: ok 18970
194: ok 18971
194: ok 18972
194: ok 18973
194: ok 18974
194: ok 18975
194: ok 18976
194: ok 18977
194: ok 18978
194: ok 18979
194: ok 18980
194: ok 18981
194: ok 18982
194: ok 18983
194: ok 18984
194: ok 18985
194: ok 18986
194: ok 18987
194: ok 18988
194: ok 18989
194: ok 18990
194: ok 18991
194: ok 18992
194: ok 18993
194: ok 18994
194: ok 18995
194: ok 18996
194: ok 18997
194: ok 18998
194: ok 18999
194: ok 19000
194: ok 19001
194: ok 19002
194: ok 19003
194: ok 19004
194: ok 19005
194: ok 19006
194: ok 19007
194: ok 19008
194: ok 19009
194: ok 19010
194: ok 19011
194: ok 19012
194: ok 19013
194: ok 19014
194: ok 19015
194: ok 19016
194: ok 19017
194: ok 19018
194: ok 19019
194: ok 19020
194: ok 19021
194: ok 19022
194: ok 19023
194: ok 19024
194: ok 19025
194: ok 19026
194: ok 19027
194: ok 19028
194: ok 19029
194: ok 19030
194: ok 19031
194: ok 19032
194: ok 19033
194: ok 19034
194: ok 19035
194: ok 19036
194: ok 19037
194: ok 19038
194: ok 19039
194: ok 19040
194: ok 19041
194: ok 19042
194: ok 19043
194: ok 19044
194: ok 19045
194: ok 19046
194: ok 19047
194: ok 19048
194: ok 19049
194: ok 19050
194: ok 19051
194: ok 19052
194: ok 19053
194: ok 19054
194: ok 19055
194: ok 19056
194: ok 19057
194: ok 19058
194: ok 19059
194: ok 19060
194: ok 19061
194: ok 19062
194: ok 19063
194: ok 19064
194: ok 19065
194: ok 19066
194: ok 19067
194: ok 19068
194: ok 19069
194: ok 19070
194: ok 19071
194: ok 19072
194: ok 19073
194: ok 19074
194: ok 19075
194: ok 19076
194: ok 19077
194: ok 19078
194: ok 19079
194: ok 19080
194: ok 19081
194: ok 19082
194: ok 19083
194: ok 19084
194: ok 19085
194: ok 19086
194: ok 19087
194: ok 19088
194: ok 19089
194: ok 19090
194: ok 19091
194: ok 19092
194: ok 19093
194: ok 19094
194: ok 19095
194: ok 19096
194: ok 19097
194: ok 19098
194: ok 19099
194: ok 19100
194: ok 19101
194: ok 19102
194: ok 19103
194: ok 19104
194: ok 19105
194: ok 19106
194: ok 19107
194: ok 19108
194: ok 19109
194: ok 19110
194: ok 19111
194: ok 19112
194: ok 19113
194: ok 19114
194: ok 19115
194: ok 19116
194: ok 19117
194: ok 19118
194: ok 19119
194: ok 19120
194: ok 19121
194: ok 19122
194: ok 19123
194: ok 19124
194: ok 19125
194: ok 19126
194: ok 19127
194: ok 19128
194: ok 19129
194: ok 19130
194: ok 19131
194: ok 19132
194: ok 19133
194: ok 19134
194: ok 19135
194: ok 19136
194: ok 19137
194: ok 19138
194: ok 19139
194: ok 19140
194: ok 19141
194: ok 19142
194: ok 19143
194: ok 19144
194: ok 19145
194: ok 19146
194: ok 19147
194: ok 19148
194: ok 19149
194: ok 19150
194: ok 19151
194: ok 19152
194: ok 19153
194: ok 19154
194: ok 19155
194: ok 19156
194: ok 19157
194: ok 19158
194: ok 19159
194: ok 19160
194: ok 19161
194: ok 19162
194: ok 19163
194: ok 19164
194: ok 19165
194: ok 19166
194: ok 19167
194: ok 19168
194: ok 19169
194: ok 19170
194: ok 19171
194: ok 19172
194: ok 19173
194: ok 19174
194: ok 19175
194: ok 19176
194: ok 19177
194: ok 19178
194: ok 19179
194: ok 19180
194: ok 19181
194: ok 19182
194: ok 19183
194: ok 19184
194: ok 19185
194: ok 19186
194: ok 19187
194: ok 19188
194: ok 19189
194: ok 19190
194: ok 19191
194: ok 19192
194: ok 19193
194: ok 19194
194: ok 19195
194: ok 19196
194: ok 19197
194: ok 19198
194: ok 19199
194: ok 19200
194: ok 19201
194: ok 19202
194: ok 19203
194: ok 19204
194: ok 19205
194: ok 19206
194: ok 19207
194: ok 19208
194: ok 19209
194: ok 19210
194: ok 19211
194: ok 19212
194: ok 19213
194: ok 19214
194: ok 19215
194: ok 19216
194: ok 19217
194: ok 19218
194: ok 19219
194: ok 19220
194: ok 19221
194: ok 19222
194: ok 19223
194: ok 19224
194: ok 19225
194: ok 19226
194: ok 19227
194: ok 19228
194: ok 19229
194: ok 19230
194: ok 19231
194: ok 19232
194: ok 19233
194: ok 19234
194: ok 19235
194: ok 19236
194: ok 19237
194: ok 19238
194: ok 19239
194: ok 19240
194: ok 19241
194: ok 19242
194: ok 19243
194: ok 19244
194: ok 19245
194: ok 19246
194: ok 19247
194: ok 19248
194: ok 19249
194: ok 19250
194: ok 19251
194: ok 19252
194: ok 19253
194: ok 19254
194: ok 19255
194: ok 19256
194: ok 19257
194: ok 19258
194: ok 19259
194: ok 19260
194: ok 19261
194: ok 19262
194: ok 19263
194: ok 19264
194: ok 19265
194: ok 19266
194: ok 19267
194: ok 19268
194: ok 19269
194: ok 19270
194: ok 19271
194: ok 19272
194: ok 19273
194: ok 19274
194: ok 19275
194: ok 19276
194: ok 19277
194: ok 19278
194: ok 19279
194: ok 19280
194: ok 19281
194: ok 19282
194: ok 19283
194: ok 19284
194: ok 19285
194: ok 19286
194: ok 19287
194: ok 19288
194: ok 19289
194: ok 19290
194: ok 19291
194: ok 19292
194: ok 19293
194: ok 19294
194: ok 19295
194: ok 19296
194: ok 19297
194: ok 19298
194: ok 19299
194: ok 19300
194: ok 19301
194: ok 19302
194: ok 19303
194: ok 19304
194: ok 19305
194: ok 19306
194: ok 19307
194: ok 19308
194: ok 19309
194: ok 19310
194: ok 19311
194: ok 19312
194: ok 19313
194: ok 19314
194: ok 19315
194: ok 19316
194: ok 19317
194: ok 19318
194: ok 19319
194: ok 19320
194: ok 19321
194: ok 19322
194: ok 19323
194: ok 19324
194: ok 19325
194: ok 19326
194: ok 19327
194: ok 19328
194: ok 19329
194: ok 19330
194: ok 19331
194: ok 19332
194: ok 19333
194: ok 19334
194: ok 19335
194: ok 19336
194: ok 19337
194: ok 19338
194: ok 19339
194: ok 19340
194: ok 19341
194: ok 19342
194: ok 19343
194: ok 19344
194: ok 19345
194: ok 19346
194: ok 19347
194: ok 19348
194: ok 19349
194: ok 19350
194: ok 19351
194: ok 19352
194: ok 19353
194: ok 19354
194: ok 19355
194: ok 19356
194: ok 19357
194: ok 19358
194: ok 19359
194: ok 19360
194: ok 19361
194: ok 19362
194: ok 19363
194: ok 19364
194: ok 19365
194: ok 19366
194: ok 19367
194: ok 19368
194: ok 19369
194: ok 19370
194: ok 19371
194: ok 19372
194: ok 19373
194: ok 19374
194: ok 19375
194: ok 19376
194: ok 19377
194: ok 19378
194: ok 19379
194: ok 19380
194: ok 19381
194: ok 19382
194: ok 19383
194: ok 19384
194: ok 19385
194: ok 19386
194: ok 19387
194: ok 19388
194: ok 19389
194: ok 19390
194: ok 19391
194: ok 19392
194: ok 19393
194: ok 19394
194: ok 19395
194: ok 19396
194: ok 19397
194: ok 19398
194: ok 19399
194: ok 19400
194: ok 19401
194: ok 19402
194: ok 19403
194: ok 19404
194: ok 19405
194: ok 19406
194: ok 19407
194: ok 19408
194: ok 19409
194: ok 19410
194: ok 19411
194: ok 19412
194: ok 19413
194: ok 19414
194: ok 19415
194: ok 19416
194: ok 19417
194: ok 19418
194: ok 19419
194: ok 19420
194: ok 19421
194: ok 19422
194: ok 19423
194: ok 19424
194: ok 19425
194: ok 19426
194: ok 19427
194: ok 19428
194: ok 19429
194: ok 19430
194: ok 19431
194: ok 19432
194: ok 19433
194: ok 19434
194: ok 19435
194: ok 19436
194: ok 19437
194: ok 19438
194: ok 19439
194: ok 19440
194: ok 19441
194: ok 19442
194: ok 19443
194: ok 19444
194: ok 19445
194: ok 19446
194: ok 19447
194: ok 19448
194: ok 19449
194: ok 19450
194: ok 19451
194: ok 19452
194: ok 19453
194: ok 19454
194: ok 19455
194: ok 19456
194: ok 19457
194: ok 19458
194: ok 19459
194: ok 19460
194: ok 19461
194: ok 19462
194: ok 19463
194: ok 19464
194: ok 19465
194: ok 19466
194: ok 19467
194: ok 19468
194: ok 19469
194: ok 19470
194: ok 19471
194: ok 19472
194: ok 19473
194: ok 19474
194: ok 19475
194: ok 19476
194: ok 19477
194: ok 19478
194: ok 19479
194: ok 19480
194: ok 19481
194: ok 19482
194: ok 19483
194: ok 19484
194: ok 19485
194: ok 19486
194: ok 19487
194: ok 19488
194: ok 19489
194: ok 19490
194: ok 19491
194: ok 19492
194: ok 19493
194: ok 19494
194: ok 19495
194: ok 19496
194: ok 19497
194: ok 19498
194: ok 19499
194: ok 19500
194: ok 19501
194: ok 19502
194: ok 19503
194: ok 19504
194: ok 19505
194: ok 19506
194: ok 19507
194: ok 19508
194: ok 19509
194: ok 19510
194: ok 19511
194: ok 19512
194: ok 19513
194: ok 19514
194: ok 19515
194: ok 19516
194: ok 19517
194: ok 19518
194: ok 19519
194: ok 19520
194: ok 19521
194: ok 19522
194: ok 19523
194: ok 19524
194: ok 19525
194: ok 19526
194: ok 19527
194: ok 19528
194: ok 19529
194: ok 19530
194: ok 19531
194: ok 19532
194: ok 19533
194: ok 19534
194: ok 19535
194: ok 19536
194: ok 19537
194: ok 19538
194: ok 19539
194: ok 19540
194: ok 19541
194: ok 19542
194: ok 19543
194: ok 19544
194: ok 19545
194: ok 19546
194: ok 19547
194: ok 19548
194: ok 19549
194: ok 19550
194: ok 19551
194: ok 19552
194: ok 19553
194: ok 19554
194: ok 19555
194: ok 19556
194: ok 19557
194: ok 19558
194: ok 19559
194: ok 19560
194: ok 19561
194: ok 19562
194: ok 19563
194: ok 19564
194: ok 19565
194: ok 19566
194: ok 19567
194: ok 19568
194: ok 19569
194: ok 19570
194: ok 19571
194: ok 19572
194: ok 19573
194: ok 19574
194: ok 19575
194: ok 19576
194: ok 19577
194: ok 19578
194: ok 19579
194: ok 19580
194: ok 19581
194: ok 19582
194: ok 19583
194: ok 19584
194: ok 19585
194: ok 19586
194: ok 19587
194: ok 19588
194: ok 19589
194: ok 19590
194: ok 19591
194: ok 19592
194: ok 19593
194: ok 19594
194: ok 19595
194: ok 19596
194: ok 19597
194: ok 19598
194: ok 19599
194: ok 19600
194: ok 19601
194: ok 19602
194: ok 19603
194: ok 19604
194: ok 19605
194: ok 19606
194: ok 19607
194: ok 19608
194: ok 19609
194: ok 19610
194: ok 19611
194: ok 19612
194: ok 19613
194: ok 19614
194: ok 19615
194: ok 19616
194: ok 19617
194: ok 19618
194: ok 19619
194: ok 19620
194: ok 19621
194: ok 19622
194: ok 19623
194: ok 19624
194: ok 19625
194: ok 19626
194: ok 19627
194: ok 19628
194: ok 19629
194: ok 19630
194: ok 19631
194: ok 19632
194: ok 19633
194: ok 19634
194: ok 19635
194: ok 19636
194: ok 19637
194: ok 19638
194: ok 19639
194: ok 19640
194: ok 19641
194: ok 19642
194: ok 19643
194: ok 19644
194: ok 19645
194: ok 19646
194: ok 19647
194: ok 19648
194: ok 19649
194: ok 19650
194: ok 19651
194: ok 19652
194: ok 19653
194: ok 19654
194: ok 19655
194: ok 19656
194: ok 19657
194: ok 19658
194: ok 19659
194: ok 19660
194: ok 19661
194: ok 19662
194: ok 19663
194: ok 19664
194: ok 19665
194: ok 19666
194: ok 19667
194: ok 19668
194: ok 19669
194: ok 19670
194: ok 19671
194: ok 19672
194: ok 19673
194: ok 19674
194: ok 19675
194: ok 19676
194: ok 19677
194: ok 19678
194: ok 19679
194: ok 19680
194: ok 19681
194: ok 19682
194: ok 19683
194: ok 19684
194: ok 19685
194: ok 19686
194: ok 19687
194: ok 19688
194: ok 19689
194: ok 19690
194: ok 19691
194: ok 19692
194: ok 19693
194: ok 19694
194: ok 19695
194: ok 19696
194: ok 19697
194: ok 19698
194: ok 19699
194: ok 19700
194: ok 19701
194: ok 19702
194: ok 19703
194: ok 19704
194: ok 19705
194: ok 19706
194: ok 19707
194: ok 19708
194: ok 19709
194: ok 19710
194: ok 19711
194: ok 19712
194: ok 19713
194: ok 19714
194: ok 19715
194: ok 19716
194: ok 19717
194: ok 19718
194: ok 19719
194: ok 19720
194: ok 19721
194: ok 19722
194: ok 19723
194: ok 19724
194: ok 19725
194: ok 19726
194: ok 19727
194: ok 19728
194: ok 19729
194: ok 19730
194: ok 19731
194: ok 19732
194: ok 19733
194: ok 19734
194: ok 19735
194: ok 19736
194: ok 19737
194: ok 19738
194: ok 19739
194: ok 19740
194: ok 19741
194: ok 19742
194: ok 19743
194: ok 19744
194: ok 19745
194: ok 19746
194: ok 19747
194: ok 19748
194: ok 19749
194: ok 19750
194: ok 19751
194: ok 19752
194: ok 19753
194: ok 19754
194: ok 19755
194: ok 19756
194: ok 19757
194: ok 19758
194: ok 19759
194: ok 19760
194: ok 19761
194: ok 19762
194: ok 19763
194: ok 19764
194: ok 19765
194: ok 19766
194: ok 19767
194: ok 19768
194: ok 19769
194: ok 19770
194: ok 19771
194: ok 19772
194: ok 19773
194: ok 19774
194: ok 19775
194: ok 19776
194: ok 19777
194: ok 19778
194: ok 19779
194: ok 19780
194: ok 19781
194: ok 19782
194: ok 19783
194: ok 19784
194: ok 19785
194: ok 19786
194: ok 19787
194: ok 19788
194: ok 19789
194: ok 19790
194: ok 19791
194: ok 19792
194: ok 19793
194: ok 19794
194: ok 19795
194: ok 19796
194: ok 19797
194: ok 19798
194: ok 19799
194: ok 19800
194: ok 19801
194: ok 19802
194: ok 19803
194: ok 19804
194: ok 19805
194: ok 19806
194: ok 19807
194: ok 19808
194: ok 19809
194: ok 19810
194: ok 19811
194: ok 19812
194: ok 19813
194: ok 19814
194: ok 19815
194: ok 19816
194: ok 19817
194: ok 19818
194: ok 19819
194: ok 19820
194: ok 19821
194: ok 19822
194: ok 19823
194: ok 19824
194: ok 19825
194: ok 19826
194: ok 19827
194: ok 19828
194: ok 19829
194: ok 19830
194: ok 19831
194: ok 19832
194: ok 19833
194: ok 19834
194: ok 19835
194: ok 19836
194: ok 19837
194: ok 19838
194: ok 19839
194: ok 19840
194: ok 19841
194: ok 19842
194: ok 19843
194: ok 19844
194: ok 19845
194: ok 19846
194: ok 19847
194: ok 19848
194: ok 19849
194: ok 19850
194: ok 19851
194: ok 19852
194: ok 19853
194: ok 19854
194: ok 19855
194: ok 19856
194: ok 19857
194: ok 19858
194: ok 19859
194: ok 19860
194: ok 19861
194: ok 19862
194: ok 19863
194: ok 19864
194: ok 19865
194: ok 19866
194: ok 19867
194: ok 19868
194: ok 19869
194: ok 19870
194: ok 19871
194: ok 19872
194: ok 19873
194: ok 19874
194: ok 19875
194: ok 19876
194: ok 19877
194: ok 19878
194: ok 19879
194: ok 19880
194: ok 19881
194: ok 19882
194: ok 19883
194: ok 19884
194: ok 19885
194: ok 19886
194: ok 19887
194: ok 19888
194: ok 19889
194: ok 19890
194: ok 19891
194: ok 19892
194: ok 19893
194: ok 19894
194: ok 19895
194: ok 19896
194: ok 19897
194: ok 19898
194: ok 19899
194: ok 19900
194: ok 19901
194: ok 19902
194: ok 19903
194: ok 19904
194: ok 19905
194: ok 19906
194: ok 19907
194: ok 19908
194: ok 19909
194: ok 19910
194: ok 19911
194: ok 19912
194: ok 19913
194: ok 19914
194: ok 19915
194: ok 19916
194: ok 19917
194: ok 19918
194: ok 19919
194: ok 19920
194: ok 19921
194: ok 19922
194: ok 19923
194: ok 19924
194: ok 19925
194: ok 19926
194: ok 19927
194: ok 19928
194: ok 19929
194: ok 19930
194: ok 19931
194: ok 19932
194: ok 19933
194: ok 19934
194: ok 19935
194: ok 19936
194: ok 19937
194: ok 19938
194: ok 19939
194: ok 19940
194: ok 19941
194: ok 19942
194: ok 19943
194: ok 19944
194: ok 19945
194: ok 19946
194: ok 19947
194: ok 19948
194: ok 19949
194: ok 19950
194: ok 19951
194: ok 19952
194: ok 19953
194: ok 19954
194: ok 19955
194: ok 19956
194: ok 19957
194: ok 19958
194: ok 19959
194: ok 19960
194: ok 19961
194: ok 19962
194: ok 19963
194: ok 19964
194: ok 19965
194: ok 19966
194: ok 19967
194: ok 19968
194: ok 19969
194: ok 19970
194: ok 19971
194: ok 19972
194: ok 19973
194: ok 19974
194: ok 19975
194: ok 19976
194: ok 19977
194: ok 19978
194: ok 19979
194: ok 19980
194: ok 19981
194: ok 19982
194: ok 19983
194: ok 19984
194: ok 19985
194: ok 19986
194: ok 19987
194: ok 19988
194: ok 19989
194: ok 19990
194: ok 19991
194: ok 19992
194: ok 19993
194: ok 19994
194: ok 19995
194: ok 19996
194: ok 19997
194: ok 19998
194: ok 19999
194: ok 20000
194: ok 20001
194: ok 20002
194: ok 20003
194: ok 20004
194: ok 20005
194: ok 20006
194: ok 20007
194: ok 20008
194: ok 20009
194: ok 20010
194: ok 20011
194: ok 20012
194: ok 20013
194: ok 20014
194: ok 20015
194: ok 20016
194: ok 20017
194: ok 20018
194: ok 20019
194: ok 20020
194: ok 20021
194: ok 20022
194: ok 20023
194: ok 20024
194: ok 20025
194: ok 20026
194: ok 20027
194: ok 20028
194: ok 20029
194: ok 20030
194: ok 20031
194: ok 20032
194: ok 20033
194: ok 20034
194: ok 20035
194: ok 20036
194: ok 20037
194: ok 20038
194: ok 20039
194: ok 20040
194: ok 20041
194: ok 20042
194: ok 20043
194: ok 20044
194: ok 20045
194: ok 20046
194: ok 20047
194: ok 20048
194: ok 20049
194: ok 20050
194: ok 20051
194: ok 20052
194: ok 20053
194: ok 20054
194: ok 20055
194: ok 20056
194: ok 20057
194: ok 20058
194: ok 20059
194: ok 20060
194: ok 20061
194: ok 20062
194: ok 20063
194: ok 20064
194: ok 20065
194: ok 20066
194: ok 20067
194: ok 20068
194: ok 20069
194: ok 20070
194: ok 20071
194: ok 20072
194: ok 20073
194: ok 20074
194: ok 20075
194: ok 20076
194: ok 20077
194: ok 20078
194: ok 20079
194: ok 20080
194: ok 20081
194: ok 20082
194: ok 20083
194: ok 20084
194: ok 20085
194: ok 20086
194: ok 20087
194: ok 20088
194: ok 20089
194: ok 20090
194: ok 20091
194: ok 20092
194: ok 20093
194: ok 20094
194: ok 20095
194: ok 20096
194: ok 20097
194: ok 20098
194: ok 20099
194: ok 20100
194: ok 20101
194: ok 20102
194: ok 20103
194: ok 20104
194: ok 20105
194: ok 20106
194: ok 20107
194: ok 20108
194: ok 20109
194: ok 20110
194: ok 20111
194: ok 20112
194: ok 20113
194: ok 20114
194: ok 20115
194: ok 20116
194: ok 20117
194: ok 20118
194: ok 20119
194: ok 20120
194: ok 20121
194: ok 20122
194: ok 20123
194: ok 20124
194: ok 20125
194: ok 20126
194: ok 20127
194: ok 20128
194: ok 20129
194: ok 20130
194: ok 20131
194: ok 20132
194: ok 20133
194: ok 20134
194: ok 20135
194: ok 20136
194: ok 20137
194: ok 20138
194: ok 20139
194: ok 20140
194: ok 20141
194: ok 20142
194: ok 20143
194: ok 20144
194: ok 20145
194: ok 20146
194: ok 20147
194: ok 20148
194: ok 20149
194: ok 20150
194: ok 20151
194: ok 20152
194: ok 20153
194: ok 20154
194: ok 20155
194: ok 20156
194: ok 20157
194: ok 20158
194: ok 20159
194: ok 20160
194: ok 20161
194: ok 20162
194: ok 20163
194: ok 20164
194: ok 20165
194: ok 20166
194: ok 20167
194: ok 20168
194: ok 20169
194: ok 20170
194: ok 20171
194: ok 20172
194: ok 20173
194: ok 20174
194: ok 20175
194: ok 20176
194: ok 20177
194: ok 20178
194: ok 20179
194: ok 20180
194: ok 20181
194: ok 20182
194: ok 20183
194: ok 20184
194: ok 20185
194: ok 20186
194: ok 20187
194: ok 20188
194: ok 20189
194: ok 20190
194: ok 20191
194: ok 20192
194: ok 20193
194: ok 20194
194: ok 20195
194: ok 20196
194: ok 20197
194: ok 20198
194: ok 20199
194: ok 20200
194: ok 20201
194: ok 20202
194: ok 20203
194: ok 20204
194: ok 20205
194: ok 20206
194: ok 20207
194: ok 20208
194: ok 20209
194: ok 20210
194: ok 20211
194: ok 20212
194: ok 20213
194: ok 20214
194: ok 20215
194: ok 20216
194: ok 20217
194: ok 20218
194: ok 20219
194: ok 20220
194: ok 20221
194: ok 20222
194: ok 20223
194: ok 20224
194: ok 20225
194: ok 20226
194: ok 20227
194: ok 20228
194: ok 20229
194: ok 20230
194: ok 20231
194: ok 20232
194: ok 20233
194: ok 20234
194: ok 20235
194: ok 20236
194: ok 20237
194: ok 20238
194: ok 20239
194: ok 20240
194: ok 20241
194: ok 20242
194: ok 20243
194: ok 20244
194: ok 20245
194: ok 20246
194: ok 20247
194: ok 20248
194: ok 20249
194: ok 20250
194: ok 20251
194: ok 20252
194: ok 20253
194: ok 20254
194: ok 20255
194: ok 20256
194: ok 20257
194: ok 20258
194: ok 20259
194: ok 20260
194: ok 20261
194: ok 20262
194: ok 20263
194: ok 20264
194: ok 20265
194: ok 20266
194: ok 20267
194: ok 20268
194: ok 20269
194: ok 20270
194: ok 20271
194: ok 20272
194: ok 20273
194: ok 20274
194: ok 20275
194: ok 20276
194: ok 20277
194: ok 20278
194: ok 20279
194: ok 20280
194: ok 20281
194: ok 20282
194: ok 20283
194: ok 20284
194: ok 20285
194: ok 20286
194: ok 20287
194: ok 20288
194: ok 20289
194: ok 20290
194: ok 20291
194: ok 20292
194: ok 20293
194: ok 20294
194: ok 20295
194: ok 20296
194: ok 20297
194: ok 20298
194: ok 20299
194: ok 20300
194: ok 20301
194: ok 20302
194: ok 20303
194: ok 20304
194: ok 20305
194: ok 20306
194: ok 20307
194: ok 20308
194: ok 20309
194: ok 20310
194: ok 20311
194: ok 20312
194: ok 20313
194: ok 20314
194: ok 20315
194: ok 20316
194: ok 20317
194: ok 20318
194: ok 20319
194: ok 20320
194: ok 20321
194: ok 20322
194: ok 20323
194: ok 20324
194: ok 20325
194: ok 20326
194: ok 20327
194: ok 20328
194: ok 20329
194: ok 20330
194: ok 20331
194: ok 20332
194: ok 20333
194: ok 20334
194: ok 20335
194: ok 20336
194: ok 20337
194: ok 20338
194: ok 20339
194: ok 20340
194: ok 20341
194: ok 20342
194: ok 20343
194: ok 20344
194: ok 20345
194: ok 20346
194: ok 20347
194: ok 20348
194: ok 20349
194: ok 20350
194: ok 20351
194: ok 20352
194: ok 20353
194: ok 20354
194: ok 20355
194: ok 20356
194: ok 20357
194: ok 20358
194: ok 20359
194: ok 20360
194: ok 20361
194: ok 20362
194: ok 20363
194: ok 20364
194: ok 20365
194: ok 20366
194: ok 20367
194: ok 20368
194: ok 20369
194: ok 20370
194: ok 20371
194: ok 20372
194: ok 20373
194: ok 20374
194: ok 20375
194: ok 20376
194: ok 20377
194: ok 20378
194: ok 20379
194: ok 20380
194: ok 20381
194: ok 20382
194: ok 20383
194: ok 20384
194: ok 20385
194: ok 20386
194: ok 20387
194: ok 20388
194: ok 20389
194: ok 20390
194: ok 20391
194: ok 20392
194: ok 20393
194: ok 20394
194: ok 20395
194: ok 20396
194: ok 20397
194: ok 20398
194: ok 20399
194: ok 20400
194: ok 20401
194: ok 20402
194: ok 20403
194: ok 20404
194: ok 20405
194: ok 20406
194: ok 20407
194: ok 20408
194: ok 20409
194: ok 20410
194: ok 20411
194: ok 20412
194: ok 20413
194: ok 20414
194: ok 20415
194: ok 20416
194: ok 20417
194: ok 20418
194: ok 20419
194: ok 20420
194: ok 20421
194: ok 20422
194: ok 20423
194: ok 20424
194: ok 20425
194: ok 20426
194: ok 20427
194: ok 20428
194: ok 20429
194: ok 20430
194: ok 20431
194: ok 20432
194: ok 20433
194: ok 20434
194: ok 20435
194: ok 20436
194: ok 20437
194: ok 20438
194: ok 20439
194: ok 20440
194: ok 20441
194: ok 20442
194: ok 20443
194: ok 20444
194: ok 20445
194: ok 20446
194: ok 20447
194: ok 20448
194: ok 20449
194: ok 20450
194: ok 20451
194: ok 20452
194: ok 20453
194: ok 20454
194: ok 20455
194: ok 20456
194: ok 20457
194: ok 20458
194: ok 20459
194: ok 20460
194: ok 20461
194: ok 20462
194: ok 20463
194: ok 20464
194: ok 20465
194: ok 20466
194: ok 20467
194: ok 20468
194: ok 20469
194: ok 20470
194: ok 20471
194: ok 20472
194: ok 20473
194: ok 20474
194: ok 20475
194: ok 20476
194: ok 20477
194: ok 20478
194: ok 20479
194: ok 20480
194: ok 20481
194: ok 20482
194: ok 20483
194: ok 20484
194: ok 20485
194: ok 20486
194: ok 20487
194: ok 20488
194: ok 20489
194: ok 20490
194: ok 20491
194: ok 20492
194: ok 20493
194: ok 20494
194: ok 20495
194: ok 20496
194: ok 20497
194: ok 20498
194: ok 20499
194: ok 20500
194: ok 20501
194: ok 20502
194: ok 20503
194: ok 20504
194: ok 20505
194: ok 20506
194: ok 20507
194: ok 20508
194: ok 20509
194: ok 20510
194: ok 20511
194: ok 20512
194: ok 20513
194: ok 20514
194: ok 20515
194: ok 20516
194: ok 20517
194: ok 20518
194: ok 20519
194: ok 20520
194: ok 20521
194: ok 20522
194: ok 20523
194: ok 20524
194: ok 20525
194: ok 20526
194: ok 20527
194: ok 20528
194: ok 20529
194: ok 20530
194: ok 20531
194: ok 20532
194: ok 20533
194: ok 20534
194: ok 20535
194: ok 20536
194: ok 20537
194: ok 20538
194: ok 20539
194: ok 20540
194: ok 20541
194: ok 20542
194: ok 20543
194: ok 20544
194: ok 20545
194: ok 20546
194: ok 20547
194: ok 20548
194: ok 20549
194: ok 20550
194: ok 20551
194: ok 20552
194: ok 20553
194: ok 20554
194: ok 20555
194: ok 20556
194: ok 20557
194: ok 20558
194: ok 20559
194: ok 20560
194: ok 20561
194: ok 20562
194: ok 20563
194: ok 20564
194: ok 20565
194: ok 20566
194: ok 20567
194: ok 20568
194: ok 20569
194: ok 20570
194: ok 20571
194: ok 20572
194: ok 20573
194: ok 20574
194: ok 20575
194: ok 20576
194: ok 20577
194: ok 20578
194: ok 20579
194: ok 20580
194: ok 20581
194: ok 20582
194: ok 20583
194: ok 20584
194: ok 20585
194: ok 20586
194: ok 20587
194: ok 20588
194: ok 20589
194: ok 20590
194: ok 20591
194: ok 20592
194: ok 20593
194: ok 20594
194: ok 20595
194: ok 20596
194: ok 20597
194: ok 20598
194: ok 20599
194: ok 20600
194: ok 20601
194: ok 20602
194: ok 20603
194: ok 20604
194: ok 20605
194: ok 20606
194: ok 20607
194: ok 20608
194: ok 20609
194: ok 20610
194: ok 20611
194: ok 20612
194: ok 20613
194: ok 20614
194: ok 20615
194: ok 20616
194: ok 20617
194: ok 20618
194: ok 20619
194: ok 20620
194: ok 20621
194: ok 20622
194: ok 20623
194: ok 20624
194: ok 20625
194: ok 20626
194: ok 20627
194: ok 20628
194: ok 20629
194: ok 20630
194: ok 20631
194: ok 20632
194: ok 20633
194: ok 20634
194: ok 20635
194: ok 20636
194: ok 20637
194: ok 20638
194: ok 20639
194: ok 20640
194: ok 20641
194: ok 20642
194: ok 20643
194: ok 20644
194: ok 20645
194: ok 20646
194: ok 20647
194: ok 20648
194: ok 20649
194: ok 20650
194: ok 20651
194: ok 20652
194: ok 20653
194: ok 20654
194: ok 20655
194: ok 20656
194: ok 20657
194: ok 20658
194: ok 20659
194: ok 20660
194: ok 20661
194: ok 20662
194: ok 20663
194: ok 20664
194: ok 20665
194: ok 20666
194: ok 20667
194: ok 20668
194: ok 20669
194: ok 20670
194: ok 20671
194: ok 20672
194: ok 20673
194: ok 20674
194: ok 20675
194: ok 20676
194: ok 20677
194: ok 20678
194: ok 20679
194: ok 20680
194: ok 20681
194: ok 20682
194: ok 20683
194: ok 20684
194: ok 20685
194: ok 20686
194: ok 20687
194: ok 20688
194: ok 20689
194: ok 20690
194: ok 20691
194: ok 20692
194: ok 20693
194: ok 20694
194: ok 20695
194: ok 20696
194: ok 20697
194: ok 20698
194: ok 20699
194: ok 20700
194: ok 20701
194: ok 20702
194: ok 20703
194: ok 20704
194: ok 20705
194: ok 20706
194: ok 20707
194: ok 20708
194: ok 20709
194: ok 20710
194: ok 20711
194: ok 20712
194: ok 20713
194: ok 20714
194: ok 20715
194: ok 20716
194: ok 20717
194: ok 20718
194: ok 20719
194: ok 20720
194: ok 20721
194: ok 20722
194: ok 20723
194: ok 20724
194: ok 20725
194: ok 20726
194: ok 20727
194: ok 20728
194: ok 20729
194: ok 20730
194: ok 20731
194: ok 20732
194: ok 20733
194: ok 20734
194: ok 20735
194: ok 20736
194: ok 20737
194: ok 20738
194: ok 20739
194: ok 20740
194: ok 20741
194: ok 20742
194: ok 20743
194: ok 20744
194: ok 20745
194: ok 20746
194: ok 20747
194: ok 20748
194: ok 20749
194: ok 20750
194: ok 20751
194: ok 20752
194: ok 20753
194: ok 20754
194: ok 20755
194: ok 20756
194: ok 20757
194: ok 20758
194: ok 20759
194: ok 20760
194: ok 20761
194: ok 20762
194: ok 20763
194: ok 20764
194: ok 20765
194: ok 20766
194: ok 20767
194: ok 20768
194: ok 20769
194: ok 20770
194: ok 20771
194: ok 20772
194: ok 20773
194: ok 20774
194: ok 20775
194: ok 20776
194: ok 20777
194: ok 20778
194: ok 20779
194: ok 20780
194: ok 20781
194: ok 20782
194: ok 20783
194: ok 20784
194: ok 20785
194: ok 20786
194: ok 20787
194: ok 20788
194: ok 20789
194: ok 20790
194: ok 20791
194: ok 20792
194: ok 20793
194: ok 20794
194: ok 20795
194: ok 20796
194: ok 20797
194: ok 20798
194: ok 20799
194: ok 20800
194: ok 20801
194: ok 20802
194: ok 20803
194: ok 20804
194: ok 20805
194: ok 20806
194: ok 20807
194: ok 20808
194: ok 20809
194: ok 20810
194: ok 20811
194: ok 20812
194: ok 20813
194: ok 20814
194: ok 20815
194: ok 20816
194: ok 20817
194: ok 20818
194: ok 20819
194: ok 20820
194: ok 20821
194: ok 20822
194: ok 20823
194: ok 20824
194: ok 20825
194: ok 20826
194: ok 20827
194: ok 20828
194: ok 20829
194: ok 20830
194: ok 20831
194: ok 20832
194: ok 20833
194: ok 20834
194: ok 20835
194: ok 20836
194: ok 20837
194: ok 20838
194: ok 20839
194: ok 20840
194: ok 20841
194: ok 20842
194: ok 20843
194: ok 20844
194: ok 20845
194: ok 20846
194: ok 20847
194: ok 20848
194: ok 20849
194: ok 20850
194: ok 20851
194: ok 20852
194: ok 20853
194: ok 20854
194: ok 20855
194: ok 20856
194: ok 20857
194: ok 20858
194: ok 20859
194: ok 20860
194: ok 20861
194: ok 20862
194: ok 20863
194: ok 20864
194: ok 20865
194: ok 20866
194: ok 20867
194: ok 20868
194: ok 20869
194: ok 20870
194: ok 20871
194: ok 20872
194: ok 20873
194: ok 20874
194: ok 20875
194: ok 20876
194: ok 20877
194: ok 20878
194: ok 20879
194: ok 20880
194: ok 20881
194: ok 20882
194: ok 20883
194: ok 20884
194: ok 20885
194: ok 20886
194: ok 20887
194: ok 20888
194: ok 20889
194: ok 20890
194: ok 20891
194: ok 20892
194: ok 20893
194: ok 20894
194: ok 20895
194: ok 20896
194: ok 20897
194: ok 20898
194: ok 20899
194: ok 20900
194: ok 20901
194: ok 20902
194: ok 20903
194: ok 20904
194: ok 20905
194: ok 20906
194: ok 20907
194: ok 20908
194: ok 20909
194: ok 20910
194: ok 20911
194: ok 20912
194: ok 20913
194: ok 20914
194: ok 20915
194: ok 20916
194: ok 20917
194: ok 20918
194: ok 20919
194: ok 20920
194: ok 20921
194: ok 20922
194: ok 20923
194: ok 20924
194: ok 20925
194: ok 20926
194: ok 20927
194: ok 20928
194: ok 20929
194: ok 20930
194: ok 20931
194: ok 20932
194: ok 20933
194: ok 20934
194: ok 20935
194: ok 20936
194: ok 20937
194: ok 20938
194: ok 20939
194: ok 20940
194: ok 20941
194: ok 20942
194: ok 20943
194: ok 20944
194: ok 20945
194: ok 20946
194: ok 20947
194: ok 20948
194: ok 20949
194: ok 20950
194: ok 20951
194: ok 20952
194: ok 20953
194: ok 20954
194: ok 20955
194: ok 20956
194: ok 20957
194: ok 20958
194: ok 20959
194: ok 20960
194: ok 20961
194: ok 20962
194: ok 20963
194: ok 20964
194: ok 20965
194: ok 20966
194: ok 20967
194: ok 20968
194: ok 20969
194: ok 20970
194: ok 20971
194: ok 20972
194: ok 20973
194: ok 20974
194: ok 20975
194: ok 20976
194: ok 20977
194: ok 20978
194: ok 20979
194: ok 20980
194: ok 20981
194: ok 20982
194: ok 20983
194: ok 20984
194: ok 20985
194: ok 20986
194: ok 20987
194: ok 20988
194: ok 20989
194: ok 20990
194: ok 20991
194: ok 20992
194: ok 20993
194: ok 20994
194: ok 20995
194: ok 20996
194: ok 20997
194: ok 20998
194: ok 20999
194: ok 21000
194: ok 21001
194: ok 21002
194: ok 21003
194: ok 21004
194: ok 21005
194: ok 21006
194: ok 21007
194: ok 21008
194: ok 21009
194: ok 21010
194: ok 21011
194: ok 21012
194: ok 21013
194: ok 21014
194: ok 21015
194: ok 21016
194: ok 21017
194: ok 21018
194: ok 21019
194: ok 21020
194: ok 21021
194: ok 21022
194: ok 21023
194: ok 21024
194: ok 21025
194: ok 21026
194: ok 21027
194: ok 21028
194: ok 21029
194: ok 21030
194: ok 21031
194: ok 21032
194: ok 21033
194: ok 21034
194: ok 21035
194: ok 21036
194: ok 21037
194: ok 21038
194: ok 21039
194: ok 21040
194: ok 21041
194: ok 21042
194: ok 21043
194: ok 21044
194: ok 21045
194: ok 21046
194: ok 21047
194: ok 21048
194: ok 21049
194: ok 21050
194: ok 21051
194: ok 21052
194: ok 21053
194: ok 21054
194: ok 21055
194: ok 21056
194: ok 21057
194: ok 21058
194: ok 21059
194: ok 21060
194: ok 21061
194: ok 21062
194: ok 21063
194: ok 21064
194: ok 21065
194: ok 21066
194: ok 21067
194: ok 21068
194: ok 21069
194: ok 21070
194: ok 21071
194: ok 21072
194: ok 21073
194: ok 21074
194: ok 21075
194: ok 21076
194: ok 21077
194: ok 21078
194: ok 21079
194: ok 21080
194: ok 21081
194: ok 21082
194: ok 21083
194: ok 21084
194: ok 21085
194: ok 21086
194: ok 21087
194: ok 21088
194: ok 21089
194: ok 21090
194: ok 21091
194: ok 21092
194: ok 21093
194: ok 21094
194: ok 21095
194: ok 21096
194: ok 21097
194: ok 21098
194: ok 21099
194: ok 21100
194: ok 21101
194: ok 21102
194: ok 21103
194: ok 21104
194: ok 21105
194: ok 21106
194: ok 21107
194: ok 21108
194: ok 21109
194: ok 21110
194: ok 21111
194: ok 21112
194: ok 21113
194: ok 21114
194: ok 21115
194: ok 21116
194: ok 21117
194: ok 21118
194: ok 21119
194: ok 21120
194: ok 21121
194: ok 21122
194: ok 21123
194: ok 21124
194: ok 21125
194: ok 21126
194: ok 21127
194: ok 21128
194: ok 21129
194: ok 21130
194: ok 21131
194: ok 21132
194: ok 21133
194: ok 21134
194: ok 21135
194: ok 21136
194: ok 21137
194: ok 21138
194: ok 21139
194: ok 21140
194: ok 21141
194: ok 21142
194: ok 21143
194: ok 21144
194: ok 21145
194: ok 21146
194: ok 21147
194: ok 21148
194: ok 21149
194: ok 21150
194: ok 21151
194: ok 21152
194: ok 21153
194: ok 21154
194: ok 21155
194: ok 21156
194: ok 21157
194: ok 21158
194: ok 21159
194: ok 21160
194: ok 21161
194: ok 21162
194: ok 21163
194: ok 21164
194: ok 21165
194: ok 21166
194: ok 21167
194: ok 21168
194: ok 21169
194: ok 21170
194: ok 21171
194: ok 21172
194: ok 21173
194: ok 21174
194: ok 21175
194: ok 21176
194: ok 21177
194: ok 21178
194: ok 21179
194: ok 21180
194: ok 21181
194: ok 21182
194: ok 21183
194: ok 21184
194: ok 21185
194: ok 21186
194: ok 21187
194: ok 21188
194: ok 21189
194: ok 21190
194: ok 21191
194: ok 21192
194: ok 21193
194: ok 21194
194: ok 21195
194: ok 21196
194: ok 21197
194: ok 21198
194: ok 21199
194: ok 21200
194: ok 21201
194: ok 21202
194: ok 21203
194: ok 21204
194: ok 21205
194: ok 21206
194: ok 21207
194: ok 21208
194: ok 21209
194: ok 21210
194: ok 21211
194: ok 21212
194: ok 21213
194: ok 21214
194: ok 21215
194: ok 21216
194: ok 21217
194: ok 21218
194: ok 21219
194: ok 21220
194: ok 21221
194: ok 21222
194: ok 21223
194: ok 21224
194: ok 21225
194: ok 21226
194: ok 21227
194: ok 21228
194: ok 21229
194: ok 21230
194: ok 21231
194: ok 21232
194: ok 21233
194: ok 21234
194: ok 21235
194: ok 21236
194: ok 21237
194: ok 21238
194: ok 21239
194: ok 21240
194: ok 21241
194: ok 21242
194: ok 21243
194: ok 21244
194: ok 21245
194: ok 21246
194: ok 21247
194: ok 21248
194: ok 21249
194: ok 21250
194: ok 21251
194: ok 21252
194: ok 21253
194: ok 21254
194: ok 21255
194: ok 21256
194: ok 21257
194: ok 21258
194: ok 21259
194: ok 21260
194: ok 21261
194: ok 21262
194: ok 21263
194: ok 21264
194: ok 21265
194: ok 21266
194: ok 21267
194: ok 21268
194: ok 21269
194: ok 21270
194: ok 21271
194: ok 21272
194: ok 21273
194: ok 21274
194: ok 21275
194: ok 21276
194: ok 21277
194: ok 21278
194: ok 21279
194: ok 21280
194: ok 21281
194: ok 21282
194: ok 21283
194: ok 21284
194: ok 21285
194: ok 21286
194: ok 21287
194: ok 21288
194: ok 21289
194: ok 21290
194: ok 21291
194: ok 21292
194: ok 21293
194: ok 21294
194: ok 21295
194: ok 21296
194: ok 21297
194: ok 21298
194: ok 21299
194: ok 21300
194: ok 21301
194: ok 21302
194: ok 21303
194: ok 21304
194: ok 21305
194: ok 21306
194: ok 21307
194: ok 21308
194: ok 21309
194: ok 21310
194: ok 21311
194: ok 21312
194: ok 21313
194: ok 21314
194: ok 21315
194: ok 21316
194: ok 21317
194: ok 21318
194: ok 21319
194: ok 21320
194: ok 21321
194: ok 21322
194: ok 21323
194: ok 21324
194: ok 21325
194: ok 21326
194: ok 21327
194: ok 21328
194: ok 21329
194: ok 21330
194: ok 21331
194: ok 21332
194: ok 21333
194: ok 21334
194: ok 21335
194: ok 21336
194: ok 21337
194: ok 21338
194: ok 21339
194: ok 21340
194: ok 21341
194: ok 21342
194: ok 21343
194: ok 21344
194: ok 21345
194: ok 21346
194: ok 21347
194: ok 21348
194: ok 21349
194: ok 21350
194: ok 21351
194: ok 21352
194: ok 21353
194: ok 21354
194: ok 21355
194: ok 21356
194: ok 21357
194: ok 21358
194: ok 21359
194: ok 21360
194: ok 21361
194: ok 21362
194: ok 21363
194: ok 21364
194: ok 21365
194: ok 21366
194: ok 21367
194: ok 21368
194: ok 21369
194: ok 21370
194: ok 21371
194: ok 21372
194: ok 21373
194: ok 21374
194: ok 21375
194: ok 21376
194: ok 21377
194: ok 21378
194: ok 21379
194: ok 21380
194: ok 21381
194: ok 21382
194: ok 21383
194: ok 21384
194: ok 21385
194: ok 21386
194: ok 21387
194: ok 21388
194: ok 21389
194: ok 21390
194: ok 21391
194: ok 21392
194: ok 21393
194: ok 21394
194: ok 21395
194: ok 21396
194: ok 21397
194: ok 21398
194: ok 21399
194: ok 21400
194: ok 21401
194: ok 21402
194: ok 21403
194: ok 21404
194: ok 21405
194: ok 21406
194: ok 21407
194: ok 21408
194: ok 21409
194: ok 21410
194: ok 21411
194: ok 21412
194: ok 21413
194: ok 21414
194: ok 21415
194: ok 21416
194: ok 21417
194: ok 21418
194: ok 21419
194: ok 21420
194: ok 21421
194: ok 21422
194: ok 21423
194: ok 21424
194: ok 21425
194: ok 21426
194: ok 21427
194: ok 21428
194: ok 21429
194: ok 21430
194: ok 21431
194: ok 21432
194: ok 21433
194: ok 21434
194: ok 21435
194: ok 21436
194: ok 21437
194: ok 21438
194: ok 21439
194: ok 21440
194: ok 21441
194: ok 21442
194: ok 21443
194: ok 21444
194: ok 21445
194: ok 21446
194: ok 21447
194: ok 21448
194: ok 21449
194: ok 21450
194: ok 21451
194: ok 21452
194: ok 21453
194: ok 21454
194: ok 21455
194: ok 21456
194: ok 21457
194: ok 21458
194: ok 21459
194: ok 21460
194: ok 21461
194: ok 21462
194: ok 21463
194: ok 21464
194: ok 21465
194: ok 21466
194: ok 21467
194: ok 21468
194: ok 21469
194: ok 21470
194: ok 21471
194: ok 21472
194: ok 21473
194: ok 21474
194: ok 21475
194: ok 21476
194: ok 21477
194: ok 21478
194: ok 21479
194: ok 21480
194: ok 21481
194: ok 21482
194: ok 21483
194: ok 21484
194: ok 21485
194: ok 21486
194: ok 21487
194: ok 21488
194: ok 21489
194: ok 21490
194: ok 21491
194: ok 21492
194: ok 21493
194: ok 21494
194: ok 21495
194: ok 21496
194: ok 21497
194: ok 21498
194: ok 21499
194: ok 21500
194: ok 21501
194: ok 21502
194: ok 21503
194: ok 21504
194: ok 21505
194: ok 21506
194: ok 21507
194: ok 21508
194: ok 21509
194: ok 21510
194: ok 21511
194: ok 21512
194: ok 21513
194: ok 21514
194: ok 21515
194: ok 21516
194: ok 21517
194: ok 21518
194: ok 21519
194: ok 21520
194: ok 21521
194: ok 21522
194: ok 21523
194: ok 21524
194: ok 21525
194: ok 21526
194: ok 21527
194: ok 21528
194: ok 21529
194: ok 21530
194: ok 21531
194: ok 21532
194: ok 21533
194: ok 21534
194: ok 21535
194: ok 21536
194: ok 21537
194: ok 21538
194: ok 21539
194: ok 21540
194: ok 21541
194: ok 21542
194: ok 21543
194: ok 21544
194: ok 21545
194: ok 21546
194: ok 21547
194: ok 21548
194: ok 21549
194: ok 21550
194: ok 21551
194: ok 21552
194: ok 21553
194: ok 21554
194: ok 21555
194: ok 21556
194: ok 21557
194: ok 21558
194: ok 21559
194: ok 21560
194: ok 21561
194: ok 21562
194: ok 21563
194: ok 21564
194: ok 21565
194: ok 21566
194: ok 21567
194: ok 21568
194: ok 21569
194: ok 21570
194: ok 21571
194: ok 21572
194: ok 21573
194: ok 21574
194: ok 21575
194: ok 21576
194: ok 21577
194: ok 21578
194: ok 21579
194: ok 21580
194: ok 21581
194: ok 21582
194: ok 21583
194: ok 21584
194: ok 21585
194: ok 21586
194: ok 21587
194: ok 21588
194: ok 21589
194: ok 21590
194: ok 21591
194: ok 21592
194: ok 21593
194: ok 21594
194: ok 21595
194: ok 21596
194: ok 21597
194: ok 21598
194: ok 21599
194: ok 21600
194: ok 21601
194: ok 21602
194: ok 21603
194: ok 21604
194: ok 21605
194: ok 21606
194: ok 21607
194: ok 21608
194: ok 21609
194: ok 21610
194: ok 21611
194: ok 21612
194: ok 21613
194: ok 21614
194: ok 21615
194: ok 21616
194: ok 21617
194: ok 21618
194: ok 21619
194: ok 21620
194: ok 21621
194: ok 21622
194: ok 21623
194: ok 21624
194: ok 21625
194: ok 21626
194: ok 21627
194: ok 21628
194: ok 21629
194: ok 21630
194: ok 21631
194: ok 21632
194: ok 21633
194: ok 21634
194: ok 21635
194: ok 21636
194: ok 21637
194: ok 21638
194: ok 21639
194: ok 21640
194: ok 21641
194: ok 21642
194: ok 21643
194: ok 21644
194: ok 21645
194: ok 21646
194: ok 21647
194: ok 21648
194: ok 21649
194: ok 21650
194: ok 21651
194: ok 21652
194: ok 21653
194: ok 21654
194: ok 21655
194: ok 21656
194: ok 21657
194: ok 21658
194: ok 21659
194: ok 21660
194: ok 21661
194: ok 21662
194: ok 21663
194: ok 21664
194: ok 21665
194: ok 21666
194: ok 21667
194: ok 21668
194: ok 21669
194: ok 21670
194: ok 21671
194: ok 21672
194: ok 21673
194: ok 21674
194: ok 21675
194: ok 21676
194: ok 21677
194: ok 21678
194: ok 21679
194: ok 21680
194: ok 21681
194: ok 21682
194: ok 21683
194: ok 21684
194: ok 21685
194: ok 21686
194: ok 21687
194: ok 21688
194: ok 21689
194: ok 21690
194: ok 21691
194: ok 21692
194: ok 21693
194: ok 21694
194: ok 21695
194: ok 21696
194: ok 21697
194: ok 21698
194: ok 21699
194: ok 21700
194: ok 21701
194: ok 21702
194: ok 21703
194: ok 21704
194: ok 21705
194: ok 21706
194: ok 21707
194: ok 21708
194: ok 21709
194: ok 21710
194: ok 21711
194: ok 21712
194: ok 21713
194: ok 21714
194: ok 21715
194: ok 21716
194: ok 21717
194: ok 21718
194: ok 21719
194: ok 21720
194: ok 21721
194: ok 21722
194: ok 21723
194: ok 21724
194: ok 21725
194: ok 21726
194: ok 21727
194: ok 21728
194: ok 21729
194: ok 21730
194: ok 21731
194: ok 21732
194: ok 21733
194: ok 21734
194: ok 21735
194: ok 21736
194: ok 21737
194: ok 21738
194: ok 21739
194: ok 21740
194: ok 21741
194: ok 21742
194: ok 21743
194: ok 21744
194: ok 21745
194: ok 21746
194: ok 21747
194: ok 21748
194: ok 21749
194: ok 21750
194: ok 21751
194: ok 21752
194: ok 21753
194: ok 21754
194: ok 21755
194: ok 21756
194: ok 21757
194: ok 21758
194: ok 21759
194: ok 21760
194: ok 21761
194: ok 21762
194: ok 21763
194: ok 21764
194: ok 21765
194: ok 21766
194: ok 21767
194: ok 21768
194: ok 21769
194: ok 21770
194: ok 21771
194: ok 21772
194: ok 21773
194: ok 21774
194: ok 21775
194: ok 21776
194: ok 21777
194: ok 21778
194: ok 21779
194: ok 21780
194: ok 21781
194: ok 21782
194: ok 21783
194: ok 21784
194: ok 21785
194: ok 21786
194: ok 21787
194: ok 21788
194: ok 21789
194: ok 21790
194: ok 21791
194: ok 21792
194: ok 21793
194: ok 21794
194: ok 21795
194: ok 21796
194: ok 21797
194: ok 21798
194: ok 21799
194: ok 21800
194: ok 21801
194: ok 21802
194: ok 21803
194: ok 21804
194: ok 21805
194: ok 21806
194: ok 21807
194: ok 21808
194: ok 21809
194: ok 21810
194: ok 21811
194: ok 21812
194: ok 21813
194: ok 21814
194: ok 21815
194: ok 21816
194: ok 21817
194: ok 21818
194: ok 21819
194: ok 21820
194: ok 21821
194: ok 21822
194: ok 21823
194: ok 21824
194: ok 21825
194: ok 21826
194: ok 21827
194: ok 21828
194: ok 21829
194: ok 21830
194: ok 21831
194: ok 21832
194: ok 21833
194: ok 21834
194: ok 21835
194: ok 21836
194: ok 21837
194: ok 21838
194: ok 21839
194: ok 21840
194: ok 21841
194: ok 21842
194: ok 21843
194: ok 21844
194: ok 21845
194: ok 21846
194: ok 21847
194: ok 21848
194: ok 21849
194: ok 21850
194: ok 21851
194: ok 21852
194: ok 21853
194: ok 21854
194: ok 21855
194: ok 21856
194: ok 21857
194: ok 21858
194: ok 21859
194: ok 21860
194: ok 21861
194: ok 21862
194: ok 21863
194: ok 21864
194: ok 21865
194: ok 21866
194: ok 21867
194: ok 21868
194: ok 21869
194: ok 21870
194: ok 21871
194: ok 21872
194: ok 21873
194: ok 21874
194: ok 21875
194: ok 21876
194: ok 21877
194: ok 21878
194: ok 21879
194: ok 21880
194: ok 21881
194: ok 21882
194: ok 21883
194: ok 21884
194: ok 21885
194: ok 21886
194: ok 21887
194: ok 21888
194: ok 21889
194: ok 21890
194: ok 21891
194: ok 21892
194: ok 21893
194: ok 21894
194: ok 21895
194: ok 21896
194: ok 21897
194: ok 21898
194: ok 21899
194: ok 21900
194: ok 21901
194: ok 21902
194: ok 21903
194: ok 21904
194: ok 21905
194: ok 21906
194: ok 21907
194: ok 21908
194: ok 21909
194: ok 21910
194: ok 21911
194: ok 21912
194: ok 21913
194: ok 21914
194: ok 21915
194: ok 21916
194: ok 21917
194: ok 21918
194: ok 21919
194: ok 21920
194: ok 21921
194: ok 21922
194: ok 21923
194: ok 21924
194: ok 21925
194: ok 21926
194: ok 21927
194: ok 21928
194: ok 21929
194: ok 21930
194: ok 21931
194: ok 21932
194: ok 21933
194: ok 21934
194: ok 21935
194: ok 21936
194: ok 21937
194: ok 21938
194: ok 21939
194: ok 21940
194: ok 21941
194: ok 21942
194: ok 21943
194: ok 21944
194: ok 21945
194: ok 21946
194: ok 21947
194: ok 21948
194: ok 21949
194: ok 21950
194: ok 21951
194: ok 21952
194: ok 21953
194: ok 21954
194: ok 21955
194: ok 21956
194: ok 21957
194: ok 21958
194: ok 21959
194: ok 21960
194: ok 21961
194: ok 21962
194: ok 21963
194: ok 21964
194: ok 21965
194: ok 21966
194: ok 21967
194: ok 21968
194: ok 21969
194: ok 21970
194: ok 21971
194: ok 21972
194: ok 21973
194: ok 21974
194: ok 21975
194: ok 21976
194: ok 21977
194: ok 21978
194: ok 21979
194: ok 21980
194: ok 21981
194: ok 21982
194: ok 21983
194: ok 21984
194: ok 21985
194: ok 21986
194: ok 21987
194: ok 21988
194: ok 21989
194: ok 21990
194: ok 21991
194: ok 21992
194: ok 21993
194: ok 21994
194: ok 21995
194: ok 21996
194: ok 21997
194: ok 21998
194: ok 21999
194: ok 22000
194: ok 22001
194: ok 22002
194: ok 22003
194: ok 22004
194: ok 22005
194: ok 22006
194: ok 22007
194: ok 22008
194: ok 22009
194: ok 22010
194: ok 22011
194: ok 22012
194: ok 22013
194: ok 22014
194: ok 22015
194: ok 22016
194: ok 22017
194: ok 22018
194: ok 22019
194: ok 22020
194: ok 22021
194: ok 22022
194: ok 22023
194: ok 22024
194: ok 22025
194: ok 22026
194: ok 22027
194: ok 22028
194: ok 22029
194: ok 22030
194: ok 22031
194: ok 22032
194: ok 22033
194: ok 22034
194: ok 22035
194: ok 22036
194: ok 22037
194: ok 22038
194: ok 22039
194: ok 22040
194: ok 22041
194: ok 22042
194: ok 22043
194: ok 22044
194: ok 22045
194: ok 22046
194: ok 22047
194: ok 22048
194: ok 22049
194: ok 22050
194: ok 22051
194: ok 22052
194: ok 22053
194: ok 22054
194: ok 22055
194: ok 22056
194: ok 22057
194: ok 22058
194: ok 22059
194: ok 22060
194: ok 22061
194: ok 22062
194: ok 22063
194: ok 22064
194: ok 22065
194: ok 22066
194: ok 22067
194: ok 22068
194: ok 22069
194: ok 22070
194: ok 22071
194: ok 22072
194: ok 22073
194: ok 22074
194: ok 22075
194: ok 22076
194: ok 22077
194: ok 22078
194: ok 22079
194: ok 22080
194: ok 22081
194: ok 22082
194: ok 22083
194: ok 22084
194: ok 22085
194: ok 22086
194: ok 22087
194: ok 22088
194: ok 22089
194: ok 22090
194: ok 22091
194: ok 22092
194: ok 22093
194: ok 22094
194: ok 22095
194: ok 22096
194: ok 22097
194: ok 22098
194: ok 22099
194: ok 22100
194: ok 22101
194: ok 22102
194: ok 22103
194: ok 22104
194: ok 22105
194: ok 22106
194: ok 22107
194: ok 22108
194: ok 22109
194: ok 22110
194: ok 22111
194: ok 22112
194: ok 22113
194: ok 22114
194: ok 22115
194: ok 22116
194: ok 22117
194: ok 22118
194: ok 22119
194: ok 22120
194: ok 22121
194: ok 22122
194: ok 22123
194: ok 22124
194: ok 22125
194: ok 22126
194: ok 22127
194: ok 22128
194: ok 22129
194: ok 22130
194: ok 22131
194: ok 22132
194: ok 22133
194: ok 22134
194: ok 22135
194: ok 22136
194: ok 22137
194: ok 22138
194: ok 22139
194: ok 22140
194: ok 22141
194: ok 22142
194: ok 22143
194: ok 22144
194: ok 22145
194: ok 22146
194: ok 22147
194: ok 22148
194: ok 22149
194: ok 22150
194: ok 22151
194: ok 22152
194: ok 22153
194: ok 22154
194: ok 22155
194: ok 22156
194: ok 22157
194: ok 22158
194: ok 22159
194: ok 22160
194: ok 22161
194: ok 22162
194: ok 22163
194: ok 22164
194: ok 22165
194: ok 22166
194: ok 22167
194: ok 22168
194: ok 22169
194: ok 22170
194: ok 22171
194: ok 22172
194: ok 22173
194: ok 22174
194: ok 22175
194: ok 22176
194: ok 22177
194: ok 22178
194: ok 22179
194: ok 22180
194: ok 22181
194: ok 22182
194: ok 22183
194: ok 22184
194: ok 22185
194: ok 22186
194: ok 22187
194: ok 22188
194: ok 22189
194: ok 22190
194: ok 22191
194: ok 22192
194: ok 22193
194: ok 22194
194: ok 22195
194: ok 22196
194: ok 22197
194: ok 22198
194: ok 22199
194: ok 22200
194: ok 22201
194: ok 22202
194: ok 22203
194: ok 22204
194: ok 22205
194: ok 22206
194: ok 22207
194: ok 22208
194: ok 22209
194: ok 22210
194: ok 22211
194: ok 22212
194: ok 22213
194: ok 22214
194: ok 22215
194: ok 22216
194: ok 22217
194: ok 22218
194: ok 22219
194: ok 22220
194: ok 22221
194: ok 22222
194: ok 22223
194: ok 22224
194: ok 22225
194: ok 22226
194: ok 22227
194: ok 22228
194: ok 22229
194: ok 22230
194: ok 22231
194: ok 22232
194: ok 22233
194: ok 22234
194: ok 22235
194: ok 22236
194: ok 22237
194: ok 22238
194: ok 22239
194: ok 22240
194: ok 22241
194: ok 22242
194: ok 22243
194: ok 22244
194: ok 22245
194: ok 22246
194: ok 22247
194: ok 22248
194: ok 22249
194: ok 22250
194: ok 22251
194: ok 22252
194: ok 22253
194: ok 22254
194: ok 22255
194: ok 22256
194: ok 22257
194: ok 22258
194: ok 22259
194: ok 22260
194: ok 22261
194: ok 22262
194: ok 22263
194: ok 22264
194: ok 22265
194: ok 22266
194: ok 22267
194: ok 22268
194: ok 22269
194: ok 22270
194: ok 22271
194: ok 22272
194: ok 22273
194: ok 22274
194: ok 22275
194: ok 22276
194: ok 22277
194: ok 22278
194: ok 22279
194: ok 22280
194: ok 22281
194: ok 22282
194: ok 22283
194: ok 22284
194: ok 22285
194: ok 22286
194: ok 22287
194: ok 22288
194: ok 22289
194: ok 22290
194: ok 22291
194: ok 22292
194: ok 22293
194: ok 22294
194: ok 22295
194: ok 22296
194: ok 22297
194: ok 22298
194: ok 22299
194: ok 22300
194: ok 22301
194: ok 22302
194: ok 22303
194: ok 22304
194: ok 22305
194: ok 22306
194: ok 22307
194: ok 22308
194: ok 22309
194: ok 22310
194: ok 22311
194: ok 22312
194: ok 22313
194: ok 22314
194: ok 22315
194: ok 22316
194: ok 22317
194: ok 22318
194: ok 22319
194: ok 22320
194: ok 22321
194: ok 22322
194: ok 22323
194: ok 22324
194: ok 22325
194: ok 22326
194: ok 22327
194: ok 22328
194: ok 22329
194: ok 22330
194: ok 22331
194: ok 22332
194: ok 22333
194: ok 22334
194: ok 22335
194: ok 22336
194: ok 22337
194: ok 22338
194: ok 22339
194: ok 22340
194: ok 22341
194: ok 22342
194: ok 22343
194: ok 22344
194: ok 22345
194: ok 22346
194: ok 22347
194: ok 22348
194: ok 22349
194: ok 22350
194: ok 22351
194: ok 22352
194: ok 22353
194: ok 22354
194: ok 22355
194: ok 22356
194: ok 22357
194: ok 22358
194: ok 22359
194: ok 22360
194: ok 22361
194: ok 22362
194: ok 22363
194: ok 22364
194: ok 22365
194: ok 22366
194: ok 22367
194: ok 22368
194: ok 22369
194: ok 22370
194: ok 22371
194: ok 22372
194: ok 22373
194: ok 22374
194: ok 22375
194: ok 22376
194: ok 22377
194: ok 22378
194: ok 22379
194: ok 22380
194: ok 22381
194: ok 22382
194: ok 22383
194: ok 22384
194: ok 22385
194: ok 22386
194: ok 22387
194: ok 22388
194: ok 22389
194: ok 22390
194: ok 22391
194: ok 22392
194: ok 22393
194: ok 22394
194: ok 22395
194: ok 22396
194: ok 22397
194: ok 22398
194: ok 22399
194: ok 22400
194: ok 22401
194: ok 22402
194: ok 22403
194: ok 22404
194: ok 22405
194: ok 22406
194: ok 22407
194: ok 22408
194: ok 22409
194: ok 22410
194: ok 22411
194: ok 22412
194: ok 22413
194: ok 22414
194: ok 22415
194: ok 22416
194: ok 22417
194: ok 22418
194: ok 22419
194: ok 22420
194: ok 22421
194: ok 22422
194: ok 22423
194: ok 22424
194: ok 22425
194: ok 22426
194: ok 22427
194: ok 22428
194: ok 22429
194: ok 22430
194: ok 22431
194: ok 22432
194: ok 22433
194: ok 22434
194: ok 22435
194: ok 22436
194: ok 22437
194: ok 22438
194: ok 22439
194: ok 22440
194: ok 22441
194: ok 22442
194: ok 22443
194: ok 22444
194: ok 22445
194: ok 22446
194: ok 22447
194: ok 22448
194: ok 22449
194: ok 22450
194: ok 22451
194: ok 22452
194: ok 22453
194: ok 22454
194: ok 22455
194: ok 22456
194: ok 22457
194: ok 22458
194: ok 22459
194: ok 22460
194: ok 22461
194: ok 22462
194: ok 22463
194: ok 22464
194: ok 22465
194: ok 22466
194: ok 22467
194: ok 22468
194: ok 22469
194: ok 22470
194: ok 22471
194: ok 22472
194: ok 22473
194: ok 22474
194: ok 22475
194: ok 22476
194: ok 22477
194: ok 22478
194: ok 22479
194: ok 22480
194: ok 22481
194: ok 22482
194: ok 22483
194: ok 22484
194: ok 22485
194: ok 22486
194: ok 22487
194: ok 22488
194: ok 22489
194: ok 22490
194: ok 22491
194: ok 22492
194: ok 22493
194: ok 22494
194: ok 22495
194: ok 22496
194: ok 22497
194: ok 22498
194: ok 22499
194: ok 22500
194: ok 22501
194: ok 22502
194: ok 22503
194: ok 22504
194: ok 22505
194: ok 22506
194: ok 22507
194: ok 22508
194: ok 22509
194: ok 22510
194: ok 22511
194: ok 22512
194: ok 22513
194: ok 22514
194: ok 22515
194: ok 22516
194: ok 22517
194: ok 22518
194: ok 22519
194: ok 22520
194: ok 22521
194: ok 22522
194: ok 22523
194: ok 22524
194: ok 22525
194: ok 22526
194: ok 22527
194: ok 22528
194: ok 22529
194: ok 22530
194: ok 22531
194: ok 22532
194: ok 22533
194: ok 22534
194: ok 22535
194: ok 22536
194: ok 22537
194: ok 22538
194: ok 22539
194: ok 22540
194: ok 22541
194: ok 22542
194: ok 22543
194: ok 22544
194: ok 22545
194: ok 22546
194: ok 22547
194: ok 22548
194: ok 22549
194: ok 22550
194: ok 22551
194: ok 22552
194: ok 22553
194: ok 22554
194: ok 22555
194: ok 22556
194: ok 22557
194: ok 22558
194: ok 22559
194: ok 22560
194: ok 22561
194: ok 22562
194: ok 22563
194: ok 22564
194: ok 22565
194: ok 22566
194: ok 22567
194: ok 22568
194: ok 22569
194: ok 22570
194: ok 22571
194: ok 22572
194: ok 22573
194: ok 22574
194: ok 22575
194: ok 22576
194: ok 22577
194: ok 22578
194: ok 22579
194: ok 22580
194: ok 22581
194: ok 22582
194: ok 22583
194: ok 22584
194: ok 22585
194: ok 22586
194: ok 22587
194: ok 22588
194: ok 22589
194: ok 22590
194: ok 22591
194: ok 22592
194: ok 22593
194: ok 22594
194: ok 22595
194: ok 22596
194: ok 22597
194: ok 22598
194: ok 22599
194: ok 22600
194: ok 22601
194: ok 22602
194: ok 22603
194: ok 22604
194: ok 22605
194: ok 22606
194: ok 22607
194: ok 22608
194: ok 22609
194: ok 22610
194: ok 22611
194: ok 22612
194: ok 22613
194: ok 22614
194: ok 22615
194: ok 22616
194: ok 22617
194: ok 22618
194: ok 22619
194: ok 22620
194: ok 22621
194: ok 22622
194: ok 22623
194: ok 22624
194: ok 22625
194: ok 22626
194: ok 22627
194: ok 22628
194: ok 22629
194: ok 22630
194: ok 22631
194: ok 22632
194: ok 22633
194: ok 22634
194: ok 22635
194: ok 22636
194: ok 22637
194: ok 22638
194: ok 22639
194: ok 22640
194: ok 22641
194: ok 22642
194: ok 22643
194: ok 22644
194: ok 22645
194: ok 22646
194: ok 22647
194: ok 22648
194: ok 22649
194: ok 22650
194: ok 22651
194: ok 22652
194: ok 22653
194: ok 22654
194: ok 22655
194: ok 22656
194: ok 22657
194: ok 22658
194: ok 22659
194: ok 22660
194: ok 22661
194: ok 22662
194: ok 22663
194: ok 22664
194: ok 22665
194: ok 22666
194: ok 22667
194: ok 22668
194: ok 22669
194: ok 22670
194: ok 22671
194: ok 22672
194: ok 22673
194: ok 22674
194: ok 22675
194: ok 22676
194: ok 22677
194: ok 22678
194: ok 22679
194: ok 22680
194: ok 22681
194: ok 22682
194: ok 22683
194: ok 22684
194: ok 22685
194: ok 22686
194: ok 22687
194: ok 22688
194: ok 22689
194: ok 22690
194: ok 22691
194: ok 22692
194: ok 22693
194: ok 22694
194: ok 22695
194: ok 22696
194: ok 22697
194: ok 22698
194: ok 22699
194: ok 22700
194: ok 22701
194: ok 22702
194: ok 22703
194: ok 22704
194: ok 22705
194: ok 22706
194: ok 22707
194: ok 22708
194: ok 22709
194: ok 22710
194: ok 22711
194: ok 22712
194: ok 22713
194: ok 22714
194: ok 22715
194: ok 22716
194: ok 22717
194: ok 22718
194: ok 22719
194: ok 22720
194: ok 22721
194: ok 22722
194: ok 22723
194: ok 22724
194: ok 22725
194: ok 22726
194: ok 22727
194: ok 22728
194: ok 22729
194: ok 22730
194: ok 22731
194: ok 22732
194: ok 22733
194: ok 22734
194: ok 22735
194: ok 22736
194: ok 22737
194: ok 22738
194: ok 22739
194: ok 22740
194: ok 22741
194: ok 22742
194: ok 22743
194: ok 22744
194: ok 22745
194: ok 22746
194: ok 22747
194: ok 22748
194: ok 22749
194: ok 22750
194: ok 22751
194: ok 22752
194: ok 22753
194: ok 22754
194: ok 22755
194: ok 22756
194: ok 22757
194: ok 22758
194: ok 22759
194: ok 22760
194: ok 22761
194: ok 22762
194: ok 22763
194: ok 22764
194: ok 22765
194: ok 22766
194: ok 22767
194: ok 22768
194: ok 22769
194: ok 22770
194: ok 22771
194: ok 22772
194: ok 22773
194: ok 22774
194: ok 22775
194: ok 22776
194: ok 22777
194: ok 22778
194: ok 22779
194: ok 22780
194: ok 22781
194: ok 22782
194: ok 22783
194: ok 22784
194: ok 22785
194: ok 22786
194: ok 22787
194: ok 22788
194: ok 22789
194: ok 22790
194: ok 22791
194: ok 22792
194: ok 22793
194: ok 22794
194: ok 22795
194: ok 22796
194: ok 22797
194: ok 22798
194: ok 22799
194: ok 22800
194: ok 22801
194: ok 22802
194: ok 22803
194: ok 22804
194: ok 22805
194: ok 22806
194: ok 22807
194: ok 22808
194: ok 22809
194: ok 22810
194: ok 22811
194: ok 22812
194: ok 22813
194: ok 22814
194: ok 22815
194: ok 22816
194: ok 22817
194: ok 22818
194: ok 22819
194: ok 22820
194: ok 22821
194: ok 22822
194: ok 22823
194: ok 22824
194: ok 22825
194: ok 22826
194: ok 22827
194: ok 22828
194: ok 22829
194: ok 22830
194: ok 22831
194: ok 22832
194: ok 22833
194: ok 22834
194: ok 22835
194: ok 22836
194: ok 22837
194: ok 22838
194: ok 22839
194: ok 22840
194: ok 22841
194: ok 22842
194: ok 22843
194: ok 22844
194: ok 22845
194: ok 22846
194: ok 22847
194: ok 22848
194: ok 22849
194: ok 22850
194: ok 22851
194: ok 22852
194: ok 22853
194: ok 22854
194: ok 22855
194: ok 22856
194: ok 22857
194: ok 22858
194: ok 22859
194: ok 22860
194: ok 22861
194: ok 22862
194: ok 22863
194: ok 22864
194: ok 22865
194: ok 22866
194: ok 22867
194: ok 22868
194: ok 22869
194: ok 22870
194: ok 22871
194: ok 22872
194: ok 22873
194: ok 22874
194: ok 22875
194: ok 22876
194: ok 22877
194: ok 22878
194: ok 22879
194: ok 22880
194: ok 22881
194: ok 22882
194: ok 22883
194: ok 22884
194: ok 22885
194: ok 22886
194: ok 22887
194: ok 22888
194: ok 22889
194: ok 22890
194: ok 22891
194: ok 22892
194: ok 22893
194: ok 22894
194: ok 22895
194: ok 22896
194: ok 22897
194: ok 22898
194: ok 22899
194: ok 22900
194: ok 22901
194: ok 22902
194: ok 22903
194: ok 22904
194: ok 22905
194: ok 22906
194: ok 22907
194: ok 22908
194: ok 22909
194: ok 22910
194: ok 22911
194: ok 22912
194: ok 22913
194: ok 22914
194: ok 22915
194: ok 22916
194: ok 22917
194: ok 22918
194: ok 22919
194: ok 22920
194: ok 22921
194: ok 22922
194: ok 22923
194: ok 22924
194: ok 22925
194: ok 22926
194: ok 22927
194: ok 22928
194: ok 22929
194: ok 22930
194: ok 22931
194: ok 22932
194: ok 22933
194: ok 22934
194: ok 22935
194: ok 22936
194: ok 22937
194: ok 22938
194: ok 22939
194: ok 22940
194: ok 22941
194: ok 22942
194: ok 22943
194: ok 22944
194: ok 22945
194: ok 22946
194: ok 22947
194: ok 22948
194: ok 22949
194: ok 22950
194: ok 22951
194: ok 22952
194: ok 22953
194: ok 22954
194: ok 22955
194: ok 22956
194: ok 22957
194: ok 22958
194: ok 22959
194: ok 22960
194: ok 22961
194: ok 22962
194: ok 22963
194: ok 22964
194: ok 22965
194: ok 22966
194: ok 22967
194: ok 22968
194: ok 22969
194: ok 22970
194: ok 22971
194: ok 22972
194: ok 22973
194: ok 22974
194: ok 22975
194: ok 22976
194: ok 22977
194: ok 22978
194: ok 22979
194: ok 22980
194: ok 22981
194: ok 22982
194: ok 22983
194: ok 22984
194: ok 22985
194: ok 22986
194: ok 22987
194: ok 22988
194: ok 22989
194: ok 22990
194: ok 22991
194: ok 22992
194: ok 22993
194: ok 22994
194: ok 22995
194: ok 22996
194: ok 22997
194: ok 22998
194: ok 22999
194: ok 23000
194: ok 23001
194: ok 23002
194: ok 23003
194: ok 23004
194: ok 23005
194: ok 23006
194: ok 23007
194: ok 23008
194: ok 23009
194: ok 23010
194: ok 23011
194: ok 23012
194: ok 23013
194: ok 23014
194: ok 23015
194: ok 23016
194: ok 23017
194: ok 23018
194: ok 23019
194: ok 23020
194: ok 23021
194: ok 23022
194: ok 23023
194: ok 23024
194: ok 23025
194: ok 23026
194: ok 23027
194: ok 23028
194: ok 23029
194: ok 23030
194: ok 23031
194: ok 23032
194: ok 23033
194: ok 23034
194: ok 23035
194: ok 23036
194: ok 23037
194: ok 23038
194: ok 23039
194: ok 23040
194: ok 23041
194: ok 23042
194: ok 23043
194: ok 23044
194: ok 23045
194: ok 23046
194: ok 23047
194: ok 23048
194: ok 23049
194: ok 23050
194: ok 23051
194: ok 23052
194: ok 23053
194: ok 23054
194: ok 23055
194: ok 23056
194: ok 23057
194: ok 23058
194: ok 23059
194: ok 23060
194: ok 23061
194: ok 23062
194: ok 23063
194: ok 23064
194: ok 23065
194: ok 23066
194: ok 23067
194: ok 23068
194: ok 23069
194: ok 23070
194: ok 23071
194: ok 23072
194: ok 23073
194: ok 23074
194: ok 23075
194: ok 23076
194: ok 23077
194: ok 23078
194: ok 23079
194: ok 23080
194: ok 23081
194: ok 23082
194: ok 23083
194: ok 23084
194: ok 23085
194: ok 23086
194: ok 23087
194: ok 23088
194: ok 23089
194: ok 23090
194: ok 23091
194: ok 23092
194: ok 23093
194: ok 23094
194: ok 23095
194: ok 23096
194: ok 23097
194: ok 23098
194: ok 23099
194: ok 23100
194: ok 23101
194: ok 23102
194: ok 23103
194: ok 23104
194: ok 23105
194: ok 23106
194: ok 23107
194: ok 23108
194: ok 23109
194: ok 23110
194: ok 23111
194: ok 23112
194: ok 23113
194: ok 23114
194: ok 23115
194: ok 23116
194: ok 23117
194: ok 23118
194: ok 23119
194: ok 23120
194: ok 23121
194: ok 23122
194: ok 23123
194: ok 23124
194: ok 23125
194: ok 23126
194: ok 23127
194: ok 23128
194: ok 23129
194: ok 23130
194: ok 23131
194: ok 23132
194: ok 23133
194: ok 23134
194: ok 23135
194: ok 23136
194: ok 23137
194: ok 23138
194: ok 23139
194: ok 23140
194: ok 23141
194: ok 23142
194: ok 23143
194: ok 23144
194: ok 23145
194: ok 23146
194: ok 23147
194: ok 23148
194: ok 23149
194: ok 23150
194: ok 23151
194: ok 23152
194: ok 23153
194: ok 23154
194: ok 23155
194: ok 23156
194: ok 23157
194: ok 23158
194: ok 23159
194: ok 23160
194: ok 23161
194: ok 23162
194: ok 23163
194: ok 23164
194: ok 23165
194: ok 23166
194: ok 23167
194: ok 23168
194: ok 23169
194: ok 23170
194: ok 23171
194: ok 23172
194: ok 23173
194: ok 23174
194: ok 23175
194: ok 23176
194: ok 23177
194: ok 23178
194: ok 23179
194: ok 23180
194: ok 23181
194: ok 23182
194: ok 23183
194: ok 23184
194: ok 23185
194: ok 23186
194: ok 23187
194: ok 23188
194: ok 23189
194: ok 23190
194: ok 23191
194: ok 23192
194: ok 23193
194: ok 23194
194: ok 23195
194: ok 23196
194: ok 23197
194: ok 23198
194: ok 23199
194: ok 23200
194: ok 23201
194: ok 23202
194: ok 23203
194: ok 23204
194: ok 23205
194: ok 23206
194: ok 23207
194: ok 23208
194: ok 23209
194: ok 23210
194: ok 23211
194: ok 23212
194: ok 23213
194: ok 23214
194: ok 23215
194: ok 23216
194: ok 23217
194: ok 23218
194: ok 23219
194: ok 23220
194: ok 23221
194: ok 23222
194: ok 23223
194: ok 23224
194: ok 23225
194: ok 23226
194: ok 23227
194: ok 23228
194: ok 23229
194: ok 23230
194: ok 23231
194: ok 23232
194: ok 23233
194: ok 23234
194: ok 23235
194: ok 23236
194: ok 23237
194: ok 23238
194: ok 23239
194: ok 23240
194: ok 23241
194: ok 23242
194: ok 23243
194: ok 23244
194: ok 23245
194: ok 23246
194: ok 23247
194: ok 23248
194: ok 23249
194: ok 23250
194: ok 23251
194: ok 23252
194: ok 23253
194: ok 23254
194: ok 23255
194: ok 23256
194: ok 23257
194: ok 23258
194: ok 23259
194: ok 23260
194: ok 23261
194: ok 23262
194: ok 23263
194: ok 23264
194: ok 23265
194: ok 23266
194: ok 23267
194: ok 23268
194: ok 23269
194: ok 23270
194: ok 23271
194: ok 23272
194: ok 23273
194: ok 23274
194: ok 23275
194: ok 23276
194: ok 23277
194: ok 23278
194: ok 23279
194: ok 23280
194: ok 23281
194: ok 23282
194: ok 23283
194: ok 23284
194: ok 23285
194: ok 23286
194: ok 23287
194: ok 23288
194: ok 23289
194: ok 23290
194: ok 23291
194: ok 23292
194: ok 23293
194: ok 23294
194: ok 23295
194: ok 23296
194: ok 23297
194: ok 23298
194: ok 23299
194: ok 23300
194: ok 23301
194: ok 23302
194: ok 23303
194: ok 23304
194: ok 23305
194: ok 23306
194: ok 23307
194: ok 23308
194: ok 23309
194: ok 23310
194: ok 23311
194: ok 23312
194: ok 23313
194: ok 23314
194: ok 23315
194: ok 23316
194: ok 23317
194: ok 23318
194: ok 23319
194: ok 23320
194: ok 23321
194: ok 23322
194: ok 23323
194: ok 23324
194: ok 23325
194: ok 23326
194: ok 23327
194: ok 23328
194: ok 23329
194: ok 23330
194: ok 23331
194: ok 23332
194: ok 23333
194: ok 23334
194: ok 23335
194: ok 23336
194: ok 23337
194: ok 23338
194: ok 23339
194: ok 23340
194: ok 23341
194: ok 23342
194: ok 23343
194: ok 23344
194: ok 23345
194: ok 23346
194: ok 23347
194: ok 23348
194: ok 23349
194: ok 23350
194: ok 23351
194: ok 23352
194: ok 23353
194: ok 23354
194: ok 23355
194: ok 23356
194: ok 23357
194: ok 23358
194: ok 23359
194: ok 23360
194: ok 23361
194: ok 23362
194: ok 23363
194: ok 23364
194: ok 23365
194: ok 23366
194: ok 23367
194: ok 23368
194: ok 23369
194: ok 23370
194: ok 23371
194: ok 23372
194: ok 23373
194: ok 23374
194: ok 23375
194: ok 23376
194: ok 23377
194: ok 23378
194: ok 23379
194: ok 23380
194: ok 23381
194: ok 23382
194: ok 23383
194: ok 23384
194: ok 23385
194: ok 23386
194: ok 23387
194: ok 23388
194: ok 23389
194: ok 23390
194: ok 23391
194: ok 23392
194: ok 23393
194: ok 23394
194: ok 23395
194: ok 23396
194: ok 23397
194: ok 23398
194: ok 23399
194: ok 23400
194: ok 23401
194: ok 23402
194: ok 23403
194: ok 23404
194: ok 23405
194: ok 23406
194: ok 23407
194: ok 23408
194: ok 23409
194: ok 23410
194: ok 23411
194: ok 23412
194: ok 23413
194: ok 23414
194: ok 23415
194: ok 23416
194: ok 23417
194: ok 23418
194: ok 23419
194: ok 23420
194: ok 23421
194: ok 23422
194: ok 23423
194: ok 23424
194: ok 23425
194: ok 23426
194: ok 23427
194: ok 23428
194: ok 23429
194: ok 23430
194: ok 23431
194: ok 23432
194: ok 23433
194: ok 23434
194: ok 23435
194: ok 23436
194: ok 23437
194: ok 23438
194: ok 23439
194: ok 23440
194: ok 23441
194: ok 23442
194: ok 23443
194: ok 23444
194: ok 23445
194: ok 23446
194: ok 23447
194: ok 23448
194: ok 23449
194: ok 23450
194: ok 23451
194: ok 23452
194: ok 23453
194: ok 23454
194: ok 23455
194: ok 23456
194: ok 23457
194: ok 23458
194: ok 23459
194: ok 23460
194: ok 23461
194: ok 23462
194: ok 23463
194: ok 23464
194: ok 23465
194: ok 23466
194: ok 23467
194: ok 23468
194: ok 23469
194: ok 23470
194: ok 23471
194: ok 23472
194: ok 23473
194: ok 23474
194: ok 23475
194: ok 23476
194: ok 23477
194: ok 23478
194: ok 23479
194: ok 23480
194: ok 23481
194: ok 23482
194: ok 23483
194: ok 23484
194: ok 23485
194: ok 23486
194: ok 23487
194: ok 23488
194: ok 23489
194: ok 23490
194: ok 23491
194: ok 23492
194: ok 23493
194: ok 23494
194: ok 23495
194: ok 23496
194: ok 23497
194: ok 23498
194: ok 23499
194: ok 23500
194: ok 23501
194: ok 23502
194: ok 23503
194: ok 23504
194: ok 23505
194: ok 23506
194: ok 23507
194: ok 23508
194: ok 23509
194: ok 23510
194: ok 23511
194: ok 23512
194: ok 23513
194: ok 23514
194: ok 23515
194: ok 23516
194: ok 23517
194: ok 23518
194: ok 23519
194: ok 23520
194: ok 23521
194: ok 23522
194: ok 23523
194: ok 23524
194: ok 23525
194: ok 23526
194: ok 23527
194: ok 23528
194: ok 23529
194: ok 23530
194: ok 23531
194: ok 23532
194: ok 23533
194: ok 23534
194: ok 23535
194: ok 23536
194: ok 23537
194: ok 23538
194: ok 23539
194: ok 23540
194: ok 23541
194: ok 23542
194: ok 23543
194: ok 23544
194: ok 23545
194: ok 23546
194: ok 23547
194: ok 23548
194: ok 23549
194: ok 23550
194: ok 23551
194: ok 23552
194: ok 23553
194: ok 23554
194: ok 23555
194: ok 23556
194: ok 23557
194: ok 23558
194: ok 23559
194: ok 23560
194: ok 23561
194: ok 23562
194: ok 23563
194: ok 23564
194: ok 23565
194: ok 23566
194: ok 23567
194: ok 23568
194: ok 23569
194: ok 23570
194: ok 23571
194: ok 23572
194: ok 23573
194: ok 23574
194: ok 23575
194: ok 23576
194: ok 23577
194: ok 23578
194: ok 23579
194: ok 23580
194: ok 23581
194: ok 23582
194: ok 23583
194: ok 23584
194: ok 23585
194: ok 23586
194: ok 23587
194: ok 23588
194: ok 23589
194: ok 23590
194: ok 23591
194: ok 23592
194: ok 23593
194: ok 23594
194: ok 23595
194: ok 23596
194: ok 23597
194: ok 23598
194: ok 23599
194: ok 23600
194: ok 23601
194: ok 23602
194: ok 23603
194: ok 23604
194: ok 23605
194: ok 23606
194: ok 23607
194: ok 23608
194: ok 23609
194: ok 23610
194: ok 23611
194: ok 23612
194: ok 23613
194: ok 23614
194: ok 23615
194: ok 23616
194: ok 23617
194: ok 23618
194: ok 23619
194: ok 23620
194: ok 23621
194: ok 23622
194: ok 23623
194: ok 23624
194: ok 23625
194: ok 23626
194: ok 23627
194: ok 23628
194: ok 23629
194: ok 23630
194: ok 23631
194: ok 23632
194: ok 23633
194: ok 23634
194: ok 23635
194: ok 23636
194: ok 23637
194: ok 23638
194: ok 23639
194: ok 23640
194: ok 23641
194: ok 23642
194: ok 23643
194: ok 23644
194: ok 23645
194: ok 23646
194: ok 23647
194: ok 23648
194: ok 23649
194: ok 23650
194: ok 23651
194: ok 23652
194: ok 23653
194: ok 23654
194: ok 23655
194: ok 23656
194: ok 23657
194: ok 23658
194: ok 23659
194: ok 23660
194: ok 23661
194: ok 23662
194: ok 23663
194: ok 23664
194: ok 23665
194: ok 23666
194: ok 23667
194: ok 23668
194: ok 23669
194: ok 23670
194: ok 23671
194: ok 23672
194: ok 23673
194: ok 23674
194: ok 23675
194: ok 23676
194: ok 23677
194: ok 23678
194: ok 23679
194: ok 23680
194: ok 23681
194: ok 23682
194: ok 23683
194: ok 23684
194: ok 23685
194: ok 23686
194: ok 23687
194: ok 23688
194: ok 23689
194: ok 23690
194: ok 23691
194: ok 23692
194: ok 23693
194: ok 23694
194: ok 23695
194: ok 23696
194: ok 23697
194: ok 23698
194: ok 23699
194: ok 23700
194: ok 23701
194: ok 23702
194: ok 23703
194: ok 23704
194: ok 23705
194: ok 23706
194: ok 23707
194: ok 23708
194: ok 23709
194: ok 23710
194: ok 23711
194: ok 23712
194: ok 23713
194: ok 23714
194: ok 23715
194: ok 23716
194: ok 23717
194: ok 23718
194: ok 23719
194: ok 23720
194: ok 23721
194: ok 23722
194: ok 23723
194: ok 23724
194: ok 23725
194: ok 23726
194: ok 23727
194: ok 23728
194: ok 23729
194: ok 23730
194: ok 23731
194: ok 23732
194: ok 23733
194: ok 23734
194: ok 23735
194: ok 23736
194: ok 23737
194: ok 23738
194: ok 23739
194: ok 23740
194: ok 23741
194: ok 23742
194: ok 23743
194: ok 23744
194: ok 23745
194: ok 23746
194: ok 23747
194: ok 23748
194: ok 23749
194: ok 23750
194: ok 23751
194: ok 23752
194: ok 23753
194: ok 23754
194: ok 23755
194: ok 23756
194: ok 23757
194: ok 23758
194: ok 23759
194: ok 23760
194: ok 23761
194: ok 23762
194: ok 23763
194: ok 23764
194: ok 23765
194: ok 23766
194: ok 23767
194: ok 23768
194: ok 23769
194: ok 23770
194: ok 23771
194: ok 23772
194: ok 23773
194: ok 23774
194: ok 23775
194: ok 23776
194: ok 23777
194: ok 23778
194: ok 23779
194: ok 23780
194: ok 23781
194: ok 23782
194: ok 23783
194: ok 23784
194: ok 23785
194: ok 23786
194: ok 23787
194: ok 23788
194: ok 23789
194: ok 23790
194: ok 23791
194: ok 23792
194: ok 23793
194: ok 23794
194: ok 23795
194: ok 23796
194: ok 23797
194: ok 23798
194: ok 23799
194: ok 23800
194: ok 23801
194: ok 23802
194: ok 23803
194: ok 23804
194: ok 23805
194: ok 23806
194: ok 23807
194: ok 23808
194: ok 23809
194: ok 23810
194: ok 23811
194: ok 23812
194: ok 23813
194: ok 23814
194: ok 23815
194: ok 23816
194: ok 23817
194: ok 23818
194: ok 23819
194: ok 23820
194: ok 23821
194: ok 23822
194: ok 23823
194: ok 23824
194: ok 23825
194: ok 23826
194: ok 23827
194: ok 23828
194: ok 23829
194: ok 23830
194: ok 23831
194: ok 23832
194: ok 23833
194: ok 23834
194: ok 23835
194: ok 23836
194: ok 23837
194: ok 23838
194: ok 23839
194: ok 23840
194: ok 23841
194: ok 23842
194: ok 23843
194: ok 23844
194: ok 23845
194: ok 23846
194: ok 23847
194: ok 23848
194: ok 23849
194: ok 23850
194: ok 23851
194: ok 23852
194: ok 23853
194: ok 23854
194: ok 23855
194: ok 23856
194: ok 23857
194: ok 23858
194: ok 23859
194: ok 23860
194: ok 23861
194: ok 23862
194: ok 23863
194: ok 23864
194: ok 23865
194: ok 23866
194: ok 23867
194: ok 23868
194: ok 23869
194: ok 23870
194: ok 23871
194: ok 23872
194: ok 23873
194: ok 23874
194: ok 23875
194: ok 23876
194: ok 23877
194: ok 23878
194: ok 23879
194: ok 23880
194: ok 23881
194: ok 23882
194: ok 23883
194: ok 23884
194: ok 23885
194: ok 23886
194: ok 23887
194: ok 23888
194: ok 23889
194: ok 23890
194: ok 23891
194: ok 23892
194: ok 23893
194: ok 23894
194: ok 23895
194: ok 23896
194: ok 23897
194: ok 23898
194: ok 23899
194: ok 23900
194: ok 23901
194: ok 23902
194: ok 23903
194: ok 23904
194: ok 23905
194: ok 23906
194: ok 23907
194: ok 23908
194: ok 23909
194: ok 23910
194: ok 23911
194: ok 23912
194: ok 23913
194: ok 23914
194: ok 23915
194: ok 23916
194: ok 23917
194: ok 23918
194: ok 23919
194: ok 23920
194: ok 23921
194: ok 23922
194: ok 23923
194: ok 23924
194: ok 23925
194: ok 23926
194: ok 23927
194: ok 23928
194: ok 23929
194: ok 23930
194: ok 23931
194: ok 23932
194: ok 23933
194: ok 23934
194: ok 23935
194: ok 23936
194: ok 23937
194: ok 23938
194: ok 23939
194: ok 23940
194: ok 23941
194: ok 23942
194: ok 23943
194: ok 23944
194: ok 23945
194: ok 23946
194: ok 23947
194: ok 23948
194: ok 23949
194: ok 23950
194: ok 23951
194: ok 23952
194: ok 23953
194: ok 23954
194: ok 23955
194: ok 23956
194: ok 23957
194: ok 23958
194: ok 23959
194: ok 23960
194: ok 23961
194: ok 23962
194: ok 23963
194: ok 23964
194: ok 23965
194: ok 23966
194: ok 23967
194: ok 23968
194: ok 23969
194: ok 23970
194: ok 23971
194: ok 23972
194: ok 23973
194: ok 23974
194: ok 23975
194: ok 23976
194: ok 23977
194: ok 23978
194: ok 23979
194: ok 23980
194: ok 23981
194: ok 23982
194: ok 23983
194: ok 23984
194: ok 23985
194: ok 23986
194: ok 23987
194: ok 23988
194: ok 23989
194: ok 23990
194: ok 23991
194: ok 23992
194: ok 23993
194: ok 23994
194: ok 23995
194: ok 23996
194: ok 23997
194: ok 23998
194: ok 23999
194: ok 24000
194: ok 24001
194: ok 24002
194: ok 24003
194: ok 24004
194: ok 24005
194: ok 24006
194: ok 24007
194: ok 24008
194: ok 24009
194: ok 24010
194: ok 24011
194: ok 24012
194: ok 24013
194: ok 24014
194: ok 24015
194: ok 24016
194: ok 24017
194: ok 24018
194: ok 24019
194: ok 24020
194: ok 24021
194: ok 24022
194: ok 24023
194: ok 24024
194: ok 24025
194: ok 24026
194: ok 24027
194: ok 24028
194: ok 24029
194: ok 24030
194: ok 24031
194: ok 24032
194: ok 24033
194: ok 24034
194: ok 24035
194: ok 24036
194: ok 24037
194: ok 24038
194: ok 24039
194: ok 24040
194: ok 24041
194: ok 24042
194: ok 24043
194: ok 24044
194: ok 24045
194: ok 24046
194: ok 24047
194: ok 24048
194: ok 24049
194: ok 24050
194: ok 24051
194: ok 24052
194: ok 24053
194: ok 24054
194: ok 24055
194: ok 24056
194: ok 24057
194: ok 24058
194: ok 24059
194: ok 24060
194: ok 24061
194: ok 24062
194: ok 24063
194: ok 24064
194: ok 24065
194: ok 24066
194: ok 24067
194: ok 24068
194: ok 24069
194: ok 24070
194: ok 24071
194: ok 24072
194: ok 24073
194: ok 24074
194: ok 24075
194: ok 24076
194: ok 24077
194: ok 24078
194: ok 24079
194: ok 24080
194: ok 24081
194: ok 24082
194: ok 24083
194: ok 24084
194: ok 24085
194: ok 24086
194: ok 24087
194: ok 24088
194: ok 24089
194: ok 24090
194: ok 24091
194: ok 24092
194: ok 24093
194: ok 24094
194: ok 24095
194: ok 24096
194: ok 24097
194: ok 24098
194: ok 24099
194: ok 24100
194: ok 24101
194: ok 24102
194: ok 24103
194: ok 24104
194: ok 24105
194: ok 24106
194: ok 24107
194: ok 24108
194: ok 24109
194: ok 24110
194: ok 24111
194: ok 24112
194: ok 24113
194: ok 24114
194: ok 24115
194: ok 24116
194: ok 24117
194: ok 24118
194: ok 24119
194: ok 24120
194: ok 24121
194: ok 24122
194: ok 24123
194: ok 24124
194: ok 24125
194: ok 24126
194: ok 24127
194: ok 24128
194: ok 24129
194: ok 24130
194: ok 24131
194: ok 24132
194: ok 24133
194: ok 24134
194: ok 24135
194: ok 24136
194: ok 24137
194: ok 24138
194: ok 24139
194: ok 24140
194: ok 24141
194: ok 24142
194: ok 24143
194: ok 24144
194: ok 24145
194: ok 24146
194: ok 24147
194: ok 24148
194: ok 24149
194: ok 24150
194: ok 24151
194: ok 24152
194: ok 24153
194: ok 24154
194: ok 24155
194: ok 24156
194: ok 24157
194: ok 24158
194: ok 24159
194: ok 24160
194: ok 24161
194: ok 24162
194: ok 24163
194: ok 24164
194: ok 24165
194: ok 24166
194: ok 24167
194: ok 24168
194: ok 24169
194: ok 24170
194: ok 24171
194: ok 24172
194: ok 24173
194: ok 24174
194: ok 24175
194: ok 24176
194: ok 24177
194: ok 24178
194: ok 24179
194: ok 24180
194: ok 24181
194: ok 24182
194: ok 24183
194: ok 24184
194: ok 24185
194: ok 24186
194: ok 24187
194: ok 24188
194: ok 24189
194: ok 24190
194: ok 24191
194: ok 24192
194: ok 24193
194: ok 24194
194: ok 24195
194: ok 24196
194: ok 24197
194: ok 24198
194: ok 24199
194: ok 24200
194: ok 24201
194: ok 24202
194: ok 24203
194: ok 24204
194: ok 24205
194: ok 24206
194: ok 24207
194: ok 24208
194: ok 24209
194: ok 24210
194: ok 24211
194: ok 24212
194: ok 24213
194: ok 24214
194: ok 24215
194: ok 24216
194: ok 24217
194: ok 24218
194: ok 24219
194: ok 24220
194: ok 24221
194: ok 24222
194: ok 24223
194: ok 24224
194: ok 24225
194: ok 24226
194: ok 24227
194: ok 24228
194: ok 24229
194: ok 24230
194: ok 24231
194: ok 24232
194: ok 24233
194: ok 24234
194: ok 24235
194: ok 24236
194: ok 24237
194: ok 24238
194: ok 24239
194: ok 24240
194: ok 24241
194: ok 24242
194: ok 24243
194: ok 24244
194: ok 24245
194: ok 24246
194: ok 24247
194: ok 24248
194: ok 24249
194: ok 24250
194: ok 24251
194: ok 24252
194: ok 24253
194: ok 24254
194: ok 24255
194: ok 24256
194: ok 24257
194: ok 24258
194: ok 24259
194: ok 24260
194: ok 24261
194: ok 24262
194: ok 24263
194: ok 24264
194: ok 24265
194: ok 24266
194: ok 24267
194: ok 24268
194: ok 24269
194: ok 24270
194: ok 24271
194: ok 24272
194: ok 24273
194: ok 24274
194: ok 24275
194: ok 24276
194: ok 24277
194: ok 24278
194: ok 24279
194: ok 24280
194: ok 24281
194: ok 24282
194: ok 24283
194: ok 24284
194: ok 24285
194: ok 24286
194: ok 24287
194: ok 24288
194: ok 24289
194: ok 24290
194: ok 24291
194: ok 24292
194: ok 24293
194: ok 24294
194: ok 24295
194: ok 24296
194: ok 24297
194: ok 24298
194: ok 24299
194: ok 24300
194: ok 24301
194: ok 24302
194: ok 24303
194: ok 24304
194: ok 24305
194: ok 24306
194: ok 24307
194: ok 24308
194: ok 24309
194: ok 24310
194: ok 24311
194: ok 24312
194: ok 24313
194: ok 24314
194: ok 24315
194: ok 24316
194: ok 24317
194: ok 24318
194: ok 24319
194: ok 24320
194: ok 24321
194: ok 24322
194: ok 24323
194: ok 24324
194: ok 24325
194: ok 24326
194: ok 24327
194: ok 24328
194: ok 24329
194: ok 24330
194: ok 24331
194: ok 24332
194: ok 24333
194: ok 24334
194: ok 24335
194: ok 24336
194: ok 24337
194: ok 24338
194: ok 24339
194: ok 24340
194: ok 24341
194: ok 24342
194: ok 24343
194: ok 24344
194: ok 24345
194: ok 24346
194: ok 24347
194: ok 24348
194: ok 24349
194: ok 24350
194: ok 24351
194: ok 24352
194: ok 24353
194: ok 24354
194: ok 24355
194: ok 24356
194: ok 24357
194: ok 24358
194: ok 24359
194: ok 24360
194: ok 24361
194: ok 24362
194: ok 24363
194: ok 24364
194: ok 24365
194: ok 24366
194: ok 24367
194: ok 24368
194: ok 24369
194: ok 24370
194: ok 24371
194: ok 24372
194: ok 24373
194: ok 24374
194: ok 24375
194: ok 24376
194: ok 24377
194: ok 24378
194: ok 24379
194: ok 24380
194: ok 24381
194: ok 24382
194: ok 24383
194: ok 24384
194: ok 24385
194: ok 24386
194: ok 24387
194: ok 24388
194: ok 24389
194: ok 24390
194: ok 24391
194: ok 24392
194: ok 24393
194: ok 24394
194: ok 24395
194: ok 24396
194: ok 24397
194: ok 24398
194: ok 24399
194: ok 24400
194: ok 24401
194: ok 24402
194: ok 24403
194: ok 24404
194: ok 24405
194: ok 24406
194: ok 24407
194: ok 24408
194: ok 24409
194: ok 24410
194: ok 24411
194: ok 24412
194: ok 24413
194: ok 24414
194: ok 24415
194: ok 24416
194: ok 24417
194: ok 24418
194: ok 24419
194: ok 24420
194: ok 24421
194: ok 24422
194: ok 24423
194: ok 24424
194: ok 24425
194: ok 24426
194: ok 24427
194: ok 24428
194: ok 24429
194: ok 24430
194: ok 24431
194: ok 24432
194: ok 24433
194: ok 24434
194: ok 24435
194: ok 24436
194: ok 24437
194: ok 24438
194: ok 24439
194: ok 24440
194: ok 24441
194: ok 24442
194: ok 24443
194: ok 24444
194: ok 24445
194: ok 24446
194: ok 24447
194: ok 24448
194: ok 24449
194: ok 24450
194: ok 24451
194: ok 24452
194: ok 24453
194: ok 24454
194: ok 24455
194: ok 24456
194: ok 24457
194: ok 24458
194: ok 24459
194: ok 24460
194: ok 24461
194: ok 24462
194: ok 24463
194: ok 24464
194: ok 24465
194: ok 24466
194: ok 24467
194: ok 24468
194: ok 24469
194: ok 24470
194: ok 24471
194: ok 24472
194: ok 24473
194: ok 24474
194: ok 24475
194: ok 24476
194: ok 24477
194: ok 24478
194: ok 24479
194: ok 24480
194: ok 24481
194: ok 24482
194: ok 24483
194: ok 24484
194: ok 24485
194: ok 24486
194: ok 24487
194: ok 24488
194: ok 24489
194: ok 24490
194: ok 24491
194: ok 24492
194: ok 24493
194: ok 24494
194: ok 24495
194: ok 24496
194: ok 24497
194: ok 24498
194: ok 24499
194: ok 24500
194: ok 24501
194: ok 24502
194: ok 24503
194: ok 24504
194: ok 24505
194: ok 24506
194: ok 24507
194: ok 24508
194: ok 24509
194: ok 24510
194: ok 24511
194: ok 24512
194: ok 24513
194: ok 24514
194: ok 24515
194: ok 24516
194: ok 24517
194: ok 24518
194: ok 24519
194: ok 24520
194: ok 24521
194: ok 24522
194: ok 24523
194: ok 24524
194: ok 24525
194: ok 24526
194: ok 24527
194: ok 24528
194: ok 24529
194: ok 24530
194: ok 24531
194: ok 24532
194: ok 24533
194: ok 24534
194: ok 24535
194: ok 24536
194: ok 24537
194: ok 24538
194: ok 24539
194: ok 24540
194: ok 24541
194: ok 24542
194: ok 24543
194: ok 24544
194: ok 24545
194: ok 24546
194: ok 24547
194: ok 24548
194: ok 24549
194: ok 24550
194: ok 24551
194: ok 24552
194: ok 24553
194: ok 24554
194: ok 24555
194: ok 24556
194: ok 24557
194: ok 24558
194: ok 24559
194: ok 24560
194: ok 24561
194: ok 24562
194: ok 24563
194: ok 24564
194: ok 24565
194: ok 24566
194: ok 24567
194: ok 24568
194: ok 24569
194: ok 24570
194: ok 24571
194: ok 24572
194: ok 24573
194: ok 24574
194: ok 24575
194: ok 24576
194: ok 24577
194: ok 24578
194: ok 24579
194: ok 24580
194: ok 24581
194: ok 24582
194: ok 24583
194: ok 24584
194: ok 24585
194: ok 24586
194: ok 24587
194: ok 24588
194: ok 24589
194: ok 24590
194: ok 24591
194: ok 24592
194: ok 24593
194: ok 24594
194: ok 24595
194: ok 24596
194: ok 24597
194: ok 24598
194: ok 24599
194: ok 24600
194: ok 24601
194: ok 24602
194: ok 24603
194: ok 24604
194: ok 24605
194: ok 24606
194: ok 24607
194: ok 24608
194: ok 24609
194: ok 24610
194: ok 24611
194: ok 24612
194: ok 24613
194: ok 24614
194: ok 24615
194: ok 24616
194: ok 24617
194: ok 24618
194: ok 24619
194: ok 24620
194: ok 24621
194: ok 24622
194: ok 24623
194: ok 24624
194: ok 24625
194: ok 24626
194: ok 24627
194: ok 24628
194: ok 24629
194: ok 24630
194: ok 24631
194: ok 24632
194: ok 24633
194: ok 24634
194: ok 24635
194: ok 24636
194: ok 24637
194: ok 24638
194: ok 24639
194: ok 24640
194: ok 24641
194: ok 24642
194: ok 24643
194: ok 24644
194: ok 24645
194: ok 24646
194: ok 24647
194: ok 24648
194: ok 24649
194: ok 24650
194: ok 24651
194: ok 24652
194: ok 24653
194: ok 24654
194: ok 24655
194: ok 24656
194: ok 24657
194: ok 24658
194: ok 24659
194: ok 24660
194: ok 24661
194: ok 24662
194: ok 24663
194: ok 24664
194: ok 24665
194: ok 24666
194: ok 24667
194: ok 24668
194: ok 24669
194: ok 24670
194: ok 24671
194: ok 24672
194: ok 24673
194: ok 24674
194: ok 24675
194: ok 24676
194: ok 24677
194: ok 24678
194: ok 24679
194: ok 24680
194: ok 24681
194: ok 24682
194: ok 24683
194: ok 24684
194: ok 24685
194: ok 24686
194: ok 24687
194: ok 24688
194: ok 24689
194: ok 24690
194: ok 24691
194: ok 24692
194: ok 24693
194: ok 24694
194: ok 24695
194: ok 24696
194: ok 24697
194: ok 24698
194: ok 24699
194: ok 24700
194: ok 24701
194: ok 24702
194: ok 24703
194: ok 24704
194: ok 24705
194: ok 24706
194: ok 24707
194: ok 24708
194: ok 24709
194: ok 24710
194: ok 24711
194: ok 24712
194: ok 24713
194: ok 24714
194: ok 24715
194: ok 24716
194: ok 24717
194: ok 24718
194: ok 24719
194: ok 24720
194: ok 24721
194: ok 24722
194: ok 24723
194: ok 24724
194: ok 24725
194: ok 24726
194: ok 24727
194: ok 24728
194: ok 24729
194: ok 24730
194: ok 24731
194: ok 24732
194: ok 24733
194: ok 24734
194: ok 24735
194: ok 24736
194: ok 24737
194: ok 24738
194: ok 24739
194: ok 24740
194: ok 24741
194: ok 24742
194: ok 24743
194: ok 24744
194: ok 24745
194: ok 24746
194: ok 24747
194: ok 24748
194: ok 24749
194: ok 24750
194: ok 24751
194: ok 24752
194: ok 24753
194: ok 24754
194: ok 24755
194: ok 24756
194: ok 24757
194: ok 24758
194: ok 24759
194: ok 24760
194: ok 24761
194: ok 24762
194: ok 24763
194: ok 24764
194: ok 24765
194: ok 24766
194: ok 24767
194: ok 24768
194: ok 24769
194: ok 24770
194: ok 24771
194: ok 24772
194: ok 24773
194: ok 24774
194: ok 24775
194: ok 24776
194: ok 24777
194: ok 24778
194: ok 24779
194: ok 24780
194: ok 24781
194: ok 24782
194: ok 24783
194: ok 24784
194: ok 24785
194: ok 24786
194: ok 24787
194: ok 24788
194: ok 24789
194: ok 24790
194: ok 24791
194: ok 24792
194: ok 24793
194: ok 24794
194: ok 24795
194: ok 24796
194: ok 24797
194: ok 24798
194: ok 24799
194: ok 24800
194: ok 24801
194: ok 24802
194: ok 24803
194: ok 24804
194: ok 24805
194: ok 24806
194: ok 24807
194: ok 24808
194: ok 24809
194: ok 24810
194: ok 24811
194: ok 24812
194: ok 24813
194: ok 24814
194: ok 24815
194: ok 24816
194: ok 24817
194: ok 24818
194: ok 24819
194: ok 24820
194: ok 24821
194: ok 24822
194: ok 24823
194: ok 24824
194: ok 24825
194: ok 24826
194: ok 24827
194: ok 24828
194: ok 24829
194: ok 24830
194: ok 24831
194: ok 24832
194: ok 24833
194: ok 24834
194: ok 24835
194: ok 24836
194: ok 24837
194: ok 24838
194: ok 24839
194: ok 24840
194: ok 24841
194: ok 24842
194: ok 24843
194: ok 24844
194: ok 24845
194: ok 24846
194: ok 24847
194: ok 24848
194: ok 24849
194: ok 24850
194: ok 24851
194: ok 24852
194: ok 24853
194: ok 24854
194: ok 24855
194: ok 24856
194: ok 24857
194: ok 24858
194: ok 24859
194: ok 24860
194: ok 24861
194: ok 24862
194: ok 24863
194: ok 24864
194: ok 24865
194: ok 24866
194: ok 24867
194: ok 24868
194: ok 24869
194: ok 24870
194: ok 24871
194: ok 24872
194: ok 24873
194: ok 24874
194: ok 24875
194: ok 24876
194: ok 24877
194: ok 24878
194: ok 24879
194: ok 24880
194: ok 24881
194: ok 24882
194: ok 24883
194: ok 24884
194: ok 24885
194: ok 24886
194: ok 24887
194: ok 24888
194: ok 24889
194: ok 24890
194: ok 24891
194: ok 24892
194: ok 24893
194: ok 24894
194: ok 24895
194: ok 24896
194: ok 24897
194: ok 24898
194: ok 24899
194: ok 24900
194: ok 24901
194: ok 24902
194: ok 24903
194: ok 24904
194: ok 24905
194: ok 24906
194: ok 24907
194: ok 24908
194: ok 24909
194: ok 24910
194: ok 24911
194: ok 24912
194: ok 24913
194: ok 24914
194: ok 24915
194: ok 24916
194: ok 24917
194: ok 24918
194: ok 24919
194: ok 24920
194: ok 24921
194: ok 24922
194: ok 24923
194: ok 24924
194: ok 24925
194: ok 24926
194: ok 24927
194: ok 24928
194: ok 24929
194: ok 24930
194: ok 24931
194: ok 24932
194: ok 24933
194: ok 24934
194: ok 24935
194: ok 24936
194: ok 24937
194: ok 24938
194: ok 24939
194: ok 24940
194: ok 24941
194: ok 24942
194: ok 24943
194: ok 24944
194: ok 24945
194: ok 24946
194: ok 24947
194: ok 24948
194: ok 24949
194: ok 24950
194: ok 24951
194: ok 24952
194: ok 24953
194: ok 24954
194: ok 24955
194: ok 24956
194: ok 24957
194: ok 24958
194: ok 24959
194: ok 24960
194: ok 24961
194: ok 24962
194: ok 24963
194: ok 24964
194: ok 24965
194: ok 24966
194: ok 24967
194: ok 24968
194: ok 24969
194: ok 24970
194: ok 24971
194: ok 24972
194: ok 24973
194: ok 24974
194: ok 24975
194: ok 24976
194: ok 24977
194: ok 24978
194: ok 24979
194: ok 24980
194: ok 24981
194: ok 24982
194: ok 24983
194: ok 24984
194: ok 24985
194: ok 24986
194: ok 24987
194: ok 24988
194: ok 24989
194: ok 24990
194: ok 24991
194: ok 24992
194: ok 24993
194: ok 24994
194: ok 24995
194: ok 24996
194: ok 24997
194: ok 24998
194: ok 24999
194: ok 25000
194: ok 25001
194: ok 25002
194: ok 25003
194: ok 25004
194: ok 25005
194: ok 25006
194: ok 25007
194: ok 25008
194: ok 25009
194: ok 25010
194: ok 25011
194: ok 25012
194: ok 25013
194: ok 25014
194: ok 25015
194: ok 25016
194: ok 25017
194: ok 25018
194: ok 25019
194: ok 25020
194: ok 25021
194: ok 25022
194: ok 25023
194: ok 25024
194: ok 25025
194: ok 25026
194: ok 25027
194: ok 25028
194: ok 25029
194: ok 25030
194: ok 25031
194: ok 25032
194: ok 25033
194: ok 25034
194: ok 25035
194: ok 25036
194: ok 25037
194: ok 25038
194: ok 25039
194: ok 25040
194: ok 25041
194: ok 25042
194: ok 25043
194: ok 25044
194: ok 25045
194: ok 25046
194: ok 25047
194: ok 25048
194: ok 25049
194: ok 25050
194: ok 25051
194: ok 25052
194: ok 25053
194: ok 25054
194: ok 25055
194: ok 25056
194: ok 25057
194: ok 25058
194: ok 25059
194: ok 25060
194: ok 25061
194: ok 25062
194: ok 25063
194: ok 25064
194: ok 25065
194: ok 25066
194: ok 25067
194: ok 25068
194: ok 25069
194: ok 25070
194: ok 25071
194: ok 25072
194: ok 25073
194: ok 25074
194: ok 25075
194: ok 25076
194: ok 25077
194: ok 25078
194: ok 25079
194: ok 25080
194: ok 25081
194: ok 25082
194: ok 25083
194: ok 25084
194: ok 25085
194: ok 25086
194: ok 25087
194: ok 25088
194: ok 25089
194: ok 25090
194: ok 25091
194: ok 25092
194: ok 25093
194: ok 25094
194: ok 25095
194: ok 25096
194: ok 25097
194: ok 25098
194: ok 25099
194: ok 25100
194: ok 25101
194: ok 25102
194: ok 25103
194: ok 25104
194: ok 25105
194: ok 25106
194: ok 25107
194: ok 25108
194: ok 25109
194: ok 25110
194: ok 25111
194: ok 25112
194: ok 25113
194: ok 25114
194: ok 25115
194: ok 25116
194: ok 25117
194: ok 25118
194: ok 25119
194: ok 25120
194: ok 25121
194: ok 25122
194: ok 25123
194: ok 25124
194: ok 25125
194: ok 25126
194: ok 25127
194: ok 25128
194: ok 25129
194: ok 25130
194: ok 25131
194: ok 25132
194: ok 25133
194: ok 25134
194: ok 25135
194: ok 25136
194: ok 25137
194: ok 25138
194: ok 25139
194: ok 25140
194: ok 25141
194: ok 25142
194: ok 25143
194: ok 25144
194: ok 25145
194: ok 25146
194: ok 25147
194: ok 25148
194: ok 25149
194: ok 25150
194: ok 25151
194: ok 25152
194: ok 25153
194: ok 25154
194: ok 25155
194: ok 25156
194: ok 25157
194: ok 25158
194: ok 25159
194: ok 25160
194: ok 25161
194: ok 25162
194: ok 25163
194: ok 25164
194: ok 25165
194: ok 25166
194: ok 25167
194: ok 25168
194: ok 25169
194: ok 25170
194: ok 25171
194: ok 25172
194: ok 25173
194: ok 25174
194: ok 25175
194: ok 25176
194: ok 25177
194: ok 25178
194: ok 25179
194: ok 25180
194: ok 25181
194: ok 25182
194: ok 25183
194: ok 25184
194: ok 25185
194: ok 25186
194: ok 25187
194: ok 25188
194: ok 25189
194: ok 25190
194: ok 25191
194: ok 25192
194: ok 25193
194: ok 25194
194: ok 25195
194: ok 25196
194: ok 25197
194: ok 25198
194: ok 25199
194: ok 25200
194: ok 25201
194: ok 25202
194: ok 25203
194: ok 25204
194: ok 25205
194: ok 25206
194: ok 25207
194: ok 25208
194: ok 25209
194: ok 25210
194: ok 25211
194: ok 25212
194: ok 25213
194: ok 25214
194: ok 25215
194: ok 25216
194: ok 25217
194: ok 25218
194: ok 25219
194: ok 25220
194: ok 25221
194: ok 25222
194: ok 25223
194: ok 25224
194: ok 25225
194: ok 25226
194: ok 25227
194: ok 25228
194: ok 25229
194: ok 25230
194: ok 25231
194: ok 25232
194: ok 25233
194: ok 25234
194: ok 25235
194: ok 25236
194: ok 25237
194: ok 25238
194: ok 25239
194: ok 25240
194: ok 25241
194: ok 25242
194: ok 25243
194: ok 25244
194: ok 25245
194: ok 25246
194: ok 25247
194: ok 25248
194: ok 25249
194: ok 25250
194: ok 25251
194: ok 25252
194: ok 25253
194: ok 25254
194: ok 25255
194: ok 25256
194: ok 25257
194: ok 25258
194: ok 25259
194: ok 25260
194: ok 25261
194: ok 25262
194: ok 25263
194: ok 25264
194: ok 25265
194: ok 25266
194: ok 25267
194: ok 25268
194: ok 25269
194: ok 25270
194: ok 25271
194: ok 25272
194: ok 25273
194: ok 25274
194: ok 25275
194: ok 25276
194: ok 25277
194: ok 25278
194: ok 25279
194: ok 25280
194: ok 25281
194: ok 25282
194: ok 25283
194: ok 25284
194: ok 25285
194: ok 25286
194: ok 25287
194: ok 25288
194: ok 25289
194: ok 25290
194: ok 25291
194: ok 25292
194: ok 25293
194: ok 25294
194: ok 25295
194: ok 25296
194: ok 25297
194: ok 25298
194: ok 25299
194: ok 25300
194: ok 25301
194: ok 25302
194: ok 25303
194: ok 25304
194: ok 25305
194: ok 25306
194: ok 25307
194: ok 25308
194: ok 25309
194: ok 25310
194: ok 25311
194: ok 25312
194: ok 25313
194: ok 25314
194: ok 25315
194: ok 25316
194: ok 25317
194: ok 25318
194: ok 25319
194: ok 25320
194: ok 25321
194: ok 25322
194: ok 25323
194: ok 25324
194: ok 25325
194: ok 25326
194: ok 25327
194: ok 25328
194: ok 25329
194: ok 25330
194: ok 25331
194: ok 25332
194: ok 25333
194: ok 25334
194: ok 25335
194: ok 25336
194: ok 25337
194: ok 25338
194: ok 25339
194: ok 25340
194: ok 25341
194: ok 25342
194: ok 25343
194: ok 25344
194: ok 25345
194: ok 25346
194: ok 25347
194: ok 25348
194: ok 25349
194: ok 25350
194: ok 25351
194: ok 25352
194: ok 25353
194: ok 25354
194: ok 25355
194: ok 25356
194: ok 25357
194: ok 25358
194: ok 25359
194: ok 25360
194: ok 25361
194: ok 25362
194: ok 25363
194: ok 25364
194: ok 25365
194: ok 25366
194: ok 25367
194: ok 25368
194: ok 25369
194: ok 25370
194: ok 25371
194: ok 25372
194: ok 25373
194: ok 25374
194: ok 25375
194: ok 25376
194: ok 25377
194: ok 25378
194: ok 25379
194: ok 25380
194: ok 25381
194: ok 25382
194: ok 25383
194: ok 25384
194: ok 25385
194: ok 25386
194: ok 25387
194: ok 25388
194: ok 25389
194: ok 25390
194: ok 25391
194: ok 25392
194: ok 25393
194: ok 25394
194: ok 25395
194: ok 25396
194: ok 25397
194: ok 25398
194: ok 25399
194: ok 25400
194: ok 25401
194: ok 25402
194: ok 25403
194: ok 25404
194: ok 25405
194: ok 25406
194: ok 25407
194: ok 25408
194: ok 25409
194: ok 25410
194: ok 25411
194: ok 25412
194: ok 25413
194: ok 25414
194: ok 25415
194: ok 25416
194: ok 25417
194: ok 25418
194: ok 25419
194: ok 25420
194: ok 25421
194: ok 25422
194: ok 25423
194: ok 25424
194: ok 25425
194: ok 25426
194: ok 25427
194: ok 25428
194: ok 25429
194: ok 25430
194: ok 25431
194: ok 25432
194: ok 25433
194: ok 25434
194: ok 25435
194: ok 25436
194: ok 25437
194: ok 25438
194: ok 25439
194: ok 25440
194: ok 25441
194: ok 25442
194: ok 25443
194: ok 25444
194: ok 25445
194: ok 25446
194: ok 25447
194: ok 25448
194: ok 25449
194: ok 25450
194: ok 25451
194: ok 25452
194: ok 25453
194: ok 25454
194: ok 25455
194: ok 25456
194: ok 25457
194: ok 25458
194: ok 25459
194: ok 25460
194: ok 25461
194: ok 25462
194: ok 25463
194: ok 25464
194: ok 25465
194: ok 25466
194: ok 25467
194: ok 25468
194: ok 25469
194: ok 25470
194: ok 25471
194: ok 25472
194: ok 25473
194: ok 25474
194: ok 25475
194: ok 25476
194: ok 25477
194: ok 25478
194: ok 25479
194: ok 25480
194: ok 25481
194: ok 25482
194: ok 25483
194: ok 25484
194: ok 25485
194: ok 25486
194: ok 25487
194: ok 25488
194: ok 25489
194: ok 25490
194: ok 25491
194: ok 25492
194: ok 25493
194: ok 25494
194: ok 25495
194: ok 25496
194: ok 25497
194: ok 25498
194: ok 25499
194: ok 25500
194: ok 25501
194: ok 25502
194: ok 25503
194: ok 25504
194: ok 25505
194: ok 25506
194: ok 25507
194: ok 25508
194: ok 25509
194: ok 25510
194: ok 25511
194: ok 25512
194: ok 25513
194: ok 25514
194: ok 25515
194: ok 25516
194: ok 25517
194: ok 25518
194: ok 25519
194: ok 25520
194: ok 25521
194: ok 25522
194: ok 25523
194: ok 25524
194: ok 25525
194: ok 25526
194: ok 25527
194: ok 25528
194: ok 25529
194: ok 25530
194: ok 25531
194: ok 25532
194: ok 25533
194: ok 25534
194: ok 25535
194: ok 25536
194: ok 25537
194: ok 25538
194: ok 25539
194: ok 25540
194: ok 25541
194: ok 25542
194: ok 25543
194: ok 25544
194: ok 25545
194: ok 25546
194: ok 25547
194: ok 25548
194: ok 25549
194: ok 25550
194: ok 25551
194: ok 25552
194: ok 25553
194: ok 25554
194: ok 25555
194: ok 25556
194: ok 25557
194: ok 25558
194: ok 25559
194: ok 25560
194: ok 25561
194: ok 25562
194: ok 25563
194: ok 25564
194: ok 25565
194: ok 25566
194: ok 25567
194: ok 25568
194: ok 25569
194: ok 25570
194: ok 25571
194: ok 25572
194: ok 25573
194: ok 25574
194: ok 25575
194: ok 25576
194: ok 25577
194: ok 25578
194: ok 25579
194: ok 25580
194: ok 25581
194: ok 25582
194: ok 25583
194: ok 25584
194: ok 25585
194: ok 25586
194: ok 25587
194: ok 25588
194: ok 25589
194: ok 25590
194: ok 25591
194: ok 25592
194: ok 25593
194: ok 25594
194: ok 25595
194: ok 25596
194: ok 25597
194: ok 25598
194: ok 25599
194: ok 25600
194: ok 25601
194: ok 25602
194: ok 25603
194: ok 25604
194: ok 25605
194: ok 25606
194: ok 25607
194: ok 25608
194: ok 25609
194: ok 25610
194: ok 25611
194: ok 25612
194: ok 25613
194: ok 25614
194: ok 25615
194: ok 25616
194: ok 25617
194: ok 25618
194: ok 25619
194: ok 25620
194: ok 25621
194: ok 25622
194: ok 25623
194: ok 25624
194: ok 25625
194: ok 25626
194: ok 25627
194: ok 25628
194: ok 25629
194: ok 25630
194: ok 25631
194: ok 25632
194: ok 25633
194: ok 25634
194: ok 25635
194: ok 25636
194: ok 25637
194: ok 25638
194: ok 25639
194: ok 25640
194: ok 25641
194: ok 25642
194: ok 25643
194: ok 25644
194: ok 25645
194: ok 25646
194: ok 25647
194: ok 25648
194: ok 25649
194: ok 25650
194: ok 25651
194: ok 25652
194: ok 25653
194: ok 25654
194: ok 25655
194: ok 25656
194: ok 25657
194: ok 25658
194: ok 25659
194: ok 25660
194: ok 25661
194: ok 25662
194: ok 25663
194: ok 25664
194: ok 25665
194: ok 25666
194: ok 25667
194: ok 25668
194: ok 25669
194: ok 25670
194: ok 25671
194: ok 25672
194: ok 25673
194: ok 25674
194: ok 25675
194: ok 25676
194: ok 25677
194: ok 25678
194: ok 25679
194: ok 25680
194: ok 25681
194: ok 25682
194: ok 25683
194: ok 25684
194: ok 25685
194: ok 25686
194: ok 25687
194: ok 25688
194: ok 25689
194: ok 25690
194: ok 25691
194: ok 25692
194: ok 25693
194: ok 25694
194: ok 25695
194: ok 25696
194: ok 25697
194: ok 25698
194: ok 25699
194: ok 25700
194: ok 25701
194: ok 25702
194: ok 25703
194: ok 25704
194: ok 25705
194: ok 25706
194: ok 25707
194: ok 25708
194: ok 25709
194: ok 25710
194: ok 25711
194: ok 25712
194: ok 25713
194: ok 25714
194: ok 25715
194: ok 25716
194: ok 25717
194: ok 25718
194: ok 25719
194: ok 25720
194: ok 25721
194: ok 25722
194: ok 25723
194: ok 25724
194: ok 25725
194: ok 25726
194: ok 25727
194: ok 25728
194: ok 25729
194: ok 25730
194: ok 25731
194: ok 25732
194: ok 25733
194: ok 25734
194: ok 25735
194: ok 25736
194: ok 25737
194: ok 25738
194: ok 25739
194: ok 25740
194: ok 25741
194: ok 25742
194: ok 25743
194: ok 25744
194: ok 25745
194: ok 25746
194: ok 25747
194: ok 25748
194: ok 25749
194: ok 25750
194: ok 25751
194: ok 25752
194: ok 25753
194: ok 25754
194: ok 25755
194: ok 25756
194: ok 25757
194: ok 25758
194: ok 25759
194: ok 25760
194: ok 25761
194: ok 25762
194: ok 25763
194: ok 25764
194: ok 25765
194: ok 25766
194: ok 25767
194: ok 25768
194: ok 25769
194: ok 25770
194: ok 25771
194: ok 25772
194: ok 25773
194: ok 25774
194: ok 25775
194: ok 25776
194: ok 25777
194: ok 25778
194: ok 25779
194: ok 25780
194: ok 25781
194: ok 25782
194: ok 25783
194: ok 25784
194: ok 25785
194: ok 25786
194: ok 25787
194: ok 25788
194: ok 25789
194: ok 25790
194: ok 25791
194: ok 25792
194: ok 25793
194: ok 25794
194: ok 25795
194: ok 25796
194: ok 25797
194: ok 25798
194: ok 25799
194: ok 25800
194: ok 25801
194: ok 25802
194: ok 25803
194: ok 25804
194: ok 25805
194: ok 25806
194: ok 25807
194: ok 25808
194: ok 25809
194: ok 25810
194: ok 25811
194: ok 25812
194: ok 25813
194: ok 25814
194: ok 25815
194: ok 25816
194: ok 25817
194: ok 25818
194: ok 25819
194: ok 25820
194: ok 25821
194: ok 25822
194: ok 25823
194: ok 25824
194: ok 25825
194: ok 25826
194: ok 25827
194: ok 25828
194: ok 25829
194: ok 25830
194: ok 25831
194: ok 25832
194: ok 25833
194: ok 25834
194: ok 25835
194: ok 25836
194: ok 25837
194: ok 25838
194: ok 25839
194: ok 25840
194: ok 25841
194: ok 25842
194: ok 25843
194: ok 25844
194: ok 25845
194: ok 25846
194: ok 25847
194: ok 25848
194: ok 25849
194: ok 25850
194: ok 25851
194: ok 25852
194: ok 25853
194: ok 25854
194: ok 25855
194: ok 25856
194: ok 25857
194: ok 25858
194: ok 25859
194: ok 25860
194: ok 25861
194: ok 25862
194: ok 25863
194: ok 25864
194: ok 25865
194: ok 25866
194: ok 25867
194: ok 25868
194: ok 25869
194: ok 25870
194: ok 25871
194: ok 25872
194: ok 25873
194: ok 25874
194: ok 25875
194: ok 25876
194: ok 25877
194: ok 25878
194: ok 25879
194: ok 25880
194: ok 25881
194: ok 25882
194: ok 25883
194: ok 25884
194: ok 25885
194: ok 25886
194: ok 25887
194: ok 25888
194: ok 25889
194: ok 25890
194: ok 25891
194: ok 25892
194: ok 25893
194: ok 25894
194: ok 25895
194: ok 25896
194: ok 25897
194: ok 25898
194: ok 25899
194: ok 25900
194: ok 25901
194: ok 25902
194: ok 25903
194: ok 25904
194: ok 25905
194: ok 25906
194: ok 25907
194: ok 25908
194: ok 25909
194: ok 25910
194: ok 25911
194: ok 25912
194: ok 25913
194: ok 25914
194: ok 25915
194: ok 25916
194: ok 25917
194: ok 25918
194: ok 25919
194: ok 25920
194: ok 25921
194: ok 25922
194: ok 25923
194: ok 25924
194: ok 25925
194: ok 25926
194: ok 25927
194: ok 25928
194: ok 25929
194: ok 25930
194: ok 25931
194: ok 25932
194: ok 25933
194: ok 25934
194: ok 25935
194: ok 25936
194: ok 25937
194: ok 25938
194: ok 25939
194: ok 25940
194: ok 25941
194: ok 25942
194: ok 25943
194: ok 25944
194: ok 25945
194: ok 25946
194: ok 25947
194: ok 25948
194: ok 25949
194: ok 25950
194: ok 25951
194: ok 25952
194: ok 25953
194: ok 25954
194: ok 25955
194: ok 25956
194: ok 25957
194: ok 25958
194: ok 25959
194: ok 25960
194: ok 25961
194: ok 25962
194: ok 25963
194: ok 25964
194: ok 25965
194: ok 25966
194: ok 25967
194: ok 25968
194: ok 25969
194: ok 25970
194: ok 25971
194: ok 25972
194: ok 25973
194: ok 25974
194: ok 25975
194: ok 25976
194: ok 25977
194: ok 25978
194: ok 25979
194: ok 25980
194: ok 25981
194: ok 25982
194: ok 25983
194: ok 25984
194: ok 25985
194: ok 25986
194: ok 25987
194: ok 25988
194: ok 25989
194: ok 25990
194: ok 25991
194: ok 25992
194: ok 25993
194: ok 25994
194: ok 25995
194: ok 25996
194: ok 25997
194: ok 25998
194: ok 25999
194: ok 26000
194: ok 26001
194: ok 26002
194: ok 26003
194: ok 26004
194: ok 26005
194: ok 26006
194: ok 26007
194: ok 26008
194: ok 26009
194: ok 26010
194: ok 26011
194: ok 26012
194: ok 26013
194: ok 26014
194: ok 26015
194: ok 26016
194: ok 26017
194: ok 26018
194: ok 26019
194: ok 26020
194: ok 26021
194: ok 26022
194: ok 26023
194: ok 26024
194: ok 26025
194: ok 26026
194: ok 26027
194: ok 26028
194: ok 26029
194: ok 26030
194: ok 26031
194: ok 26032
194: ok 26033
194: ok 26034
194: ok 26035
194: ok 26036
194: ok 26037
194: ok 26038
194: ok 26039
194: ok 26040
194: ok 26041
194: ok 26042
194: ok 26043
194: ok 26044
194: ok 26045
194: ok 26046
194: ok 26047
194: ok 26048
194: ok 26049
194: ok 26050
194: ok 26051
194: ok 26052
194: ok 26053
194: ok 26054
194: ok 26055
194: ok 26056
194: ok 26057
194: ok 26058
194: ok 26059
194: ok 26060
194: ok 26061
194: ok 26062
194: ok 26063
194: ok 26064
194: ok 26065
194: ok 26066
194: ok 26067
194: ok 26068
194: ok 26069
194: ok 26070
194: ok 26071
194: ok 26072
194: ok 26073
194: ok 26074
194: ok 26075
194: ok 26076
194: ok 26077
194: ok 26078
194: ok 26079
194: ok 26080
194: ok 26081
194: ok 26082
194: ok 26083
194: ok 26084
194: ok 26085
194: ok 26086
194: ok 26087
194: ok 26088
194: ok 26089
194: ok 26090
194: ok 26091
194: ok 26092
194: ok 26093
194: ok 26094
194: ok 26095
194: ok 26096
194: ok 26097
194: ok 26098
194: ok 26099
194: ok 26100
194: ok 26101
194: ok 26102
194: ok 26103
194: ok 26104
194: ok 26105
194: ok 26106
194: ok 26107
194: ok 26108
194: ok 26109
194: ok 26110
194: ok 26111
194: ok 26112
194: ok 26113
194: ok 26114
194: ok 26115
194: ok 26116
194: ok 26117
194: ok 26118
194: ok 26119
194: ok 26120
194: ok 26121
194: ok 26122
194: ok 26123
194: ok 26124
194: ok 26125
194: ok 26126
194: ok 26127
194: ok 26128
194: ok 26129
194: ok 26130
194: ok 26131
194: ok 26132
194: ok 26133
194: ok 26134
194: ok 26135
194: ok 26136
194: ok 26137
194: ok 26138
194: ok 26139
194: ok 26140
194: ok 26141
194: ok 26142
194: ok 26143
194: ok 26144
194: ok 26145
194: ok 26146
194: ok 26147
194: ok 26148
194: ok 26149
194: ok 26150
194: ok 26151
194: ok 26152
194: ok 26153
194: ok 26154
194: ok 26155
194: ok 26156
194: ok 26157
194: ok 26158
194: ok 26159
194: ok 26160
194: ok 26161
194: ok 26162
194: ok 26163
194: ok 26164
194: ok 26165
194: ok 26166
194: ok 26167
194: ok 26168
194: ok 26169
194: ok 26170
194: ok 26171
194: ok 26172
194: ok 26173
194: ok 26174
194: ok 26175
194: ok 26176
194: ok 26177
194: ok 26178
194: ok 26179
194: ok 26180
194: ok 26181
194: ok 26182
194: ok 26183
194: ok 26184
194: ok 26185
194: ok 26186
194: ok 26187
194: ok 26188
194: ok 26189
194: ok 26190
194: ok 26191
194: ok 26192
194: ok 26193
194: ok 26194
194: ok 26195
194: ok 26196
194: ok 26197
194: ok 26198
194: ok 26199
194: ok 26200
194: ok 26201
194: ok 26202
194: ok 26203
194: ok 26204
194: ok 26205
194: ok 26206
194: ok 26207
194: ok 26208
194: ok 26209
194: ok 26210
194: ok 26211
194: ok 26212
194: ok 26213
194: ok 26214
194: ok 26215
194: ok 26216
194: ok 26217
194: ok 26218
194: ok 26219
194: ok 26220
194: ok 26221
194: ok 26222
194: ok 26223
194: ok 26224
194: ok 26225
194: ok 26226
194: ok 26227
194: ok 26228
194: ok 26229
194: ok 26230
194: ok 26231
194: ok 26232
194: ok 26233
194: ok 26234
194: ok 26235
194: ok 26236
194: ok 26237
194: ok 26238
194: ok 26239
194: ok 26240
194: ok 26241
194: ok 26242
194: ok 26243
194: ok 26244
194: ok 26245
194: ok 26246
194: ok 26247
194: ok 26248
194: ok 26249
194: ok 26250
194: ok 26251
194: ok 26252
194: ok 26253
194: ok 26254
194: ok 26255
194: ok 26256
194: ok 26257
194: ok 26258
194: ok 26259
194: ok 26260
194: ok 26261
194: ok 26262
194: ok 26263
194: ok 26264
194: ok 26265
194: ok 26266
194: ok 26267
194: ok 26268
194: ok 26269
194: ok 26270
194: ok 26271
194: ok 26272
194: ok 26273
194: ok 26274
194: ok 26275
194: ok 26276
194: ok 26277
194: ok 26278
194: ok 26279
194: ok 26280
194: ok 26281
194: ok 26282
194: ok 26283
194: ok 26284
194: ok 26285
194: ok 26286
194: ok 26287
194: ok 26288
194: ok 26289
194: ok 26290
194: ok 26291
194: ok 26292
194: ok 26293
194: ok 26294
194: ok 26295
194: ok 26296
194: ok 26297
194: ok 26298
194: ok 26299
194: ok 26300
194: ok 26301
194: ok 26302
194: ok 26303
194: ok 26304
194: ok 26305
194: ok 26306
194: ok 26307
194: ok 26308
194: ok 26309
194: ok 26310
194: ok 26311
194: ok 26312
194: ok 26313
194: ok 26314
194: ok 26315
194: ok 26316
194: ok 26317
194: ok 26318
194: ok 26319
194: ok 26320
194: ok 26321
194: ok 26322
194: ok 26323
194: ok 26324
194: ok 26325
194: ok 26326
194: ok 26327
194: ok 26328
194: ok 26329
194: ok 26330
194: ok 26331
194: ok 26332
194: ok 26333
194: ok 26334
194: ok 26335
194: ok 26336
194: ok 26337
194: ok 26338
194: ok 26339
194: ok 26340
194: ok 26341
194: ok 26342
194: ok 26343
194: ok 26344
194: ok 26345
194: ok 26346
194: ok 26347
194: ok 26348
194: ok 26349
194: ok 26350
194: ok 26351
194: ok 26352
194: ok 26353
194: ok 26354
194: ok 26355
194: ok 26356
194: ok 26357
194: ok 26358
194: ok 26359
194: ok 26360
194: ok 26361
194: ok 26362
194: ok 26363
194: ok 26364
194: ok 26365
194: ok 26366
194: ok 26367
194: ok 26368
194: ok 26369
194: ok 26370
194: ok 26371
194: ok 26372
194: ok 26373
194: ok 26374
194: ok 26375
194: ok 26376
194: ok 26377
194: ok 26378
194: ok 26379
194: ok 26380
194: ok 26381
194: ok 26382
194: ok 26383
194: ok 26384
194: ok 26385
194: ok 26386
194: ok 26387
194: ok 26388
194: ok 26389
194: ok 26390
194: ok 26391
194: ok 26392
194: ok 26393
194: ok 26394
194: ok 26395
194: ok 26396
194: ok 26397
194: ok 26398
194: ok 26399
194: ok 26400
194: ok 26401
194: ok 26402
194: ok 26403
194: ok 26404
194: ok 26405
194: ok 26406
194: ok 26407
194: ok 26408
194: ok 26409
194: ok 26410
194: ok 26411
194: ok 26412
194: ok 26413
194: ok 26414
194: ok 26415
194: ok 26416
194: ok 26417
194: ok 26418
194: ok 26419
194: ok 26420
194: ok 26421
194: ok 26422
194: ok 26423
194: ok 26424
194: ok 26425
194: ok 26426
194: ok 26427
194: ok 26428
194: ok 26429
194: ok 26430
194: ok 26431
194: ok 26432
194: ok 26433
194: ok 26434
194: ok 26435
194: ok 26436
194: ok 26437
194: ok 26438
194: ok 26439
194: ok 26440
194: ok 26441
194: ok 26442
194: ok 26443
194: ok 26444
194: ok 26445
194: ok 26446
194: ok 26447
194: ok 26448
194: ok 26449
194: ok 26450
194: ok 26451
194: ok 26452
194: ok 26453
194: ok 26454
194: ok 26455
194: ok 26456
194: ok 26457
194: ok 26458
194: ok 26459
194: ok 26460
194: ok 26461
194: ok 26462
194: ok 26463
194: ok 26464
194: ok 26465
194: ok 26466
194: ok 26467
194: ok 26468
194: ok 26469
194: ok 26470
194: ok 26471
194: ok 26472
194: ok 26473
194: ok 26474
194: ok 26475
194: ok 26476
194: ok 26477
194: ok 26478
194: ok 26479
194: ok 26480
194: ok 26481
194: ok 26482
194: ok 26483
194: ok 26484
194: ok 26485
194: ok 26486
194: ok 26487
194: ok 26488
194: ok 26489
194: ok 26490
194: ok 26491
194: ok 26492
194: ok 26493
194: ok 26494
194: ok 26495
194: ok 26496
194: ok 26497
194: ok 26498
194: ok 26499
194: ok 26500
194: ok 26501
194: ok 26502
194: ok 26503
194: ok 26504
194: ok 26505
194: ok 26506
194: ok 26507
194: ok 26508
194: ok 26509
194: ok 26510
194: ok 26511
194: ok 26512
194: ok 26513
194: ok 26514
194: ok 26515
194: ok 26516
194: ok 26517
194: ok 26518
194: ok 26519
194: ok 26520
194: ok 26521
194: ok 26522
194: ok 26523
194: ok 26524
194: ok 26525
194: ok 26526
194: ok 26527
194: ok 26528
194: ok 26529
194: ok 26530
194: ok 26531
194: ok 26532
194: ok 26533
194: ok 26534
194: ok 26535
194: ok 26536
194: ok 26537
194: ok 26538
194: ok 26539
194: ok 26540
194: ok 26541
194: ok 26542
194: ok 26543
194: ok 26544
194: ok 26545
194: ok 26546
194: ok 26547
194: ok 26548
194: ok 26549
194: ok 26550
194: ok 26551
194: ok 26552
194: ok 26553
194: ok 26554
194: ok 26555
194: ok 26556
194: ok 26557
194: ok 26558
194: ok 26559
194: ok 26560
194: ok 26561
194: ok 26562
194: ok 26563
194: ok 26564
194: ok 26565
194: ok 26566
194: ok 26567
194: ok 26568
194: ok 26569
194: ok 26570
194: ok 26571
194: ok 26572
194: ok 26573
194: ok 26574
194: ok 26575
194: ok 26576
194: ok 26577
194: ok 26578
194: ok 26579
194: ok 26580
194: ok 26581
194: ok 26582
194: ok 26583
194: ok 26584
194: ok 26585
194: ok 26586
194: ok 26587
194: ok 26588
194: ok 26589
194: ok 26590
194: ok 26591
194: ok 26592
194: ok 26593
194: ok 26594
194: ok 26595
194: ok 26596
194: ok 26597
194: ok 26598
194: ok 26599
194: ok 26600
194: ok 26601
194: ok 26602
194: ok 26603
194: ok 26604
194: ok 26605
194: ok 26606
194: ok 26607
194: ok 26608
194: ok 26609
194: ok 26610
194: ok 26611
194: ok 26612
194: ok 26613
194: ok 26614
194: ok 26615
194: ok 26616
194: ok 26617
194: ok 26618
194: ok 26619
194: ok 26620
194: ok 26621
194: ok 26622
194: ok 26623
194: ok 26624
194: ok 26625
194: ok 26626
194: ok 26627
194: ok 26628
194: ok 26629
194: ok 26630
194: ok 26631
194: ok 26632
194: ok 26633
194: ok 26634
194: ok 26635
194: ok 26636
194: ok 26637
194: ok 26638
194: ok 26639
194: ok 26640
194: ok 26641
194: ok 26642
194: ok 26643
194: ok 26644
194: ok 26645
194: ok 26646
194: ok 26647
194: ok 26648
194: ok 26649
194: ok 26650
194: ok 26651
194: ok 26652
194: ok 26653
194: ok 26654
194: ok 26655
194: ok 26656
194: ok 26657
194: ok 26658
194: ok 26659
194: ok 26660
194: ok 26661
194: ok 26662
194: ok 26663
194: ok 26664
194: ok 26665
194: ok 26666
194: ok 26667
194: ok 26668
194: ok 26669
194: ok 26670
194: ok 26671
194: ok 26672
194: ok 26673
194: ok 26674
194: ok 26675
194: ok 26676
194: ok 26677
194: ok 26678
194: ok 26679
194: ok 26680
194: ok 26681
194: ok 26682
194: ok 26683
194: ok 26684
194: ok 26685
194: ok 26686
194: ok 26687
194: ok 26688
194: ok 26689
194: ok 26690
194: ok 26691
194: ok 26692
194: ok 26693
194: ok 26694
194: ok 26695
194: ok 26696
194: ok 26697
194: ok 26698
194: ok 26699
194: ok 26700
194: ok 26701
194: ok 26702
194: ok 26703
194: ok 26704
194: ok 26705
194: ok 26706
194: ok 26707
194: ok 26708
194: ok 26709
194: ok 26710
194: ok 26711
194: ok 26712
194: ok 26713
194: ok 26714
194: ok 26715
194: ok 26716
194: ok 26717
194: ok 26718
194: ok 26719
194: ok 26720
194: ok 26721
194: ok 26722
194: ok 26723
194: ok 26724
194: ok 26725
194: ok 26726
194: ok 26727
194: ok 26728
194: ok 26729
194: ok 26730
194: ok 26731
194: ok 26732
194: ok 26733
194: ok 26734
194: ok 26735
194: ok 26736
194: ok 26737
194: ok 26738
194: ok 26739
194: ok 26740
194: ok 26741
194: ok 26742
194: ok 26743
194: ok 26744
194: ok 26745
194: ok 26746
194: ok 26747
194: ok 26748
194: ok 26749
194: ok 26750
194: ok 26751
194: ok 26752
194: ok 26753
194: ok 26754
194: ok 26755
194: ok 26756
194: ok 26757
194: ok 26758
194: ok 26759
194: ok 26760
194: ok 26761
194: ok 26762
194: ok 26763
194: ok 26764
194: ok 26765
194: ok 26766
194: ok 26767
194: ok 26768
194: ok 26769
194: ok 26770
194: ok 26771
194: ok 26772
194: ok 26773
194: ok 26774
194: ok 26775
194: ok 26776
194: ok 26777
194: ok 26778
194: ok 26779
194: ok 26780
194: ok 26781
194: ok 26782
194: ok 26783
194: ok 26784
194: ok 26785
194: ok 26786
194: ok 26787
194: ok 26788
194: ok 26789
194: ok 26790
194: ok 26791
194: ok 26792
194: ok 26793
194: ok 26794
194: ok 26795
194: ok 26796
194: ok 26797
194: ok 26798
194: ok 26799
194: ok 26800
194: ok 26801
194: ok 26802
194: ok 26803
194: ok 26804
194: ok 26805
194: ok 26806
194: ok 26807
194: ok 26808
194: ok 26809
194: ok 26810
194: ok 26811
194: ok 26812
194: ok 26813
194: ok 26814
194: ok 26815
194: ok 26816
194: ok 26817
194: ok 26818
194: ok 26819
194: ok 26820
194: ok 26821
194: ok 26822
194: ok 26823
194: ok 26824
194: ok 26825
194: ok 26826
194: ok 26827
194: ok 26828
194: ok 26829
194: ok 26830
194: ok 26831
194: ok 26832
194: ok 26833
194: ok 26834
194: ok 26835
194: ok 26836
194: ok 26837
194: ok 26838
194: ok 26839
194: ok 26840
194: ok 26841
194: ok 26842
194: ok 26843
194: ok 26844
194: ok 26845
194: ok 26846
194: ok 26847
194: ok 26848
194: ok 26849
194: ok 26850
194: ok 26851
194: ok 26852
194: ok 26853
194: ok 26854
194: ok 26855
194: ok 26856
194: ok 26857
194: ok 26858
194: ok 26859
194: ok 26860
194: ok 26861
194: ok 26862
194: ok 26863
194: ok 26864
194: ok 26865
194: ok 26866
194: ok 26867
194: ok 26868
194: ok 26869
194: ok 26870
194: ok 26871
194: ok 26872
194: ok 26873
194: ok 26874
194: ok 26875
194: ok 26876
194: ok 26877
194: ok 26878
194: ok 26879
194: ok 26880
194: ok 26881
194: ok 26882
194: ok 26883
194: ok 26884
194: ok 26885
194: ok 26886
194: ok 26887
194: ok 26888
194: ok 26889
194: ok 26890
194: ok 26891
194: ok 26892
194: ok 26893
194: ok 26894
194: ok 26895
194: ok 26896
194: ok 26897
194: ok 26898
194: ok 26899
194: ok 26900
194: ok 26901
194: ok 26902
194: ok 26903
194: ok 26904
194: ok 26905
194: ok 26906
194: ok 26907
194: ok 26908
194: ok 26909
194: ok 26910
194: ok 26911
194: ok 26912
194: ok 26913
194: ok 26914
194: ok 26915
194: ok 26916
194: ok 26917
194: ok 26918
194: ok 26919
194: ok 26920
194: ok 26921
194: ok 26922
194: ok 26923
194: ok 26924
194: ok 26925
194: ok 26926
194: ok 26927
194: ok 26928
194: ok 26929
194: ok 26930
194: ok 26931
194: ok 26932
194: ok 26933
194: ok 26934
194: ok 26935
194: ok 26936
194: ok 26937
194: ok 26938
194: ok 26939
194: ok 26940
194: ok 26941
194: ok 26942
194: ok 26943
194: ok 26944
194: ok 26945
194: ok 26946
194: ok 26947
194: ok 26948
194: ok 26949
194: ok 26950
194: ok 26951
194: ok 26952
194: ok 26953
194: ok 26954
194: ok 26955
194: ok 26956
194: ok 26957
194: ok 26958
194: ok 26959
194: ok 26960
194: ok 26961
194: ok 26962
194: ok 26963
194: ok 26964
194: ok 26965
194: ok 26966
194: ok 26967
194: ok 26968
194: ok 26969
194: ok 26970
194: ok 26971
194: ok 26972
194: ok 26973
194: ok 26974
194: ok 26975
194: ok 26976
194: ok 26977
194: ok 26978
194: ok 26979
194: ok 26980
194: ok 26981
194: ok 26982
194: ok 26983
194: ok 26984
194: ok 26985
194: ok 26986
194: ok 26987
194: ok 26988
194: ok 26989
194: ok 26990
194: ok 26991
194: ok 26992
194: ok 26993
194: ok 26994
194: ok 26995
194: ok 26996
194: ok 26997
194: ok 26998
194: ok 26999
194: ok 27000
194: ok 27001
194: ok 27002
194: ok 27003
194: ok 27004
194: ok 27005
194: ok 27006
194: ok 27007
194: ok 27008
194: ok 27009
194: ok 27010
194: ok 27011
194: ok 27012
194: ok 27013
194: ok 27014
194: ok 27015
194: ok 27016
194: ok 27017
194: ok 27018
194: ok 27019
194: ok 27020
194: ok 27021
194: ok 27022
194: ok 27023
194: ok 27024
194: ok 27025
194: ok 27026
194: ok 27027
194: ok 27028
194: ok 27029
194: ok 27030
194: ok 27031
194: ok 27032
194: ok 27033
194: ok 27034
194: ok 27035
194: ok 27036
194: ok 27037
194: ok 27038
194: ok 27039
194: ok 27040
194: ok 27041
194: ok 27042
194: ok 27043
194: ok 27044
194: ok 27045
194: ok 27046
194: ok 27047
194: ok 27048
194: ok 27049
194: ok 27050
194: ok 27051
194: ok 27052
194: ok 27053
194: ok 27054
194: ok 27055
194: ok 27056
194: ok 27057
194: ok 27058
194: ok 27059
194: ok 27060
194: ok 27061
194: ok 27062
194: ok 27063
194: ok 27064
194: ok 27065
194: ok 27066
194: ok 27067
194: ok 27068
194: ok 27069
194: ok 27070
194: ok 27071
194: ok 27072
194: ok 27073
194: ok 27074
194: ok 27075
194: ok 27076
194: ok 27077
194: ok 27078
194: ok 27079
194: ok 27080
194: ok 27081
194: ok 27082
194: ok 27083
194: ok 27084
194: ok 27085
194: ok 27086
194: ok 27087
194: ok 27088
194: ok 27089
194: ok 27090
194: ok 27091
194: ok 27092
194: ok 27093
194: ok 27094
194: ok 27095
194: ok 27096
194: ok 27097
194: ok 27098
194: ok 27099
194: ok 27100
194: ok 27101
194: ok 27102
194: ok 27103
194: ok 27104
194: ok 27105
194: ok 27106
194: ok 27107
194: ok 27108
194: ok 27109
194: ok 27110
194: ok 27111
194: ok 27112
194: ok 27113
194: ok 27114
194: ok 27115
194: ok 27116
194: ok 27117
194: ok 27118
194: ok 27119
194: ok 27120
194: ok 27121
194: ok 27122
194: ok 27123
194: ok 27124
194: ok 27125
194: ok 27126
194: ok 27127
194: ok 27128
194: ok 27129
194: ok 27130
194: ok 27131
194: ok 27132
194: ok 27133
194: ok 27134
194: ok 27135
194: ok 27136
194: ok 27137
194: ok 27138
194: ok 27139
194: ok 27140
194: ok 27141
194: ok 27142
194: ok 27143
194: ok 27144
194: ok 27145
194: ok 27146
194: ok 27147
194: ok 27148
194: ok 27149
194: ok 27150
194: ok 27151
194: ok 27152
194: ok 27153
194: ok 27154
194: ok 27155
194: ok 27156
194: ok 27157
194: ok 27158
194: ok 27159
194: ok 27160
194: ok 27161
194: ok 27162
194: ok 27163
194: ok 27164
194: ok 27165
194: ok 27166
194: ok 27167
194: ok 27168
194: ok 27169
194: ok 27170
194: ok 27171
194: ok 27172
194: ok 27173
194: ok 27174
194: ok 27175
194: ok 27176
194: ok 27177
194: ok 27178
194: ok 27179
194: ok 27180
194: ok 27181
194: ok 27182
194: ok 27183
194: ok 27184
194: ok 27185
194: ok 27186
194: ok 27187
194: ok 27188
194: ok 27189
194: ok 27190
194: ok 27191
194: ok 27192
194: ok 27193
194: ok 27194
194: ok 27195
194: ok 27196
194: ok 27197
194: ok 27198
194: ok 27199
194: ok 27200
194: ok 27201
194: ok 27202
194: ok 27203
194: ok 27204
194: ok 27205
194: ok 27206
194: ok 27207
194: ok 27208
194: ok 27209
194: ok 27210
194: ok 27211
194: ok 27212
194: ok 27213
194: ok 27214
194: ok 27215
194: ok 27216
194: ok 27217
194: ok 27218
194: ok 27219
194: ok 27220
194: ok 27221
194: ok 27222
194: ok 27223
194: ok 27224
194: ok 27225
194: ok 27226
194: ok 27227
194: ok 27228
194: ok 27229
194: ok 27230
194: ok 27231
194: ok 27232
194: ok 27233
194: ok 27234
194: ok 27235
194: ok 27236
194: ok 27237
194: ok 27238
194: ok 27239
194: ok 27240
194: ok 27241
194: ok 27242
194: ok 27243
194: ok 27244
194: ok 27245
194: ok 27246
194: ok 27247
194: ok 27248
194: ok 27249
194: ok 27250
194: ok 27251
194: ok 27252
194: ok 27253
194: ok 27254
194: ok 27255
194: ok 27256
194: ok 27257
194: ok 27258
194: ok 27259
194: ok 27260
194: ok 27261
194: ok 27262
194: ok 27263
194: ok 27264
194: ok 27265
194: ok 27266
194: ok 27267
194: ok 27268
194: ok 27269
194: ok 27270
194: ok 27271
194: ok 27272
194: ok 27273
194: ok 27274
194: ok 27275
194: ok 27276
194: ok 27277
194: ok 27278
194: ok 27279
194: ok 27280
194: ok 27281
194: ok 27282
194: ok 27283
194: ok 27284
194: ok 27285
194: ok 27286
194: ok 27287
194: ok 27288
194: ok 27289
194: ok 27290
194: ok 27291
194: ok 27292
194: ok 27293
194: ok 27294
194: ok 27295
194: ok 27296
194: ok 27297
194: ok 27298
194: ok 27299
194: ok 27300
194: ok 27301
194: ok 27302
194: ok 27303
194: ok 27304
194: ok 27305
194: ok 27306
194: ok 27307
194: ok 27308
194: ok 27309
194: ok 27310
194: ok 27311
194: ok 27312
194: ok 27313
194: ok 27314
194: ok 27315
194: ok 27316
194: ok 27317
194: ok 27318
194: ok 27319
194: ok 27320
194: ok 27321
194: ok 27322
194: ok 27323
194: ok 27324
194: ok 27325
194: ok 27326
194: ok 27327
194: ok 27328
194: ok 27329
194: ok 27330
194: ok 27331
194: ok 27332
194: ok 27333
194: ok 27334
194: ok 27335
194: ok 27336
194: ok 27337
194: ok 27338
194: ok 27339
194: ok 27340
194: ok 27341
194: ok 27342
194: ok 27343
194: ok 27344
194: ok 27345
194: ok 27346
194: ok 27347
194: ok 27348
194: ok 27349
194: ok 27350
194: ok 27351
194: ok 27352
194: ok 27353
194: ok 27354
194: ok 27355
194: ok 27356
194: ok 27357
194: ok 27358
194: ok 27359
194: ok 27360
194: ok 27361
194: ok 27362
194: ok 27363
194: ok 27364
194: ok 27365
194: ok 27366
194: ok 27367
194: ok 27368
194: ok 27369
194: ok 27370
194: ok 27371
194: ok 27372
194: ok 27373
194: ok 27374
194: ok 27375
194: ok 27376
194: ok 27377
194: ok 27378
194: ok 27379
194: ok 27380
194: ok 27381
194: ok 27382
194: ok 27383
194: ok 27384
194: ok 27385
194: ok 27386
194: ok 27387
194: ok 27388
194: ok 27389
194: ok 27390
194: ok 27391
194: ok 27392
194: ok 27393
194: ok 27394
194: ok 27395
194: ok 27396
194: ok 27397
194: ok 27398
194: ok 27399
194: ok 27400
194: ok 27401
194: ok 27402
194: ok 27403
194: ok 27404
194: ok 27405
194: ok 27406
194: ok 27407
194: ok 27408
194: ok 27409
194: ok 27410
194: ok 27411
194: ok 27412
194: ok 27413
194: ok 27414
194: ok 27415
194: ok 27416
194: ok 27417
194: ok 27418
194: ok 27419
194: ok 27420
194: ok 27421
194: ok 27422
194: ok 27423
194: ok 27424
194: ok 27425
194: ok 27426
194: ok 27427
194: ok 27428
194: ok 27429
194: ok 27430
194: ok 27431
194: ok 27432
194: ok 27433
194: ok 27434
194: ok 27435
194: ok 27436
194: ok 27437
194: ok 27438
194: ok 27439
194: ok 27440
194: ok 27441
194: ok 27442
194: ok 27443
194: ok 27444
194: ok 27445
194: ok 27446
194: ok 27447
194: ok 27448
194: ok 27449
194: ok 27450
194: ok 27451
194: ok 27452
194: ok 27453
194: ok 27454
194: ok 27455
194: ok 27456
194: ok 27457
194: ok 27458
194: ok 27459
194: ok 27460
194: ok 27461
194: ok 27462
194: ok 27463
194: ok 27464
194: ok 27465
194: ok 27466
194: ok 27467
194: ok 27468
194: ok 27469
194: ok 27470
194: ok 27471
194: ok 27472
194: ok 27473
194: ok 27474
194: ok 27475
194: ok 27476
194: ok 27477
194: ok 27478
194: ok 27479
194: ok 27480
194: ok 27481
194: ok 27482
194: ok 27483
194: ok 27484
194: ok 27485
194: ok 27486
194: ok 27487
194: ok 27488
194: ok 27489
194: ok 27490
194: ok 27491
194: ok 27492
194: ok 27493
194: ok 27494
194: ok 27495
194: ok 27496
194: ok 27497
194: ok 27498
194: ok 27499
194: ok 27500
194: ok 27501
194: ok 27502
194: ok 27503
194: ok 27504
194: ok 27505
194: ok 27506
194: ok 27507
194: ok 27508
194: ok 27509
194: ok 27510
194: ok 27511
194: ok 27512
194: ok 27513
194: ok 27514
194: ok 27515
194: ok 27516
194: ok 27517
194: ok 27518
194: ok 27519
194: ok 27520
194: ok 27521
194: ok 27522
194: ok 27523
194: ok 27524
194: ok 27525
194: ok 27526
194: ok 27527
194: ok 27528
194: ok 27529
194: ok 27530
194: ok 27531
194: ok 27532
194: ok 27533
194: ok 27534
194: ok 27535
194: ok 27536
194: ok 27537
194: ok 27538
194: ok 27539
194: ok 27540
194: ok 27541
194: ok 27542
194: ok 27543
194: ok 27544
194: ok 27545
194: ok 27546
194: ok 27547
194: ok 27548
194: ok 27549
194: ok 27550
194: ok 27551
194: ok 27552
194: ok 27553
194: ok 27554
194: ok 27555
194: ok 27556
194: ok 27557
194: ok 27558
194: ok 27559
194: ok 27560
194: ok 27561
194: ok 27562
194: ok 27563
194: ok 27564
194: ok 27565
194: ok 27566
194: ok 27567
194: ok 27568
194: ok 27569
194: ok 27570
194: ok 27571
194: ok 27572
194: ok 27573
194: ok 27574
194: ok 27575
194: ok 27576
194: ok 27577
194: ok 27578
194: ok 27579
194: ok 27580
194: ok 27581
194: ok 27582
194: ok 27583
194: ok 27584
194: ok 27585
194: ok 27586
194: ok 27587
194: ok 27588
194: ok 27589
194: ok 27590
194: ok 27591
194: ok 27592
194: ok 27593
194: ok 27594
194: ok 27595
194: ok 27596
194: ok 27597
194: ok 27598
194: ok 27599
194: ok 27600
194: ok 27601
194: ok 27602
194: ok 27603
194: ok 27604
194: ok 27605
194: ok 27606
194: ok 27607
194: ok 27608
194: ok 27609
194: ok 27610
194: ok 27611
194: ok 27612
194: ok 27613
194: ok 27614
194: ok 27615
194: ok 27616
194: ok 27617
194: ok 27618
194: ok 27619
194: ok 27620
194: ok 27621
194: ok 27622
194: ok 27623
194: ok 27624
194: ok 27625
194: ok 27626
194: ok 27627
194: ok 27628
194: ok 27629
194: ok 27630
194: ok 27631
194: ok 27632
194: ok 27633
194: ok 27634
194: ok 27635
194: ok 27636
194: ok 27637
194: ok 27638
194: ok 27639
194: ok 27640
194: ok 27641
194: ok 27642
194: ok 27643
194: ok 27644
194: ok 27645
194: ok 27646
194: ok 27647
194: ok 27648
194: ok 27649
194: ok 27650
194: ok 27651
194: ok 27652
194: ok 27653
194: ok 27654
194: ok 27655
194: ok 27656
194: ok 27657
194: ok 27658
194: ok 27659
194: ok 27660
194: ok 27661
194: ok 27662
194: ok 27663
194: ok 27664
194: ok 27665
194: ok 27666
194: ok 27667
194: ok 27668
194: ok 27669
194: ok 27670
194: ok 27671
194: ok 27672
194: ok 27673
194: ok 27674
194: ok 27675
194: ok 27676
194: ok 27677
194: ok 27678
194: ok 27679
194: ok 27680
194: ok 27681
194: ok 27682
194: ok 27683
194: ok 27684
194: ok 27685
194: ok 27686
194: ok 27687
194: ok 27688
194: ok 27689
194: ok 27690
194: ok 27691
194: ok 27692
194: ok 27693
194: ok 27694
194: ok 27695
194: ok 27696
194: ok 27697
194: ok 27698
194: ok 27699
194: ok 27700
194: ok 27701
194: ok 27702
194: ok 27703
194: ok 27704
194: ok 27705
194: ok 27706
194: ok 27707
194: ok 27708
194: ok 27709
194: ok 27710
194: ok 27711
194: ok 27712
194: ok 27713
194: ok 27714
194: ok 27715
194: ok 27716
194: ok 27717
194: ok 27718
194: ok 27719
194: ok 27720
194: ok 27721
194: ok 27722
194: ok 27723
194: ok 27724
194: ok 27725
194: ok 27726
194: ok 27727
194: ok 27728
194: ok 27729
194: ok 27730
194: ok 27731
194: ok 27732
194: ok 27733
194: ok 27734
194: ok 27735
194: ok 27736
194: ok 27737
194: ok 27738
194: ok 27739
194: ok 27740
194: ok 27741
194: ok 27742
194: ok 27743
194: ok 27744
194: ok 27745
194: ok 27746
194: ok 27747
194: ok 27748
194: ok 27749
194: ok 27750
194: ok 27751
194: ok 27752
194: ok 27753
194: ok 27754
194: ok 27755
194: ok 27756
194: ok 27757
194: ok 27758
194: ok 27759
194: ok 27760
194: ok 27761
194: ok 27762
194: ok 27763
194: ok 27764
194: ok 27765
194: ok 27766
194: ok 27767
194: ok 27768
194: ok 27769
194: ok 27770
194: ok 27771
194: ok 27772
194: ok 27773
194: ok 27774
194: ok 27775
194: ok 27776
194: ok 27777
194: ok 27778
194: ok 27779
194: ok 27780
194: ok 27781
194: ok 27782
194: ok 27783
194: ok 27784
194: ok 27785
194: ok 27786
194: ok 27787
194: ok 27788
194: ok 27789
194: ok 27790
194: ok 27791
194: ok 27792
194: ok 27793
194: ok 27794
194: ok 27795
194: ok 27796
194: ok 27797
194: ok 27798
194: ok 27799
194: ok 27800
194: ok 27801
194: ok 27802
194: ok 27803
194: ok 27804
194: ok 27805
194: ok 27806
194: ok 27807
194: ok 27808
194: ok 27809
194: ok 27810
194: ok 27811
194: ok 27812
194: ok 27813
194: ok 27814
194: ok 27815
194: ok 27816
194: ok 27817
194: ok 27818
194: ok 27819
194: ok 27820
194: ok 27821
194: ok 27822
194: ok 27823
194: ok 27824
194: ok 27825
194: ok 27826
194: ok 27827
194: ok 27828
194: ok 27829
194: ok 27830
194: ok 27831
194: ok 27832
194: ok 27833
194: ok 27834
194: ok 27835
194: ok 27836
194: ok 27837
194: ok 27838
194: ok 27839
194: ok 27840
194: ok 27841
194: ok 27842
194: ok 27843
194: ok 27844
194: ok 27845
194: ok 27846
194: ok 27847
194: ok 27848
194: ok 27849
194: ok 27850
194: ok 27851
194: ok 27852
194: ok 27853
194: ok 27854
194: ok 27855
194: ok 27856
194: ok 27857
194: ok 27858
194: ok 27859
194: ok 27860
194: ok 27861
194: ok 27862
194: ok 27863
194: ok 27864
194: ok 27865
194: ok 27866
194: ok 27867
194: ok 27868
194: ok 27869
194: ok 27870
194: ok 27871
194: ok 27872
194: ok 27873
194: ok 27874
194: ok 27875
194: ok 27876
194: ok 27877
194: ok 27878
194: ok 27879
194: ok 27880
194: ok 27881
194: ok 27882
194: ok 27883
194: ok 27884
194: ok 27885
194: ok 27886
194: ok 27887
194: ok 27888
194: ok 27889
194: ok 27890
194: ok 27891
194: ok 27892
194: ok 27893
194: ok 27894
194: ok 27895
194: ok 27896
194: ok 27897
194: ok 27898
194: ok 27899
194: ok 27900
194: ok 27901
194: ok 27902
194: ok 27903
194: ok 27904
194: ok 27905
194: ok 27906
194: ok 27907
194: ok 27908
194: ok 27909
194: ok 27910
194: ok 27911
194: ok 27912
194: ok 27913
194: ok 27914
194: ok 27915
194: ok 27916
194: ok 27917
194: ok 27918
194: ok 27919
194: ok 27920
194: ok 27921
194: ok 27922
194: ok 27923
194: ok 27924
194: ok 27925
194: ok 27926
194: ok 27927
194: ok 27928
194: ok 27929
194: ok 27930
194: ok 27931
194: ok 27932
194: ok 27933
194: ok 27934
194: ok 27935
194: ok 27936
194: ok 27937
194: ok 27938
194: ok 27939
194: ok 27940
194: ok 27941
194: ok 27942
194: ok 27943
194: ok 27944
194: ok 27945
194: ok 27946
194: ok 27947
194: ok 27948
194: ok 27949
194: ok 27950
194: ok 27951
194: ok 27952
194: ok 27953
194: ok 27954
194: ok 27955
194: ok 27956
194: ok 27957
194: ok 27958
194: ok 27959
194: ok 27960
194: ok 27961
194: ok 27962
194: ok 27963
194: ok 27964
194: ok 27965
194: ok 27966
194: ok 27967
194: ok 27968
194: ok 27969
194: ok 27970
194: ok 27971
194: ok 27972
194: ok 27973
194: ok 27974
194: ok 27975
194: ok 27976
194: ok 27977
194: ok 27978
194: ok 27979
194: ok 27980
194: ok 27981
194: ok 27982
194: ok 27983
194: ok 27984
194: ok 27985
194: ok 27986
194: ok 27987
194: ok 27988
194: ok 27989
194: ok 27990
194: ok 27991
194: ok 27992
194: ok 27993
194: ok 27994
194: ok 27995
194: ok 27996
194: ok 27997
194: ok 27998
194: ok 27999
194: ok 28000
194: ok 28001
194: ok 28002
194: ok 28003
194: ok 28004
194: ok 28005
194: ok 28006
194: ok 28007
194: ok 28008
194: ok 28009
194: ok 28010
194: ok 28011
194: ok 28012
194: ok 28013
194: ok 28014
194: ok 28015
194: ok 28016
194: ok 28017
194: ok 28018
194: ok 28019
194: ok 28020
194: ok 28021
194: ok 28022
194: ok 28023
194: ok 28024
194: ok 28025
194: ok 28026
194: ok 28027
194: ok 28028
194: ok 28029
194: ok 28030
194: ok 28031
194: ok 28032
194: ok 28033
194: ok 28034
194: ok 28035
194: ok 28036
194: ok 28037
194: ok 28038
194: ok 28039
194: ok 28040
194: ok 28041
194: ok 28042
194: ok 28043
194: ok 28044
194: ok 28045
194: ok 28046
194: ok 28047
194: ok 28048
194: ok 28049
194: ok 28050
194: ok 28051
194: ok 28052
194: ok 28053
194: ok 28054
194: ok 28055
194: ok 28056
194: ok 28057
194: ok 28058
194: ok 28059
194: ok 28060
194: ok 28061
194: ok 28062
194: ok 28063
194: ok 28064
194: ok 28065
194: ok 28066
194: ok 28067
194: ok 28068
194: ok 28069
194: ok 28070
194: ok 28071
194: ok 28072
194: ok 28073
194: ok 28074
194: ok 28075
194: ok 28076
194: ok 28077
194: ok 28078
194: ok 28079
194: ok 28080
194: ok 28081
194: ok 28082
194: ok 28083
194: ok 28084
194: ok 28085
194: ok 28086
194: ok 28087
194: ok 28088
194: ok 28089
194: ok 28090
194: ok 28091
194: ok 28092
194: ok 28093
194: ok 28094
194: ok 28095
194: ok 28096
194: ok 28097
194: ok 28098
194: ok 28099
194: ok 28100
194: ok 28101
194: ok 28102
194: ok 28103
194: ok 28104
194: ok 28105
194: ok 28106
194: ok 28107
194: ok 28108
194: ok 28109
194: ok 28110
194: ok 28111
194: ok 28112
194: ok 28113
194: ok 28114
194: ok 28115
194: ok 28116
194: ok 28117
194: ok 28118
194: ok 28119
194: ok 28120
194: ok 28121
194: ok 28122
194: ok 28123
194: ok 28124
194: ok 28125
194: ok 28126
194: ok 28127
194: ok 28128
194: ok 28129
194: ok 28130
194: ok 28131
194: ok 28132
194: ok 28133
194: ok 28134
194: ok 28135
194: ok 28136
194: ok 28137
194: ok 28138
194: ok 28139
194: ok 28140
194: ok 28141
194: ok 28142
194: ok 28143
194: ok 28144
194: ok 28145
194: ok 28146
194: ok 28147
194: ok 28148
194: ok 28149
194: ok 28150
194: ok 28151
194: ok 28152
194: ok 28153
194: ok 28154
194: ok 28155
194: ok 28156
194: ok 28157
194: ok 28158
194: ok 28159
194: ok 28160
194: ok 28161
194: ok 28162
194: ok 28163
194: ok 28164
194: ok 28165
194: ok 28166
194: ok 28167
194: ok 28168
194: ok 28169
194: ok 28170
194: ok 28171
194: ok 28172
194: ok 28173
194: ok 28174
194: ok 28175
194: ok 28176
194: ok 28177
194: ok 28178
194: ok 28179
194: ok 28180
194: ok 28181
194: ok 28182
194: ok 28183
194: ok 28184
194: ok 28185
194: ok 28186
194: ok 28187
194: ok 28188
194: ok 28189
194: ok 28190
194: ok 28191
194: ok 28192
194: ok 28193
194: ok 28194
194: ok 28195
194: ok 28196
194: ok 28197
194: ok 28198
194: ok 28199
194: ok 28200
194: ok 28201
194: ok 28202
194: ok 28203
194: ok 28204
194: ok 28205
194: ok 28206
194: ok 28207
194: ok 28208
194: ok 28209
194: ok 28210
194: ok 28211
194: ok 28212
194: ok 28213
194: ok 28214
194: ok 28215
194: ok 28216
194: ok 28217
194: ok 28218
194: ok 28219
194: ok 28220
194: ok 28221
194: ok 28222
194: ok 28223
194: ok 28224
194: ok 28225
194: ok 28226
194: ok 28227
194: ok 28228
194: ok 28229
194: ok 28230
194: ok 28231
194: ok 28232
194: ok 28233
194: ok 28234
194: ok 28235
194: ok 28236
194: ok 28237
194: ok 28238
194: ok 28239
194: ok 28240
194: ok 28241
194: ok 28242
194: ok 28243
194: ok 28244
194: ok 28245
194: ok 28246
194: ok 28247
194: ok 28248
194: ok 28249
194: ok 28250
194: ok 28251
194: ok 28252
194: ok 28253
194: ok 28254
194: ok 28255
194: ok 28256
194: ok 28257
194: ok 28258
194: ok 28259
194: ok 28260
194: ok 28261
194: ok 28262
194: ok 28263
194: ok 28264
194: ok 28265
194: ok 28266
194: ok 28267
194: ok 28268
194: ok 28269
194: ok 28270
194: ok 28271
194: ok 28272
194: ok 28273
194: ok 28274
194: ok 28275
194: ok 28276
194: ok 28277
194: ok 28278
194: ok 28279
194: ok 28280
194: ok 28281
194: ok 28282
194: ok 28283
194: ok 28284
194: ok 28285
194: ok 28286
194: ok 28287
194: ok 28288
194: ok 28289
194: ok 28290
194: ok 28291
194: ok 28292
194: ok 28293
194: ok 28294
194: ok 28295
194: ok 28296
194: ok 28297
194: ok 28298
194: ok 28299
194: ok 28300
194: ok 28301
194: ok 28302
194: ok 28303
194: ok 28304
194: ok 28305
194: ok 28306
194: ok 28307
194: ok 28308
194: ok 28309
194: ok 28310
194: ok 28311
194: ok 28312
194: ok 28313
194: ok 28314
194: ok 28315
194: ok 28316
194: ok 28317
194: ok 28318
194: ok 28319
194: ok 28320
194: ok 28321
194: ok 28322
194: ok 28323
194: ok 28324
194: ok 28325
194: ok 28326
194: ok 28327
194: ok 28328
194: ok 28329
194: ok 28330
194: ok 28331
194: ok 28332
194: ok 28333
194: ok 28334
194: ok 28335
194: ok 28336
194: ok 28337
194: ok 28338
194: ok 28339
194: ok 28340
194: ok 28341
194: ok 28342
194: ok 28343
194: ok 28344
194: ok 28345
194: ok 28346
194: ok 28347
194: ok 28348
194: ok 28349
194: ok 28350
194: ok 28351
194: ok 28352
194: ok 28353
194: ok 28354
194: ok 28355
194: ok 28356
194: ok 28357
194: ok 28358
194: ok 28359
194: ok 28360
194: ok 28361
194: ok 28362
194: ok 28363
194: ok 28364
194: ok 28365
194: ok 28366
194: ok 28367
194: ok 28368
194: ok 28369
194: ok 28370
194: ok 28371
194: ok 28372
194: ok 28373
194: ok 28374
194: ok 28375
194: ok 28376
194: ok 28377
194: ok 28378
194: ok 28379
194: ok 28380
194: ok 28381
194: ok 28382
194: ok 28383
194: ok 28384
194: ok 28385
194: ok 28386
194: ok 28387
194: ok 28388
194: ok 28389
194: ok 28390
194: ok 28391
194: ok 28392
194: ok 28393
194: ok 28394
194: ok 28395
194: ok 28396
194: ok 28397
194: ok 28398
194: ok 28399
194: ok 28400
194: ok 28401
194: ok 28402
194: ok 28403
194: ok 28404
194: ok 28405
194: ok 28406
194: ok 28407
194: ok 28408
194: ok 28409
194: ok 28410
194: ok 28411
194: ok 28412
194: ok 28413
194: ok 28414
194: ok 28415
194: ok 28416
194: ok 28417
194: ok 28418
194: ok 28419
194: ok 28420
194: ok 28421
194: ok 28422
194: ok 28423
194: ok 28424
194: ok 28425
194: ok 28426
194: ok 28427
194: ok 28428
194: ok 28429
194: ok 28430
194: ok 28431
194: ok 28432
194: ok 28433
194: ok 28434
194: ok 28435
194: ok 28436
194: ok 28437
194: ok 28438
194: ok 28439
194: ok 28440
194: ok 28441
194: ok 28442
194: ok 28443
194: ok 28444
194: ok 28445
194: ok 28446
194: ok 28447
194: ok 28448
194: ok 28449
194: ok 28450
194: ok 28451
194: ok 28452
194: ok 28453
194: ok 28454
194: ok 28455
194: ok 28456
194: ok 28457
194: ok 28458
194: ok 28459
194: ok 28460
194: ok 28461
194: ok 28462
194: ok 28463
194: ok 28464
194: ok 28465
194: ok 28466
194: ok 28467
194: ok 28468
194: ok 28469
194: ok 28470
194: ok 28471
194: ok 28472
194: ok 28473
194: ok 28474
194: ok 28475
194: ok 28476
194: ok 28477
194: ok 28478
194: ok 28479
194: ok 28480
194: ok 28481
194: ok 28482
194: ok 28483
194: ok 28484
194: ok 28485
194: ok 28486
194: ok 28487
194: ok 28488
194: ok 28489
194: ok 28490
194: ok 28491
194: ok 28492
194: ok 28493
194: ok 28494
194: ok 28495
194: ok 28496
194: ok 28497
194: ok 28498
194: ok 28499
194: ok 28500
194: ok 28501
194: ok 28502
194: ok 28503
194: ok 28504
194: ok 28505
194: ok 28506
194: ok 28507
194: ok 28508
194: ok 28509
194: ok 28510
194: ok 28511
194: ok 28512
194: ok 28513
194: ok 28514
194: ok 28515
194: ok 28516
194: ok 28517
194: ok 28518
194: ok 28519
194: ok 28520
194: ok 28521
194: ok 28522
194: ok 28523
194: ok 28524
194: ok 28525
194: ok 28526
194: ok 28527
194: ok 28528
194: ok 28529
194: ok 28530
194: ok 28531
194: ok 28532
194: ok 28533
194: ok 28534
194: ok 28535
194: ok 28536
194: ok 28537
194: ok 28538
194: ok 28539
194: ok 28540
194: ok 28541
194: ok 28542
194: ok 28543
194: ok 28544
194: ok 28545
194: ok 28546
194: ok 28547
194: ok 28548
194: ok 28549
194: ok 28550
194: ok 28551
194: ok 28552
194: ok 28553
194: ok 28554
194: ok 28555
194: ok 28556
194: ok 28557
194: ok 28558
194: ok 28559
194: ok 28560
194: ok 28561
194: ok 28562
194: ok 28563
194: ok 28564
194: ok 28565
194: ok 28566
194: ok 28567
194: ok 28568
194: ok 28569
194: ok 28570
194: ok 28571
194: ok 28572
194: ok 28573
194: ok 28574
194: ok 28575
194: ok 28576
194: ok 28577
194: ok 28578
194: ok 28579
194: ok 28580
194: ok 28581
194: ok 28582
194: ok 28583
194: ok 28584
194: ok 28585
194: ok 28586
194: ok 28587
194: ok 28588
194: ok 28589
194: ok 28590
194: ok 28591
194: ok 28592
194: ok 28593
194: ok 28594
194: ok 28595
194: ok 28596
194: ok 28597
194: ok 28598
194: ok 28599
194: ok 28600
194: ok 28601
194: ok 28602
194: ok 28603
194: ok 28604
194: ok 28605
194: ok 28606
194: ok 28607
194: ok 28608
194: ok 28609
194: ok 28610
194: ok 28611
194: ok 28612
194: ok 28613
194: ok 28614
194: ok 28615
194: ok 28616
194: ok 28617
194: ok 28618
194: ok 28619
194: ok 28620
194: ok 28621
194: ok 28622
194: ok 28623
194: ok 28624
194: ok 28625
194: ok 28626
194: ok 28627
194: ok 28628
194: ok 28629
194: ok 28630
194: ok 28631
194: ok 28632
194: ok 28633
194: ok 28634
194: ok 28635
194: ok 28636
194: ok 28637
194: ok 28638
194: ok 28639
194: ok 28640
194: ok 28641
194: ok 28642
194: ok 28643
194: ok 28644
194: ok 28645
194: ok 28646
194: ok 28647
194: ok 28648
194: ok 28649
194: ok 28650
194: ok 28651
194: ok 28652
194: ok 28653
194: ok 28654
194: ok 28655
194: ok 28656
194: ok 28657
194: ok 28658
194: ok 28659
194: ok 28660
194: ok 28661
194: ok 28662
194: ok 28663
194: ok 28664
194: ok 28665
194: ok 28666
194: ok 28667
194: ok 28668
194: ok 28669
194: ok 28670
194: ok 28671
194: ok 28672
194: ok 28673
194: ok 28674
194: ok 28675
194: ok 28676
194: ok 28677
194: ok 28678
194: ok 28679
194: ok 28680
194: ok 28681
194: ok 28682
194: ok 28683
194: ok 28684
194: ok 28685
194: ok 28686
194: ok 28687
194: ok 28688
194: ok 28689
194: ok 28690
194: ok 28691
194: ok 28692
194: ok 28693
194: ok 28694
194: ok 28695
194: ok 28696
194: ok 28697
194: ok 28698
194: ok 28699
194: ok 28700
194: ok 28701
194: ok 28702
194: ok 28703
194: ok 28704
194: ok 28705
194: ok 28706
194: ok 28707
194: ok 28708
194: ok 28709
194: ok 28710
194: ok 28711
194: ok 28712
194: ok 28713
194: ok 28714
194: ok 28715
194: ok 28716
194: ok 28717
194: ok 28718
194: ok 28719
194: ok 28720
194: ok 28721
194: ok 28722
194: ok 28723
194: ok 28724
194: ok 28725
194: ok 28726
194: ok 28727
194: ok 28728
194: ok 28729
194: ok 28730
194: ok 28731
194: ok 28732
194: ok 28733
194: ok 28734
194: ok 28735
194: ok 28736
194: ok 28737
194: ok 28738
194: ok 28739
194: ok 28740
194: ok 28741
194: ok 28742
194: ok 28743
194: ok 28744
194: ok 28745
194: ok 28746
194: ok 28747
194: ok 28748
194: ok 28749
194: ok 28750
194: ok 28751
194: ok 28752
194: ok 28753
194: ok 28754
194: ok 28755
194: ok 28756
194: ok 28757
194: ok 28758
194: ok 28759
194: ok 28760
194: ok 28761
194: ok 28762
194: ok 28763
194: ok 28764
194: ok 28765
194: ok 28766
194: ok 28767
194: ok 28768
194: ok 28769
194: ok 28770
194: ok 28771
194: ok 28772
194: ok 28773
194: ok 28774
194: ok 28775
194: ok 28776
194: ok 28777
194: ok 28778
194: ok 28779
194: ok 28780
194: ok 28781
194: ok 28782
194: ok 28783
194: ok 28784
194: ok 28785
194: ok 28786
194: ok 28787
194: ok 28788
194: ok 28789
194: ok 28790
194: ok 28791
194: ok 28792
194: ok 28793
194: ok 28794
194: ok 28795
194: ok 28796
194: ok 28797
194: ok 28798
194: ok 28799
194: ok 28800
194: ok 28801
194: ok 28802
194: ok 28803
194: ok 28804
194: ok 28805
194: ok 28806
194: ok 28807
194: ok 28808
194: ok 28809
194: ok 28810
194: ok 28811
194: ok 28812
194: ok 28813
194: ok 28814
194: ok 28815
194: ok 28816
194: ok 28817
194: ok 28818
194: ok 28819
194: ok 28820
194: ok 28821
194: ok 28822
194: ok 28823
194: ok 28824
194: ok 28825
194: ok 28826
194: ok 28827
194: ok 28828
194: ok 28829
194: ok 28830
194: ok 28831
194: ok 28832
194: ok 28833
194: ok 28834
194: ok 28835
194: ok 28836
194: ok 28837
194: ok 28838
194: ok 28839
194: ok 28840
194: ok 28841
194: ok 28842
194: ok 28843
194: ok 28844
194: ok 28845
194: ok 28846
194: ok 28847
194: ok 28848
194: ok 28849
194: ok 28850
194: ok 28851
194: ok 28852
194: ok 28853
194: ok 28854
194: ok 28855
194: ok 28856
194: ok 28857
194: ok 28858
194: ok 28859
194: ok 28860
194: ok 28861
194: ok 28862
194: ok 28863
194: ok 28864
194: ok 28865
194: ok 28866
194: ok 28867
194: ok 28868
194: ok 28869
194: ok 28870
194: ok 28871
194: ok 28872
194: ok 28873
194: ok 28874
194: ok 28875
194: ok 28876
194: ok 28877
194: ok 28878
194: ok 28879
194: ok 28880
194: ok 28881
194: ok 28882
194: ok 28883
194: ok 28884
194: ok 28885
194: ok 28886
194: ok 28887
194: ok 28888
194: ok 28889
194: ok 28890
194: ok 28891
194: ok 28892
194: ok 28893
194: ok 28894
194: ok 28895
194: ok 28896
194: ok 28897
194: ok 28898
194: ok 28899
194: ok 28900
194: ok 28901
194: ok 28902
194: ok 28903
194: ok 28904
194: ok 28905
194: ok 28906
194: ok 28907
194: ok 28908
194: ok 28909
194: ok 28910
194: ok 28911
194: ok 28912
194: ok 28913
194: ok 28914
194: ok 28915
194: ok 28916
194: ok 28917
194: ok 28918
194: ok 28919
194: ok 28920
194: ok 28921
194: ok 28922
194: ok 28923
194: ok 28924
194: ok 28925
194: ok 28926
194: ok 28927
194: ok 28928
194: ok 28929
194: ok 28930
194: ok 28931
194: ok 28932
194: ok 28933
194: ok 28934
194: ok 28935
194: ok 28936
194: ok 28937
194: ok 28938
194: ok 28939
194: ok 28940
194: ok 28941
194: ok 28942
194: ok 28943
194: ok 28944
194: ok 28945
194: ok 28946
194: ok 28947
194: ok 28948
194: ok 28949
194: ok 28950
194: ok 28951
194: ok 28952
194: ok 28953
194: ok 28954
194: ok 28955
194: ok 28956
194: ok 28957
194: ok 28958
194: ok 28959
194: ok 28960
194: ok 28961
194: ok 28962
194: ok 28963
194: ok 28964
194: ok 28965
194: ok 28966
194: ok 28967
194: ok 28968
194: ok 28969
194: ok 28970
194: ok 28971
194: ok 28972
194: ok 28973
194: ok 28974
194: ok 28975
194: ok 28976
194: ok 28977
194: ok 28978
194: ok 28979
194: ok 28980
194: ok 28981
194: ok 28982
194: ok 28983
194: ok 28984
194: ok 28985
194: ok 28986
194: ok 28987
194: ok 28988
194: ok 28989
194: ok 28990
194: ok 28991
194: ok 28992
194: ok 28993
194: ok 28994
194: ok 28995
194: ok 28996
194: ok 28997
194: ok 28998
194: ok 28999
194: ok 29000
194: ok 29001
194: ok 29002
194: ok 29003
194: ok 29004
194: ok 29005
194: ok 29006
194: ok 29007
194: ok 29008
194: ok 29009
194: ok 29010
194: ok 29011
194: ok 29012
194: ok 29013
194: ok 29014
194: ok 29015
194: ok 29016
194: ok 29017
194: ok 29018
194: ok 29019
194: ok 29020
194: ok 29021
194: ok 29022
194: ok 29023
194: ok 29024
194: ok 29025
194: ok 29026
194: ok 29027
194: ok 29028
194: ok 29029
194: ok 29030
194: ok 29031
194: ok 29032
194: ok 29033
194: ok 29034
194: ok 29035
194: ok 29036
194: ok 29037
194: ok 29038
194: ok 29039
194: ok 29040
194: ok 29041
194: ok 29042
194: ok 29043
194: ok 29044
194: ok 29045
194: ok 29046
194: ok 29047
194: ok 29048
194: ok 29049
194: ok 29050
194: ok 29051
194: ok 29052
194: ok 29053
194: ok 29054
194: ok 29055
194: ok 29056
194: ok 29057
194: ok 29058
194: ok 29059
194: ok 29060
194: ok 29061
194: ok 29062
194: ok 29063
194: ok 29064
194: ok 29065
194: ok 29066
194: ok 29067
194: ok 29068
194: ok 29069
194: ok 29070
194: ok 29071
194: ok 29072
194: ok 29073
194: ok 29074
194: ok 29075
194: ok 29076
194: ok 29077
194: ok 29078
194: ok 29079
194: ok 29080
194: ok 29081
194: ok 29082
194: ok 29083
194: ok 29084
194: ok 29085
194: ok 29086
194: ok 29087
194: ok 29088
194: ok 29089
194: ok 29090
194: ok 29091
194: ok 29092
194: ok 29093
194: ok 29094
194: ok 29095
194: ok 29096
194: ok 29097
194: ok 29098
194: ok 29099
194: ok 29100
194: ok 29101
194: ok 29102
194: ok 29103
194: ok 29104
194: ok 29105
194: ok 29106
194: ok 29107
194: ok 29108
194: ok 29109
194: ok 29110
194: ok 29111
194: ok 29112
194: ok 29113
194: ok 29114
194: ok 29115
194: ok 29116
194: ok 29117
194: ok 29118
194: ok 29119
194: ok 29120
194: ok 29121
194: ok 29122
194: ok 29123
194: ok 29124
194: ok 29125
194: ok 29126
194: ok 29127
194: ok 29128
194: ok 29129
194: ok 29130
194: ok 29131
194: ok 29132
194: ok 29133
194: ok 29134
194: ok 29135
194: ok 29136
194: ok 29137
194: ok 29138
194: ok 29139
194: ok 29140
194: ok 29141
194: ok 29142
194: ok 29143
194: ok 29144
194: ok 29145
194: ok 29146
194: ok 29147
194: ok 29148
194: ok 29149
194: ok 29150
194: ok 29151
194: ok 29152
194: ok 29153
194: ok 29154
194: ok 29155
194: ok 29156
194: ok 29157
194: ok 29158
194: ok 29159
194: ok 29160
194: ok 29161
194: ok 29162
194: ok 29163
194: ok 29164
194: ok 29165
194: ok 29166
194: ok 29167
194: ok 29168
194: ok 29169
194: ok 29170
194: ok 29171
194: ok 29172
194: ok 29173
194: ok 29174
194: ok 29175
194: ok 29176
194: ok 29177
194: ok 29178
194: ok 29179
194: ok 29180
194: ok 29181
194: ok 29182
194: ok 29183
194: ok 29184
194: ok 29185
194: ok 29186
194: ok 29187
194: ok 29188
194: ok 29189
194: ok 29190
194: ok 29191
194: ok 29192
194: ok 29193
194: ok 29194
194: ok 29195
194: ok 29196
194: ok 29197
194: ok 29198
194: ok 29199
194: ok 29200
194: ok 29201
194: ok 29202
194: ok 29203
194: ok 29204
194: ok 29205
194: ok 29206
194: ok 29207
194: ok 29208
194: ok 29209
194: ok 29210
194: ok 29211
194: ok 29212
194: ok 29213
194: ok 29214
194: ok 29215
194: ok 29216
194: ok 29217
194: ok 29218
194: ok 29219
194: ok 29220
194: ok 29221
194: ok 29222
194: ok 29223
194: ok 29224
194: ok 29225
194: ok 29226
194: ok 29227
194: ok 29228
194: ok 29229
194: ok 29230
194: ok 29231
194: ok 29232
194: ok 29233
194: ok 29234
194: ok 29235
194: ok 29236
194: ok 29237
194: ok 29238
194: ok 29239
194: ok 29240
194: ok 29241
194: ok 29242
194: ok 29243
194: ok 29244
194: ok 29245
194: ok 29246
194: ok 29247
194: ok 29248
194: ok 29249
194: ok 29250
194: ok 29251
194: ok 29252
194: ok 29253
194: ok 29254
194: ok 29255
194: ok 29256
194: ok 29257
194: ok 29258
194: ok 29259
194: ok 29260
194: ok 29261
194: ok 29262
194: ok 29263
194: ok 29264
194: ok 29265
194: ok 29266
194: ok 29267
194: ok 29268
194: ok 29269
194: ok 29270
194: ok 29271
194: ok 29272
194: ok 29273
194: ok 29274
194: ok 29275
194: ok 29276
194: ok 29277
194: ok 29278
194: ok 29279
194: ok 29280
194: ok 29281
194: ok 29282
194: ok 29283
194: ok 29284
194: ok 29285
194: ok 29286
194: ok 29287
194: ok 29288
194: ok 29289
194: ok 29290
194: ok 29291
194: ok 29292
194: ok 29293
194: ok 29294
194: ok 29295
194: ok 29296
194: ok 29297
194: ok 29298
194: ok 29299
194: ok 29300
194: ok 29301
194: ok 29302
194: ok 29303
194: ok 29304
194: ok 29305
194: ok 29306
194: ok 29307
194: ok 29308
194: ok 29309
194: ok 29310
194: ok 29311
194: ok 29312
194: ok 29313
194: ok 29314
194: ok 29315
194: ok 29316
194: ok 29317
194: ok 29318
194: ok 29319
194: ok 29320
194: ok 29321
194: ok 29322
194: ok 29323
194: ok 29324
194: ok 29325
194: ok 29326
194: ok 29327
194: ok 29328
194: ok 29329
194: ok 29330
194: ok 29331
194: ok 29332
194: ok 29333
194: ok 29334
194: ok 29335
194: ok 29336
194: ok 29337
194: ok 29338
194: ok 29339
194: ok 29340
194: ok 29341
194: ok 29342
194: ok 29343
194: ok 29344
194: ok 29345
194: ok 29346
194: ok 29347
194: ok 29348
194: ok 29349
194: ok 29350
194: ok 29351
194: ok 29352
194: ok 29353
194: ok 29354
194: ok 29355
194: ok 29356
194: ok 29357
194: ok 29358
194: ok 29359
194: ok 29360
194: ok 29361
194: ok 29362
194: ok 29363
194: ok 29364
194: ok 29365
194: ok 29366
194: ok 29367
194: ok 29368
194: ok 29369
194: ok 29370
194: ok 29371
194: ok 29372
194: ok 29373
194: ok 29374
194: ok 29375
194: ok 29376
194: ok 29377
194: ok 29378
194: ok 29379
194: ok 29380
194: ok 29381
194: ok 29382
194: ok 29383
194: ok 29384
194: ok 29385
194: ok 29386
194: ok 29387
194: ok 29388
194: ok 29389
194: ok 29390
194: ok 29391
194: ok 29392
194: ok 29393
194: ok 29394
194: ok 29395
194: ok 29396
194: ok 29397
194: ok 29398
194: ok 29399
194: ok 29400
194: ok 29401
194: ok 29402
194: ok 29403
194: ok 29404
194: ok 29405
194: ok 29406
194: ok 29407
194: ok 29408
194: ok 29409
194: ok 29410
194: ok 29411
194: ok 29412
194: ok 29413
194: ok 29414
194: ok 29415
194: ok 29416
194: ok 29417
194: ok 29418
194: ok 29419
194: ok 29420
194: ok 29421
194: ok 29422
194: ok 29423
194: ok 29424
194: ok 29425
194: ok 29426
194: ok 29427
194: ok 29428
194: ok 29429
194: ok 29430
194: ok 29431
194: ok 29432
194: ok 29433
194: ok 29434
194: ok 29435
194: ok 29436
194: ok 29437
194: ok 29438
194: ok 29439
194: ok 29440
194: ok 29441
194: ok 29442
194: ok 29443
194: ok 29444
194: ok 29445
194: ok 29446
194: ok 29447
194: ok 29448
194: ok 29449
194: ok 29450
194: ok 29451
194: ok 29452
194: ok 29453
194: ok 29454
194: ok 29455
194: ok 29456
194: ok 29457
194: ok 29458
194: ok 29459
194: ok 29460
194: ok 29461
194: ok 29462
194: ok 29463
194: ok 29464
194: ok 29465
194: ok 29466
194: ok 29467
194: ok 29468
194: ok 29469
194: ok 29470
194: ok 29471
194: ok 29472
194: ok 29473
194: ok 29474
194: ok 29475
194: ok 29476
194: ok 29477
194: ok 29478
194: ok 29479
194: ok 29480
194: ok 29481
194: ok 29482
194: ok 29483
194: ok 29484
194: ok 29485
194: ok 29486
194: ok 29487
194: ok 29488
194: ok 29489
194: ok 29490
194: ok 29491
194: ok 29492
194: ok 29493
194: ok 29494
194: ok 29495
194: ok 29496
194: ok 29497
194: ok 29498
194: ok 29499
194: ok 29500
194: ok 29501
194: ok 29502
194: ok 29503
194: ok 29504
194: ok 29505
194: ok 29506
194: ok 29507
194: ok 29508
194: ok 29509
194: ok 29510
194: ok 29511
194: ok 29512
194: ok 29513
194: ok 29514
194: ok 29515
194: ok 29516
194: ok 29517
194: ok 29518
194: ok 29519
194: ok 29520
194: ok 29521
194: ok 29522
194: ok 29523
194: ok 29524
194: ok 29525
194: ok 29526
194: ok 29527
194: ok 29528
194: ok 29529
194: ok 29530
194: ok 29531
194: ok 29532
194: ok 29533
194: ok 29534
194: ok 29535
194: ok 29536
194: ok 29537
194: ok 29538
194: ok 29539
194: ok 29540
194: ok 29541
194: ok 29542
194: ok 29543
194: ok 29544
194: ok 29545
194: ok 29546
194: ok 29547
194: ok 29548
194: ok 29549
194: ok 29550
194: ok 29551
194: ok 29552
194: ok 29553
194: ok 29554
194: ok 29555
194: ok 29556
194: ok 29557
194: ok 29558
194: ok 29559
194: ok 29560
194: ok 29561
194: ok 29562
194: ok 29563
194: ok 29564
194: ok 29565
194: ok 29566
194: ok 29567
194: ok 29568
194: ok 29569
194: ok 29570
194: ok 29571
194: ok 29572
194: ok 29573
194: ok 29574
194: ok 29575
194: ok 29576
194: ok 29577
194: ok 29578
194: ok 29579
194: ok 29580
194: ok 29581
194: ok 29582
194: ok 29583
194: ok 29584
194: ok 29585
194: ok 29586
194: ok 29587
194: ok 29588
194: ok 29589
194: ok 29590
194: ok 29591
194: ok 29592
194: ok 29593
194: ok 29594
194: ok 29595
194: ok 29596
194: ok 29597
194: ok 29598
194: ok 29599
194: ok 29600
194: ok 29601
194: ok 29602
194: ok 29603
194: ok 29604
194: ok 29605
194: ok 29606
194: ok 29607
194: ok 29608
194: ok 29609
194: ok 29610
194: ok 29611
194: ok 29612
194: ok 29613
194: ok 29614
194: ok 29615
194: ok 29616
194: ok 29617
194: ok 29618
194: ok 29619
194: ok 29620
194: ok 29621
194: ok 29622
194: ok 29623
194: ok 29624
194: ok 29625
194: ok 29626
194: ok 29627
194: ok 29628
194: ok 29629
194: ok 29630
194: ok 29631
194: ok 29632
194: ok 29633
194: ok 29634
194: ok 29635
194: ok 29636
194: ok 29637
194: ok 29638
194: ok 29639
194: ok 29640
194: ok 29641
194: ok 29642
194: ok 29643
194: ok 29644
194: ok 29645
194: ok 29646
194: ok 29647
194: ok 29648
194: ok 29649
194: ok 29650
194: ok 29651
194: ok 29652
194: ok 29653
194: ok 29654
194: ok 29655
194: ok 29656
194: ok 29657
194: ok 29658
194: ok 29659
194: ok 29660
194: ok 29661
194: ok 29662
194: ok 29663
194: ok 29664
194: ok 29665
194: ok 29666
194: ok 29667
194: ok 29668
194: ok 29669
194: ok 29670
194: ok 29671
194: ok 29672
194: ok 29673
194: ok 29674
194: ok 29675
194: ok 29676
194: ok 29677
194: ok 29678
194: ok 29679
194: ok 29680
194: ok 29681
194: ok 29682
194: ok 29683
194: ok 29684
194: ok 29685
194: ok 29686
194: ok 29687
194: ok 29688
194: ok 29689
194: ok 29690
194: ok 29691
194: ok 29692
194: ok 29693
194: ok 29694
194: ok 29695
194: ok 29696
194: ok 29697
194: ok 29698
194: ok 29699
194: ok 29700
194: ok 29701
194: ok 29702
194: ok 29703
194: ok 29704
194: ok 29705
194: ok 29706
194: ok 29707
194: ok 29708
194: ok 29709
194: ok 29710
194: ok 29711
194: ok 29712
194: ok 29713
194: ok 29714
194: ok 29715
194: ok 29716
194: ok 29717
194: ok 29718
194: ok 29719
194: ok 29720
194: ok 29721
194: ok 29722
194: ok 29723
194: ok 29724
194: ok 29725
194: ok 29726
194: ok 29727
194: ok 29728
194: ok 29729
194: ok 29730
194: ok 29731
194: ok 29732
194: ok 29733
194: ok 29734
194: ok 29735
194: ok 29736
194: ok 29737
194: ok 29738
194: ok 29739
194: ok 29740
194: ok 29741
194: ok 29742
194: ok 29743
194: ok 29744
194: ok 29745
194: ok 29746
194: ok 29747
194: ok 29748
194: ok 29749
194: ok 29750
194: ok 29751
194: ok 29752
194: ok 29753
194: ok 29754
194: ok 29755
194: ok 29756
194: ok 29757
194: ok 29758
194: ok 29759
194: ok 29760
194: ok 29761
194: ok 29762
194: ok 29763
194: ok 29764
194: ok 29765
194: ok 29766
194: ok 29767
194: ok 29768
194: ok 29769
194: ok 29770
194: ok 29771
194: ok 29772
194: ok 29773
194: ok 29774
194: ok 29775
194: ok 29776
194: ok 29777
194: ok 29778
194: ok 29779
194: ok 29780
194: ok 29781
194: ok 29782
194: ok 29783
194: ok 29784
194: ok 29785
194: ok 29786
194: ok 29787
194: ok 29788
194: ok 29789
194: ok 29790
194: ok 29791
194: ok 29792
194: ok 29793
194: ok 29794
194: ok 29795
194: ok 29796
194: ok 29797
194: ok 29798
194: ok 29799
194: ok 29800
194: ok 29801
194: ok 29802
194: ok 29803
194: ok 29804
194: ok 29805
194: ok 29806
194: ok 29807
194: ok 29808
194: ok 29809
194: ok 29810
194: ok 29811
194: ok 29812
194: ok 29813
194: ok 29814
194: ok 29815
194: ok 29816
194: ok 29817
194: ok 29818
194: ok 29819
194: ok 29820
194: ok 29821
194: ok 29822
194: ok 29823
194: ok 29824
194: ok 29825
194: ok 29826
194: ok 29827
194: ok 29828
194: ok 29829
194: ok 29830
194: ok 29831
194: ok 29832
194: ok 29833
194: ok 29834
194: ok 29835
194: ok 29836
194: ok 29837
194: ok 29838
194: ok 29839
194: ok 29840
194: ok 29841
194: ok 29842
194: ok 29843
194: ok 29844
194: ok 29845
194: ok 29846
194: ok 29847
194: ok 29848
194: ok 29849
194: ok 29850
194: ok 29851
194: ok 29852
194: ok 29853
194: ok 29854
194: ok 29855
194: ok 29856
194: ok 29857
194: ok 29858
194: ok 29859
194: ok 29860
194: ok 29861
194: ok 29862
194: ok 29863
194: ok 29864
194: ok 29865
194: ok 29866
194: ok 29867
194: ok 29868
194: ok 29869
194: ok 29870
194: ok 29871
194: ok 29872
194: ok 29873
194: ok 29874
194: ok 29875
194: ok 29876
194: ok 29877
194: ok 29878
194: ok 29879
194: ok 29880
194: ok 29881
194: ok 29882
194: ok 29883
194: ok 29884
194: ok 29885
194: ok 29886
194: ok 29887
194: ok 29888
194: ok 29889
194: ok 29890
194: ok 29891
194: ok 29892
194: ok 29893
194: ok 29894
194: ok 29895
194: ok 29896
194: ok 29897
194: ok 29898
194: ok 29899
194: ok 29900
194: ok 29901
194: ok 29902
194: ok 29903
194: ok 29904
194: ok 29905
194: ok 29906
194: ok 29907
194: ok 29908
194: ok 29909
194: ok 29910
194: ok 29911
194: ok 29912
194: ok 29913
194: ok 29914
194: ok 29915
194: ok 29916
194: ok 29917
194: ok 29918
194: ok 29919
194: ok 29920
194: ok 29921
194: ok 29922
194: ok 29923
194: ok 29924
194: ok 29925
194: ok 29926
194: ok 29927
194: ok 29928
194: ok 29929
194: ok 29930
194: ok 29931
194: ok 29932
194: ok 29933
194: ok 29934
194: ok 29935
194: ok 29936
194: ok 29937
194: ok 29938
194: ok 29939
194: ok 29940
194: ok 29941
194: ok 29942
194: ok 29943
194: ok 29944
194: ok 29945
194: ok 29946
194: ok 29947
194: ok 29948
194: ok 29949
194: ok 29950
194: ok 29951
194: ok 29952
194: ok 29953
194: ok 29954
194: ok 29955
194: ok 29956
194: ok 29957
194: ok 29958
194: ok 29959
194: ok 29960
194: ok 29961
194: ok 29962
194: ok 29963
194: ok 29964
194: ok 29965
194: ok 29966
194: ok 29967
194: ok 29968
194: ok 29969
194: ok 29970
194: ok 29971
194: ok 29972
194: ok 29973
194: ok 29974
194: ok 29975
194: ok 29976
194: ok 29977
194: ok 29978
194: ok 29979
194: ok 29980
194: ok 29981
194: ok 29982
194: ok 29983
194: ok 29984
194: ok 29985
194: ok 29986
194: ok 29987
194: ok 29988
194: ok 29989
194: ok 29990
194: ok 29991
194: ok 29992
194: ok 29993
194: ok 29994
194: ok 29995
194: ok 29996
194: ok 29997
194: ok 29998
194: ok 29999
194: ok 30000
194: ok 30001
194: ok 30002
194: ok 30003
194: ok 30004
194: ok 30005
194: ok 30006
194: ok 30007
194: ok 30008
194: ok 30009
194: ok 30010
194: ok 30011
194: ok 30012
194: ok 30013
194: ok 30014
194: ok 30015
194: ok 30016
194: ok 30017
194: ok 30018
194: ok 30019
194: ok 30020
194: ok 30021
194: ok 30022
194: ok 30023
194: ok 30024
194: ok 30025
194: ok 30026
194: ok 30027
194: ok 30028
194: ok 30029
194: ok 30030
194: ok 30031
194: ok 30032
194: ok 30033
194: ok 30034
194: ok 30035
194: ok 30036
194: ok 30037
194: ok 30038
194: ok 30039
194: ok 30040
194: ok 30041
194: ok 30042
194: ok 30043
194: ok 30044
194: ok 30045
194: ok 30046
194: ok 30047
194: ok 30048
194: ok 30049
194: ok 30050
194: ok 30051
194: ok 30052
194: ok 30053
194: ok 30054
194: ok 30055
194: ok 30056
194: ok 30057
194: ok 30058
194: ok 30059
194: ok 30060
194: ok 30061
194: ok 30062
194: ok 30063
194: ok 30064
194: ok 30065
194: ok 30066
194: ok 30067
194: ok 30068
194: ok 30069
194: ok 30070
194: ok 30071
194: ok 30072
194: ok 30073
194: ok 30074
194: ok 30075
194: ok 30076
194: ok 30077
194: ok 30078
194: ok 30079
194: ok 30080
194: ok 30081
194: ok 30082
194: ok 30083
194: ok 30084
194: ok 30085
194: ok 30086
194: ok 30087
194: ok 30088
194: ok 30089
194: ok 30090
194: ok 30091
194: ok 30092
194: ok 30093
194: ok 30094
194: ok 30095
194: ok 30096
194: ok 30097
194: ok 30098
194: ok 30099
194: ok 30100
194: ok 30101
194: ok 30102
194: ok 30103
194: ok 30104
194: ok 30105
194: ok 30106
194: ok 30107
194: ok 30108
194: ok 30109
194: ok 30110
194: ok 30111
194: ok 30112
194: ok 30113
194: ok 30114
194: ok 30115
194: ok 30116
194: ok 30117
194: ok 30118
194: ok 30119
194: ok 30120
194: ok 30121
194: ok 30122
194: ok 30123
194: ok 30124
194: ok 30125
194: ok 30126
194: ok 30127
194: ok 30128
194: ok 30129
194: ok 30130
194: ok 30131
194: ok 30132
194: ok 30133
194: ok 30134
194: ok 30135
194: ok 30136
194: ok 30137
194: ok 30138
194: ok 30139
194: ok 30140
194: ok 30141
194: ok 30142
194: ok 30143
194: ok 30144
194: ok 30145
194: ok 30146
194: ok 30147
194: ok 30148
194: ok 30149
194: ok 30150
194: ok 30151
194: ok 30152
194: ok 30153
194: ok 30154
194: ok 30155
194: ok 30156
194: ok 30157
194: ok 30158
194: ok 30159
194: ok 30160
194: ok 30161
194: ok 30162
194: ok 30163
194: ok 30164
194: ok 30165
194: ok 30166
194: ok 30167
194: ok 30168
194: ok 30169
194: ok 30170
194: ok 30171
194: ok 30172
194: ok 30173
194: ok 30174
194: ok 30175
194: ok 30176
194: ok 30177
194: ok 30178
194: ok 30179
194: ok 30180
194: ok 30181
194: ok 30182
194: ok 30183
194: ok 30184
194: ok 30185
194: ok 30186
194: ok 30187
194: ok 30188
194: ok 30189
194: ok 30190
194: ok 30191
194: ok 30192
194: ok 30193
194: ok 30194
194: ok 30195
194: ok 30196
194: ok 30197
194: ok 30198
194: ok 30199
194: ok 30200
194: ok 30201
194: ok 30202
194: ok 30203
194: ok 30204
194: ok 30205
194: ok 30206
194: ok 30207
194: ok 30208
194: ok 30209
194: ok 30210
194: ok 30211
194: ok 30212
194: ok 30213
194: ok 30214
194: ok 30215
194: ok 30216
194: ok 30217
194: ok 30218
194: ok 30219
194: ok 30220
194: ok 30221
194: ok 30222
194: ok 30223
194: ok 30224
194: ok 30225
194: ok 30226
194: ok 30227
194: ok 30228
194: ok 30229
194: ok 30230
194: ok 30231
194: ok 30232
194: ok 30233
194: ok 30234
194: ok 30235
194: ok 30236
194: ok 30237
194: ok 30238
194: ok 30239
194: ok 30240
194: ok 30241
194: ok 30242
194: ok 30243
194: ok 30244
194: ok 30245
194: ok 30246
194: ok 30247
194: ok 30248
194: ok 30249
194: ok 30250
194: ok 30251
194: ok 30252
194: ok 30253
194: ok 30254
194: ok 30255
194: ok 30256
194: ok 30257
194: ok 30258
194: ok 30259
194: ok 30260
194: ok 30261
194: ok 30262
194: ok 30263
194: ok 30264
194: ok 30265
194: ok 30266
194: ok 30267
194: ok 30268
194: ok 30269
194: ok 30270
194: ok 30271
194: ok 30272
194: ok 30273
194: ok 30274
194: ok 30275
194: ok 30276
194: ok 30277
194: ok 30278
194: ok 30279
194: ok 30280
194: ok 30281
194: ok 30282
194: ok 30283
194: ok 30284
194: ok 30285
194: ok 30286
194: ok 30287
194: ok 30288
194: ok 30289
194: ok 30290
194: ok 30291
194: ok 30292
194: ok 30293
194: ok 30294
194: ok 30295
194: ok 30296
194: ok 30297
194: ok 30298
194: ok 30299
194: ok 30300
194: ok 30301
194: ok 30302
194: ok 30303
194: ok 30304
194: ok 30305
194: ok 30306
194: ok 30307
194: ok 30308
194: ok 30309
194: ok 30310
194: ok 30311
194: ok 30312
194: ok 30313
194: ok 30314
194: ok 30315
194: ok 30316
194: ok 30317
194: ok 30318
194: ok 30319
194: ok 30320
194: ok 30321
194: ok 30322
194: ok 30323
194: ok 30324
194: ok 30325
194: ok 30326
194: ok 30327
194: ok 30328
194: ok 30329
194: ok 30330
194: ok 30331
194: ok 30332
194: ok 30333
194: ok 30334
194: ok 30335
194: ok 30336
194: ok 30337
194: ok 30338
194: ok 30339
194: ok 30340
194: ok 30341
194: ok 30342
194: ok 30343
194: ok 30344
194: ok 30345
194: ok 30346
194: ok 30347
194: ok 30348
194: ok 30349
194: ok 30350
194: ok 30351
194: ok 30352
194: ok 30353
194: ok 30354
194: ok 30355
194: ok 30356
194: ok 30357
194: ok 30358
194: ok 30359
194: ok 30360
194: ok 30361
194: ok 30362
194: ok 30363
194: ok 30364
194: ok 30365
194: ok 30366
194: ok 30367
194: ok 30368
194: ok 30369
194: ok 30370
194: ok 30371
194: ok 30372
194: ok 30373
194: ok 30374
194: ok 30375
194: ok 30376
194: ok 30377
194: ok 30378
194: ok 30379
194: ok 30380
194: ok 30381
194: ok 30382
194: ok 30383
194: ok 30384
194: ok 30385
194: ok 30386
194: ok 30387
194: ok 30388
194: ok 30389
194: ok 30390
194: ok 30391
194: ok 30392
194: ok 30393
194: ok 30394
194: ok 30395
194: ok 30396
194: ok 30397
194: ok 30398
194: ok 30399
194: ok 30400
194: ok 30401
194: ok 30402
194: ok 30403
194: ok 30404
194: ok 30405
194: ok 30406
194: ok 30407
194: ok 30408
194: ok 30409
194: ok 30410
194: ok 30411
194: ok 30412
194: ok 30413
194: ok 30414
194: ok 30415
194: ok 30416
194: ok 30417
194: ok 30418
194: ok 30419
194: ok 30420
194: ok 30421
194: ok 30422
194: ok 30423
194: ok 30424
194: ok 30425
194: ok 30426
194: ok 30427
194: ok 30428
194: ok 30429
194: ok 30430
194: ok 30431
194: ok 30432
194: ok 30433
194: ok 30434
194: ok 30435
194: ok 30436
194: ok 30437
194: ok 30438
194: ok 30439
194: ok 30440
194: ok 30441
194: ok 30442
194: ok 30443
194: ok 30444
194: ok 30445
194: ok 30446
194: ok 30447
194: ok 30448
194: ok 30449
194: ok 30450
194: ok 30451
194: ok 30452
194: ok 30453
194: ok 30454
194: ok 30455
194: ok 30456
194: ok 30457
194: ok 30458
194: ok 30459
194: ok 30460
194: ok 30461
194: ok 30462
194: ok 30463
194: ok 30464
194: ok 30465
194: ok 30466
194: ok 30467
194: ok 30468
194: ok 30469
194: ok 30470
194: ok 30471
194: ok 30472
194: ok 30473
194: ok 30474
194: ok 30475
194: ok 30476
194: ok 30477
194: ok 30478
194: ok 30479
194: ok 30480
194: ok 30481
194: ok 30482
194: ok 30483
194: ok 30484
194: ok 30485
194: ok 30486
194: ok 30487
194: ok 30488
194: ok 30489
194: ok 30490
194: ok 30491
194: ok 30492
194: ok 30493
194: ok 30494
194: ok 30495
194: ok 30496
194: ok 30497
194: ok 30498
194: ok 30499
194: ok 30500
194: ok 30501
194: ok 30502
194: ok 30503
194: ok 30504
194: ok 30505
194: ok 30506
194: ok 30507
194: ok 30508
194: ok 30509
194: ok 30510
194: ok 30511
194: ok 30512
194: ok 30513
194: ok 30514
194: ok 30515
194: ok 30516
194: ok 30517
194: ok 30518
194: ok 30519
194: ok 30520
194: ok 30521
194: ok 30522
194: ok 30523
194: ok 30524
194: ok 30525
194: ok 30526
194: ok 30527
194: ok 30528
194: ok 30529
194: ok 30530
194: ok 30531
194: ok 30532
194: ok 30533
194: ok 30534
194: ok 30535
194: ok 30536
194: ok 30537
194: ok 30538
194: ok 30539
194: ok 30540
194: ok 30541
194: ok 30542
194: ok 30543
194: ok 30544
194: ok 30545
194: ok 30546
194: ok 30547
194: ok 30548
194: ok 30549
194: ok 30550
194: ok 30551
194: ok 30552
194: ok 30553
194: ok 30554
194: ok 30555
194: ok 30556
194: ok 30557
194: ok 30558
194: ok 30559
194: ok 30560
194: ok 30561
194: ok 30562
194: ok 30563
194: ok 30564
194: ok 30565
194: ok 30566
194: ok 30567
194: ok 30568
194: ok 30569
194: ok 30570
194: ok 30571
194: ok 30572
194: ok 30573
194: ok 30574
194: ok 30575
194: ok 30576
194: ok 30577
194: ok 30578
194: ok 30579
194: ok 30580
194: ok 30581
194: ok 30582
194: ok 30583
194: ok 30584
194: ok 30585
194: ok 30586
194: ok 30587
194: ok 30588
194: ok 30589
194: ok 30590
194: ok 30591
194: ok 30592
194: ok 30593
194: ok 30594
194: ok 30595
194: ok 30596
194: ok 30597
194: ok 30598
194: ok 30599
194: ok 30600
194: ok 30601
194: ok 30602
194: ok 30603
194: ok 30604
194: ok 30605
194: ok 30606
194: ok 30607
194: ok 30608
194: ok 30609
194: ok 30610
194: ok 30611
194: ok 30612
194: ok 30613
194: ok 30614
194: ok 30615
194: ok 30616
194: ok 30617
194: ok 30618
194: ok 30619
194: ok 30620
194: ok 30621
194: ok 30622
194: ok 30623
194: ok 30624
194: ok 30625
194: ok 30626
194: ok 30627
194: ok 30628
194: ok 30629
194: ok 30630
194: ok 30631
194: ok 30632
194: ok 30633
194: ok 30634
194: ok 30635
194: ok 30636
194: ok 30637
194: ok 30638
194: ok 30639
194: ok 30640
194: ok 30641
194: ok 30642
194: ok 30643
194: ok 30644
194: ok 30645
194: ok 30646
194: ok 30647
194: ok 30648
194: ok 30649
194: ok 30650
194: ok 30651
194: ok 30652
194: ok 30653
194: ok 30654
194: ok 30655
194: ok 30656
194: ok 30657
194: ok 30658
194: ok 30659
194: ok 30660
194: ok 30661
194: ok 30662
194: ok 30663
194: ok 30664
194: ok 30665
194: ok 30666
194: ok 30667
194: ok 30668
194: ok 30669
194: ok 30670
194: ok 30671
194: ok 30672
194: ok 30673
194: ok 30674
194: ok 30675
194: ok 30676
194: ok 30677
194: ok 30678
194: ok 30679
194: ok 30680
194: ok 30681
194: ok 30682
194: ok 30683
194: ok 30684
194: ok 30685
194: ok 30686
194: ok 30687
194: ok 30688
194: ok 30689
194: ok 30690
194: ok 30691
194: ok 30692
194: ok 30693
194: ok 30694
194: ok 30695
194: ok 30696
194: ok 30697
194: ok 30698
194: ok 30699
194: ok 30700
194: ok 30701
194: ok 30702
194: ok 30703
194: ok 30704
194: ok 30705
194: ok 30706
194: ok 30707
194: ok 30708
194: ok 30709
194: ok 30710
194: ok 30711
194: ok 30712
194: ok 30713
194: ok 30714
194: ok 30715
194: ok 30716
194: ok 30717
194: ok 30718
194: ok 30719
194: ok 30720
194: ok 30721
194: ok 30722
194: ok 30723
194: ok 30724
194: ok 30725
194: ok 30726
194: ok 30727
194: ok 30728
194: ok 30729
194: ok 30730
194: ok 30731
194: ok 30732
194: ok 30733
194: ok 30734
194: ok 30735
194: ok 30736
194: ok 30737
194: ok 30738
194: ok 30739
194: ok 30740
194: ok 30741
194: ok 30742
194: ok 30743
194: ok 30744
194: ok 30745
194: ok 30746
194: ok 30747
194: ok 30748
194: ok 30749
194: ok 30750
194: ok 30751
194: ok 30752
194: ok 30753
194: ok 30754
194: ok 30755
194: ok 30756
194: ok 30757
194: ok 30758
194: ok 30759
194: ok 30760
194: ok 30761
194: ok 30762
194: ok 30763
194: ok 30764
194: ok 30765
194: ok 30766
194: ok 30767
194: ok 30768
194: ok 30769
194: ok 30770
194: ok 30771
194: ok 30772
194: ok 30773
194: ok 30774
194: ok 30775
194: ok 30776
194: ok 30777
194: ok 30778
194: ok 30779
194: ok 30780
194: ok 30781
194: ok 30782
194: ok 30783
194: ok 30784
194: ok 30785
194: ok 30786
194: ok 30787
194: ok 30788
194: ok 30789
194: ok 30790
194: ok 30791
194: ok 30792
194: ok 30793
194: ok 30794
194: ok 30795
194: ok 30796
194: ok 30797
194: ok 30798
194: ok 30799
194: ok 30800
194: ok 30801
194: ok 30802
194: ok 30803
194: ok 30804
194: ok 30805
194: ok 30806
194: ok 30807
194: ok 30808
194: ok 30809
194: ok 30810
194: ok 30811
194: ok 30812
194: ok 30813
194: ok 30814
194: ok 30815
194: ok 30816
194: ok 30817
194: ok 30818
194: ok 30819
194: ok 30820
194: ok 30821
194: ok 30822
194: ok 30823
194: ok 30824
194: ok 30825
194: ok 30826
194: ok 30827
194: ok 30828
194: ok 30829
194: ok 30830
194: ok 30831
194: ok 30832
194: ok 30833
194: ok 30834
194: ok 30835
194: ok 30836
194: ok 30837
194: ok 30838
194: ok 30839
194: ok 30840
194: ok 30841
194: ok 30842
194: ok 30843
194: ok 30844
194: ok 30845
194: ok 30846
194: ok 30847
194: ok 30848
194: ok 30849
194: ok 30850
194: ok 30851
194: ok 30852
194: ok 30853
194: ok 30854
194: ok 30855
194: ok 30856
194: ok 30857
194: ok 30858
194: ok 30859
194: ok 30860
194: ok 30861
194: ok 30862
194: ok 30863
194: ok 30864
194: ok 30865
194: ok 30866
194: ok 30867
194: ok 30868
194: ok 30869
194: ok 30870
194: ok 30871
194: ok 30872
194: ok 30873
194: ok 30874
194: ok 30875
194: ok 30876
194: ok 30877
194: ok 30878
194: ok 30879
194: ok 30880
194: ok 30881
194: ok 30882
194: ok 30883
194: ok 30884
194: ok 30885
194: ok 30886
194: ok 30887
194: ok 30888
194: ok 30889
194: ok 30890
194: ok 30891
194: ok 30892
194: ok 30893
194: ok 30894
194: ok 30895
194: ok 30896
194: ok 30897
194: ok 30898
194: ok 30899
194: ok 30900
194: ok 30901
194: ok 30902
194: ok 30903
194: ok 30904
194: ok 30905
194: ok 30906
194: ok 30907
194: ok 30908
194: ok 30909
194: ok 30910
194: ok 30911
194: ok 30912
194: ok 30913
194: ok 30914
194: ok 30915
194: ok 30916
194: ok 30917
194: ok 30918
194: ok 30919
194: ok 30920
194: ok 30921
194: ok 30922
194: ok 30923
194: ok 30924
194: ok 30925
194: ok 30926
194: ok 30927
194: ok 30928
194: ok 30929
194: ok 30930
194: ok 30931
194: ok 30932
194: ok 30933
194: ok 30934
194: ok 30935
194: ok 30936
194: ok 30937
194: ok 30938
194: ok 30939
194: ok 30940
194: ok 30941
194: ok 30942
194: ok 30943
194: ok 30944
194: ok 30945
194: ok 30946
194: ok 30947
194: ok 30948
194: ok 30949
194: ok 30950
194: ok 30951
194: ok 30952
194: ok 30953
194: ok 30954
194: ok 30955
194: ok 30956
194: ok 30957
194: ok 30958
194: ok 30959
194: ok 30960
194: ok 30961
194: ok 30962
194: ok 30963
194: ok 30964
194: ok 30965
194: ok 30966
194: ok 30967
194: ok 30968
194: ok 30969
194: ok 30970
194: ok 30971
194: ok 30972
194: ok 30973
194: ok 30974
194: ok 30975
194: ok 30976
194: ok 30977
194: ok 30978
194: ok 30979
194: ok 30980
194: ok 30981
194: ok 30982
194: ok 30983
194: ok 30984
194: ok 30985
194: ok 30986
194: ok 30987
194: ok 30988
194: ok 30989
194: ok 30990
194: ok 30991
194: ok 30992
194: ok 30993
194: ok 30994
194: ok 30995
194: ok 30996
194: ok 30997
194: ok 30998
194: ok 30999
194: ok 31000
194: ok 31001
194: ok 31002
194: ok 31003
194: ok 31004
194: ok 31005
194: ok 31006
194: ok 31007
194: ok 31008
194: ok 31009
194: ok 31010
194: ok 31011
194: ok 31012
194: ok 31013
194: ok 31014
194: ok 31015
194: ok 31016
194: ok 31017
194: ok 31018
194: ok 31019
194: ok 31020
194: ok 31021
194: ok 31022
194: ok 31023
194: ok 31024
194: ok 31025
194: ok 31026
194: ok 31027
194: ok 31028
194: ok 31029
194: ok 31030
194: ok 31031
194: ok 31032
194: ok 31033
194: ok 31034
194: ok 31035
194: ok 31036
194: ok 31037
194: ok 31038
194: ok 31039
194: ok 31040
194: ok 31041
194: ok 31042
194: ok 31043
194: ok 31044
194: ok 31045
194: ok 31046
194: ok 31047
194: ok 31048
194: ok 31049
194: ok 31050
194: ok 31051
194: ok 31052
194: ok 31053
194: ok 31054
194: ok 31055
194: ok 31056
194: ok 31057
194: ok 31058
194: ok 31059
194: ok 31060
194: ok 31061
194: ok 31062
194: ok 31063
194: ok 31064
194: ok 31065
194: ok 31066
194: ok 31067
194: ok 31068
194: ok 31069
194: ok 31070
194: ok 31071
194: ok 31072
194: ok 31073
194: ok 31074
194: ok 31075
194: ok 31076
194: ok 31077
194: ok 31078
194: ok 31079
194: ok 31080
194: ok 31081
194: ok 31082
194: ok 31083
194: ok 31084
194: ok 31085
194: ok 31086
194: ok 31087
194: ok 31088
194: ok 31089
194: ok 31090
194: ok 31091
194: ok 31092
194: ok 31093
194: ok 31094
194: ok 31095
194: ok 31096
194: ok 31097
194: ok 31098
194: ok 31099
194: ok 31100
194: ok 31101
194: ok 31102
194: ok 31103
194: ok 31104
194: ok 31105
194: ok 31106
194: ok 31107
194: ok 31108
194: ok 31109
194: ok 31110
194: ok 31111
194: ok 31112
194: ok 31113
194: ok 31114
194: ok 31115
194: ok 31116
194: ok 31117
194: ok 31118
194: ok 31119
194: ok 31120
194: ok 31121
194: ok 31122
194: ok 31123
194: ok 31124
194: ok 31125
194: ok 31126
194: ok 31127
194: ok 31128
194: ok 31129
194: ok 31130
194: ok 31131
194: ok 31132
194: ok 31133
194: ok 31134
194: ok 31135
194: ok 31136
194: ok 31137
194: ok 31138
194: ok 31139
194: ok 31140
194: ok 31141
194: ok 31142
194: ok 31143
194: ok 31144
194: ok 31145
194: ok 31146
194: ok 31147
194: ok 31148
194: ok 31149
194: ok 31150
194: ok 31151
194: ok 31152
194: ok 31153
194: ok 31154
194: ok 31155
194: ok 31156
194: ok 31157
194: ok 31158
194: ok 31159
194: ok 31160
194: ok 31161
194: ok 31162
194: ok 31163
194: ok 31164
194: ok 31165
194: ok 31166
194: ok 31167
194: ok 31168
194: ok 31169
194: ok 31170
194: ok 31171
194: ok 31172
194: ok 31173
194: ok 31174
194: ok 31175
194: ok 31176
194: ok 31177
194: ok 31178
194: ok 31179
194: ok 31180
194: ok 31181
194: ok 31182
194: ok 31183
194: ok 31184
194: ok 31185
194: ok 31186
194: ok 31187
194: ok 31188
194: ok 31189
194: ok 31190
194: ok 31191
194: ok 31192
194: ok 31193
194: ok 31194
194: ok 31195
194: ok 31196
194: ok 31197
194: ok 31198
194: ok 31199
194: ok 31200
194: ok 31201
194: ok 31202
194: ok 31203
194: ok 31204
194: ok 31205
194: ok 31206
194: ok 31207
194: ok 31208
194: ok 31209
194: ok 31210
194: ok 31211
194: ok 31212
194: ok 31213
194: ok 31214
194: ok 31215
194: ok 31216
194: ok 31217
194: ok 31218
194: ok 31219
194: ok 31220
194: ok 31221
194: ok 31222
194: ok 31223
194: ok 31224
194: ok 31225
194: ok 31226
194: ok 31227
194: ok 31228
194: ok 31229
194: ok 31230
194: ok 31231
194: ok 31232
194: ok 31233
194: ok 31234
194: ok 31235
194: ok 31236
194: ok 31237
194: ok 31238
194: ok 31239
194: ok 31240
194: ok 31241
194: ok 31242
194: ok 31243
194: ok 31244
194: ok 31245
194: ok 31246
194: ok 31247
194: ok 31248
194: ok 31249
194: ok 31250
194: ok 31251
194: ok 31252
194: ok 31253
194: ok 31254
194: ok 31255
194: ok 31256
194: ok 31257
194: ok 31258
194: ok 31259
194: ok 31260
194: ok 31261
194: ok 31262
194: ok 31263
194: ok 31264
194: ok 31265
194: ok 31266
194: ok 31267
194: ok 31268
194: ok 31269
194: ok 31270
194: ok 31271
194: ok 31272
194: ok 31273
194: ok 31274
194: ok 31275
194: ok 31276
194: ok 31277
194: ok 31278
194: ok 31279
194: ok 31280
194: ok 31281
194: ok 31282
194: ok 31283
194: ok 31284
194: ok 31285
194: ok 31286
194: ok 31287
194: ok 31288
194: ok 31289
194: ok 31290
194: ok 31291
194: ok 31292
194: ok 31293
194: ok 31294
194: ok 31295
194: ok 31296
194: ok 31297
194: ok 31298
194: ok 31299
194: ok 31300
194: ok 31301
194: ok 31302
194: ok 31303
194: ok 31304
194: ok 31305
194: ok 31306
194: ok 31307
194: ok 31308
194: ok 31309
194: ok 31310
194: ok 31311
194: ok 31312
194: ok 31313
194: ok 31314
194: ok 31315
194: ok 31316
194: ok 31317
194: ok 31318
194: ok 31319
194: ok 31320
194: ok 31321
194: ok 31322
194: ok 31323
194: ok 31324
194: ok 31325
194: ok 31326
194: ok 31327
194: ok 31328
194: ok 31329
194: ok 31330
194: ok 31331
194: ok 31332
194: ok 31333
194: ok 31334
194: ok 31335
194: ok 31336
194: ok 31337
194: ok 31338
194: ok 31339
194: ok 31340
194: ok 31341
194: ok 31342
194: ok 31343
194: ok 31344
194: ok 31345
194: ok 31346
194: ok 31347
194: ok 31348
194: ok 31349
194: ok 31350
194: ok 31351
194: ok 31352
194: ok 31353
194: ok 31354
194: ok 31355
194: ok 31356
194: ok 31357
194: ok 31358
194: ok 31359
194: ok 31360
194: ok 31361
194: ok 31362
194: ok 31363
194: ok 31364
194: ok 31365
194: ok 31366
194: ok 31367
194: ok 31368
194: ok 31369
194: ok 31370
194: ok 31371
194: ok 31372
194: ok 31373
194: ok 31374
194: ok 31375
194: ok 31376
194: ok 31377
194: ok 31378
194: ok 31379
194: ok 31380
194: ok 31381
194: ok 31382
194: ok 31383
194: ok 31384
194: ok 31385
194: ok 31386
194: ok 31387
194: ok 31388
194: ok 31389
194: ok 31390
194: ok 31391
194: ok 31392
194: ok 31393
194: ok 31394
194: ok 31395
194: ok 31396
194: ok 31397
194: ok 31398
194: ok 31399
194: ok 31400
194: ok 31401
194: ok 31402
194: ok 31403
194: ok 31404
194: ok 31405
194: ok 31406
194: ok 31407
194: ok 31408
194: ok 31409
194: ok 31410
194: ok 31411
194: ok 31412
194: ok 31413
194: ok 31414
194: ok 31415
194: ok 31416
194: ok 31417
194: ok 31418
194: ok 31419
194: ok 31420
194: ok 31421
194: ok 31422
194: ok 31423
194: ok 31424
194: ok 31425
194: ok 31426
194: ok 31427
194: ok 31428
194: ok 31429
194: ok 31430
194: ok 31431
194: ok 31432
194: ok 31433
194: ok 31434
194: ok 31435
194: ok 31436
194: ok 31437
194: ok 31438
194: ok 31439
194: ok 31440
194: ok 31441
194: ok 31442
194: ok 31443
194: ok 31444
194: ok 31445
194: ok 31446
194: ok 31447
194: ok 31448
194: ok 31449
194: ok 31450
194: ok 31451
194: ok 31452
194: ok 31453
194: ok 31454
194: ok 31455
194: ok 31456
194: ok 31457
194: ok 31458
194: ok 31459
194: ok 31460
194: ok 31461
194: ok 31462
194: ok 31463
194: ok 31464
194: ok 31465
194: ok 31466
194: ok 31467
194: ok 31468
194: ok 31469
194: ok 31470
194: ok 31471
194: ok 31472
194: ok 31473
194: ok 31474
194: ok 31475
194: ok 31476
194: ok 31477
194: ok 31478
194: ok 31479
194: ok 31480
194: ok 31481
194: ok 31482
194: ok 31483
194: ok 31484
194: ok 31485
194: ok 31486
194: ok 31487
194: ok 31488
194: ok 31489
194: ok 31490
194: ok 31491
194: ok 31492
194: ok 31493
194: ok 31494
194: ok 31495
194: ok 31496
194: ok 31497
194: ok 31498
194: ok 31499
194: ok 31500
194: ok 31501
194: ok 31502
194: ok 31503
194: ok 31504
194: ok 31505
194: ok 31506
194: ok 31507
194: ok 31508
194: ok 31509
194: ok 31510
194: ok 31511
194: ok 31512
194: ok 31513
194: ok 31514
194: ok 31515
194: ok 31516
194: ok 31517
194: ok 31518
194: ok 31519
194: ok 31520
194: ok 31521
194: ok 31522
194: ok 31523
194: ok 31524
194: ok 31525
194: ok 31526
194: ok 31527
194: ok 31528
194: ok 31529
194: ok 31530
194: ok 31531
194: ok 31532
194: ok 31533
194: ok 31534
194: ok 31535
194: ok 31536
194: ok 31537
194: ok 31538
194: ok 31539
194: ok 31540
194: ok 31541
194: ok 31542
194: ok 31543
194: ok 31544
194: ok 31545
194: ok 31546
194: ok 31547
194: ok 31548
194: ok 31549
194: ok 31550
194: ok 31551
194: ok 31552
194: ok 31553
194: ok 31554
194: ok 31555
194: ok 31556
194: ok 31557
194: ok 31558
194: ok 31559
194: ok 31560
194: ok 31561
194: ok 31562
194: ok 31563
194: ok 31564
194: ok 31565
194: ok 31566
194: ok 31567
194: ok 31568
194: ok 31569
194: ok 31570
194: ok 31571
194: ok 31572
194: ok 31573
194: ok 31574
194: ok 31575
194: ok 31576
194: ok 31577
194: ok 31578
194: ok 31579
194: ok 31580
194: ok 31581
194: ok 31582
194: ok 31583
194: ok 31584
194: ok 31585
194: ok 31586
194: ok 31587
194: ok 31588
194: ok 31589
194: ok 31590
194: ok 31591
194: ok 31592
194: ok 31593
194: ok 31594
194: ok 31595
194: ok 31596
194: ok 31597
194: ok 31598
194: ok 31599
194: ok 31600
194: ok 31601
194: ok 31602
194: ok 31603
194: ok 31604
194: ok 31605
194: ok 31606
194: ok 31607
194: ok 31608
194: ok 31609
194: ok 31610
194: ok 31611
194: ok 31612
194: ok 31613
194: ok 31614
194: ok 31615
194: ok 31616
194: ok 31617
194: ok 31618
194: ok 31619
194: ok 31620
194: ok 31621
194: ok 31622
194: ok 31623
194: ok 31624
194: ok 31625
194: ok 31626
194: ok 31627
194: ok 31628
194: ok 31629
194: ok 31630
194: ok 31631
194: ok 31632
194: ok 31633
194: ok 31634
194: ok 31635
194: ok 31636
194: ok 31637
194: ok 31638
194: ok 31639
194: ok 31640
194: ok 31641
194: ok 31642
194: ok 31643
194: ok 31644
194: ok 31645
194: ok 31646
194: ok 31647
194: ok 31648
194: ok 31649
194: ok 31650
194: ok 31651
194: ok 31652
194: ok 31653
194: ok 31654
194: ok 31655
194: ok 31656
194: ok 31657
194: ok 31658
194: ok 31659
194: ok 31660
194: ok 31661
194: ok 31662
194: ok 31663
194: ok 31664
194: ok 31665
194: ok 31666
194: ok 31667
194: ok 31668
194: ok 31669
194: ok 31670
194: ok 31671
194: ok 31672
194: ok 31673
194: ok 31674
194: ok 31675
194: ok 31676
194: ok 31677
194: ok 31678
194: ok 31679
194: ok 31680
194: ok 31681
194: ok 31682
194: ok 31683
194: ok 31684
194: ok 31685
194: ok 31686
194: ok 31687
194: ok 31688
194: ok 31689
194: ok 31690
194: ok 31691
194: ok 31692
194: ok 31693
194: ok 31694
194: ok 31695
194: ok 31696
194: ok 31697
194: ok 31698
194: ok 31699
194: ok 31700
194: ok 31701
194: ok 31702
194: ok 31703
194: ok 31704
194: ok 31705
194: ok 31706
194: ok 31707
194: ok 31708
194: ok 31709
194: ok 31710
194: ok 31711
194: ok 31712
194: ok 31713
194: ok 31714
194: ok 31715
194: ok 31716
194: ok 31717
194: ok 31718
194: ok 31719
194: ok 31720
194: ok 31721
194: ok 31722
194: ok 31723
194: ok 31724
194: ok 31725
194: ok 31726
194: ok 31727
194: ok 31728
194: ok 31729
194: ok 31730
194: ok 31731
194: ok 31732
194: ok 31733
194: ok 31734
194: ok 31735
194: ok 31736
194: ok 31737
194: ok 31738
194: ok 31739
194: ok 31740
194: ok 31741
194: ok 31742
194: ok 31743
194: ok 31744
194: ok 31745
194: ok 31746
194: ok 31747
194: ok 31748
194: ok 31749
194: ok 31750
194: ok 31751
194: ok 31752
194: ok 31753
194: ok 31754
194: ok 31755
194: ok 31756
194: ok 31757
194: ok 31758
194: ok 31759
194: ok 31760
194: ok 31761
194: ok 31762
194: ok 31763
194: ok 31764
194: ok 31765
194: ok 31766
194: ok 31767
194: ok 31768
194: ok 31769
194: ok 31770
194: ok 31771
194: ok 31772
194: ok 31773
194: ok 31774
194: ok 31775
194: ok 31776
194: ok 31777
194: ok 31778
194: ok 31779
194: ok 31780
194: ok 31781
194: ok 31782
194: ok 31783
194: ok 31784
194: ok 31785
194: ok 31786
194: ok 31787
194: ok 31788
194: ok 31789
194: ok 31790
194: ok 31791
194: ok 31792
194: ok 31793
194: ok 31794
194: ok 31795
194: ok 31796
194: ok 31797
194: ok 31798
194: ok 31799
194: ok 31800
194: ok 31801
194: ok 31802
194: ok 31803
194: ok 31804
194: ok 31805
194: ok 31806
194: ok 31807
194: ok 31808
194: ok 31809
194: ok 31810
194: ok 31811
194: ok 31812
194: ok 31813
194: ok 31814
194: ok 31815
194: ok 31816
194: ok 31817
194: ok 31818
194: ok 31819
194: ok 31820
194: ok 31821
194: ok 31822
194: ok 31823
194: ok 31824
194: ok 31825
194: ok 31826
194: ok 31827
194: ok 31828
194: ok 31829
194: ok 31830
194: ok 31831
194: ok 31832
194: ok 31833
194: ok 31834
194: ok 31835
194: ok 31836
194: ok 31837
194: ok 31838
194: ok 31839
194: ok 31840
194: ok 31841
194: ok 31842
194: ok 31843
194: ok 31844
194: ok 31845
194: ok 31846
194: ok 31847
194: ok 31848
194: ok 31849
194: ok 31850
194: ok 31851
194: ok 31852
194: ok 31853
194: ok 31854
194: ok 31855
194: ok 31856
194: ok 31857
194: ok 31858
194: ok 31859
194: ok 31860
194: ok 31861
194: ok 31862
194: ok 31863
194: ok 31864
194: ok 31865
194: ok 31866
194: ok 31867
194: ok 31868
194: ok 31869
194: ok 31870
194: ok 31871
194: ok 31872
194: ok 31873
194: ok 31874
194: ok 31875
194: ok 31876
194: ok 31877
194: ok 31878
194: ok 31879
194: ok 31880
194: ok 31881
194: ok 31882
194: ok 31883
194: ok 31884
194: ok 31885
194: ok 31886
194: ok 31887
194: ok 31888
194: ok 31889
194: ok 31890
194: ok 31891
194: ok 31892
194: ok 31893
194: ok 31894
194: ok 31895
194: ok 31896
194: ok 31897
194: ok 31898
194: ok 31899
194: ok 31900
194: ok 31901
194: ok 31902
194: ok 31903
194: ok 31904
194: ok 31905
194: ok 31906
194: ok 31907
194: ok 31908
194: ok 31909
194: ok 31910
194: ok 31911
194: ok 31912
194: ok 31913
194: ok 31914
194: ok 31915
194: ok 31916
194: ok 31917
194: ok 31918
194: ok 31919
194: ok 31920
194: ok 31921
194: ok 31922
194: ok 31923
194: ok 31924
194: ok 31925
194: ok 31926
194: ok 31927
194: ok 31928
194: ok 31929
194: ok 31930
194: ok 31931
194: ok 31932
194: ok 31933
194: ok 31934
194: ok 31935
194: ok 31936
194: ok 31937
194: ok 31938
194: ok 31939
194: ok 31940
194: ok 31941
194: ok 31942
194: ok 31943
194: ok 31944
194: ok 31945
194: ok 31946
194: ok 31947
194: ok 31948
194: ok 31949
194: ok 31950
194: ok 31951
194: ok 31952
194: ok 31953
194: ok 31954
194: ok 31955
194: ok 31956
194: ok 31957
194: ok 31958
194: ok 31959
194: ok 31960
194: ok 31961
194: ok 31962
194: ok 31963
194: ok 31964
194: ok 31965
194: ok 31966
194: ok 31967
194: ok 31968
194: ok 31969
194: ok 31970
194: ok 31971
194: ok 31972
194: ok 31973
194: ok 31974
194: ok 31975
194: ok 31976
194: ok 31977
194: ok 31978
194: ok 31979
194: ok 31980
194: ok 31981
194: ok 31982
194: ok 31983
194: ok 31984
194: ok 31985
194: ok 31986
194: ok 31987
194: ok 31988
194: ok 31989
194: ok 31990
194: ok 31991
194: ok 31992
194: ok 31993
194: ok 31994
194: ok 31995
194: ok 31996
194: ok 31997
194: ok 31998
194: ok 31999
194: ok 32000
194: ok 32001
194: ok 32002
194: ok 32003
194: ok 32004
194: ok 32005
194: ok 32006
194: ok 32007
194: ok 32008
194: ok 32009
194: ok 32010
194: ok 32011
194: ok 32012
194: ok 32013
194: ok 32014
194: ok 32015
194: ok 32016
194: ok 32017
194: ok 32018
194: ok 32019
194: ok 32020
194: ok 32021
194: ok 32022
194: ok 32023
194: ok 32024
194: ok 32025
194: ok 32026
194: ok 32027
194: ok 32028
194: ok 32029
194: ok 32030
194: ok 32031
194: ok 32032
194: ok 32033
194: ok 32034
194: ok 32035
194: ok 32036
194: ok 32037
194: ok 32038
194: ok 32039
194: ok 32040
194: ok 32041
194: ok 32042
194: ok 32043
194: ok 32044
194: ok 32045
194: ok 32046
194: ok 32047
194: ok 32048
194: ok 32049
194: ok 32050
194: ok 32051
194: ok 32052
194: ok 32053
194: ok 32054
194: ok 32055
194: ok 32056
194: ok 32057
194: ok 32058
194: ok 32059
194: ok 32060
194: ok 32061
194: ok 32062
194: ok 32063
194: ok 32064
194: ok 32065
194: ok 32066
194: ok 32067
194: ok 32068
194: ok 32069
194: ok 32070
194: ok 32071
194: ok 32072
194: ok 32073
194: ok 32074
194: ok 32075
194: ok 32076
194: ok 32077
194: ok 32078
194: ok 32079
194: ok 32080
194: ok 32081
194: ok 32082
194: ok 32083
194: ok 32084
194: ok 32085
194: ok 32086
194: ok 32087
194: ok 32088
194: ok 32089
194: ok 32090
194: ok 32091
194: ok 32092
194: ok 32093
194: ok 32094
194: ok 32095
194: ok 32096
194: ok 32097
194: ok 32098
194: ok 32099
194: ok 32100
194: ok 32101
194: ok 32102
194: ok 32103
194: ok 32104
194: ok 32105
194: ok 32106
194: ok 32107
194: ok 32108
194: ok 32109
194: ok 32110
194: ok 32111
194: ok 32112
194: ok 32113
194: ok 32114
194: ok 32115
194: ok 32116
194: ok 32117
194: ok 32118
194: ok 32119
194: ok 32120
194: ok 32121
194: ok 32122
194: ok 32123
194: ok 32124
194: ok 32125
194: ok 32126
194: ok 32127
194: ok 32128
194: ok 32129
194: ok 32130
194: ok 32131
194: ok 32132
194: ok 32133
194: ok 32134
194: ok 32135
194: ok 32136
194: ok 32137
194: ok 32138
194: ok 32139
194: ok 32140
194: ok 32141
194: ok 32142
194: ok 32143
194: ok 32144
194: ok 32145
194: ok 32146
194: ok 32147
194: ok 32148
194: ok 32149
194: ok 32150
194: ok 32151
194: ok 32152
194: ok 32153
194: ok 32154
194: ok 32155
194: ok 32156
194: ok 32157
194: ok 32158
194: ok 32159
194: ok 32160
194: ok 32161
194: ok 32162
194: ok 32163
194: ok 32164
194: ok 32165
194: ok 32166
194: ok 32167
194: ok 32168
194: ok 32169
194: ok 32170
194: ok 32171
194: ok 32172
194: ok 32173
194: ok 32174
194: ok 32175
194: ok 32176
194: ok 32177
194: ok 32178
194: ok 32179
194: ok 32180
194: ok 32181
194: ok 32182
194: ok 32183
194: ok 32184
194: ok 32185
194: ok 32186
194: ok 32187
194: ok 32188
194: ok 32189
194: ok 32190
194: ok 32191
194: ok 32192
194: ok 32193
194: ok 32194
194: ok 32195
194: ok 32196
194: ok 32197
194: ok 32198
194: ok 32199
194: ok 32200
194: ok 32201
194: ok 32202
194: ok 32203
194: ok 32204
194: ok 32205
194: ok 32206
194: ok 32207
194: ok 32208
194: ok 32209
194: ok 32210
194: ok 32211
194: ok 32212
194: ok 32213
194: ok 32214
194: ok 32215
194: ok 32216
194: ok 32217
194: ok 32218
194: ok 32219
194: ok 32220
194: ok 32221
194: ok 32222
194: ok 32223
194: ok 32224
194: ok 32225
194: ok 32226
194: ok 32227
194: ok 32228
194: ok 32229
194: ok 32230
194: ok 32231
194: ok 32232
194: ok 32233
194: ok 32234
194: ok 32235
194: ok 32236
194: ok 32237
194: ok 32238
194: ok 32239
194: ok 32240
194: ok 32241
194: ok 32242
194: ok 32243
194: ok 32244
194: ok 32245
194: ok 32246
194: ok 32247
194: ok 32248
194: ok 32249
194: ok 32250
194: ok 32251
194: ok 32252
194: ok 32253
194: ok 32254
194: ok 32255
194: ok 32256
194: ok 32257
194: ok 32258
194: ok 32259
194: ok 32260
194: ok 32261
194: ok 32262
194: ok 32263
194: ok 32264
194: ok 32265
194: ok 32266
194: ok 32267
194: ok 32268
194: ok 32269
194: ok 32270
194: ok 32271
194: ok 32272
194: ok 32273
194: ok 32274
194: ok 32275
194: ok 32276
194: ok 32277
194: ok 32278
194: ok 32279
194: ok 32280
194: ok 32281
194: ok 32282
194: ok 32283
194: ok 32284
194: ok 32285
194: ok 32286
194: ok 32287
194: ok 32288
194: ok 32289
194: ok 32290
194: ok 32291
194: ok 32292
194: ok 32293
194: ok 32294
194: ok 32295
194: ok 32296
194: ok 32297
194: ok 32298
194: ok 32299
194: ok 32300
194: ok 32301
194: ok 32302
194: ok 32303
194: ok 32304
194: ok 32305
194: ok 32306
194: ok 32307
194: ok 32308
194: ok 32309
194: ok 32310
194: ok 32311
194: ok 32312
194: ok 32313
194: ok 32314
194: ok 32315
194: ok 32316
194: ok 32317
194: ok 32318
194: ok 32319
194: ok 32320
194: ok 32321
194: ok 32322
194: ok 32323
194: ok 32324
194: ok 32325
194: ok 32326
194: ok 32327
194: ok 32328
194: ok 32329
194: ok 32330
194: ok 32331
194: ok 32332
194: ok 32333
194: ok 32334
194: ok 32335
194: ok 32336
194: ok 32337
194: ok 32338
194: ok 32339
194: ok 32340
194: ok 32341
194: ok 32342
194: ok 32343
194: ok 32344
194: ok 32345
194: ok 32346
194: ok 32347
194: ok 32348
194: ok 32349
194: ok 32350
194: ok 32351
194: ok 32352
194: ok 32353
194: ok 32354
194: ok 32355
194: ok 32356
194: ok 32357
194: ok 32358
194: ok 32359
194: ok 32360
194: ok 32361
194: ok 32362
194: ok 32363
194: ok 32364
194: ok 32365
194: ok 32366
194: ok 32367
194: ok 32368
194: ok 32369
194: ok 32370
194: ok 32371
194: ok 32372
194: ok 32373
194: ok 32374
194: ok 32375
194: ok 32376
194: ok 32377
194: ok 32378
194: ok 32379
194: ok 32380
194: ok 32381
194: ok 32382
194: ok 32383
194: ok 32384
194: ok 32385
194: ok 32386
194: ok 32387
194: ok 32388
194: ok 32389
194: ok 32390
194: ok 32391
194: ok 32392
194: ok 32393
194: ok 32394
194: ok 32395
194: ok 32396
194: ok 32397
194: ok 32398
194: ok 32399
194: ok 32400
194: ok 32401
194: ok 32402
194: ok 32403
194: ok 32404
194: ok 32405
194: ok 32406
194: ok 32407
194: ok 32408
194: ok 32409
194: ok 32410
194: ok 32411
194: ok 32412
194: ok 32413
194: ok 32414
194: ok 32415
194: ok 32416
194: ok 32417
194: ok 32418
194: ok 32419
194: ok 32420
194: ok 32421
194: ok 32422
194: ok 32423
194: ok 32424
194: ok 32425
194: ok 32426
194: ok 32427
194: ok 32428
194: ok 32429
194: ok 32430
194: ok 32431
194: ok 32432
194: ok 32433
194: ok 32434
194: ok 32435
194: ok 32436
194: ok 32437
194: ok 32438
194: ok 32439
194: ok 32440
194: ok 32441
194: ok 32442
194: ok 32443
194: ok 32444
194: ok 32445
194: ok 32446
194: ok 32447
194: ok 32448
194: ok 32449
194: ok 32450
194: ok 32451
194: ok 32452
194: ok 32453
194: ok 32454
194: ok 32455
194: ok 32456
194: ok 32457
194: ok 32458
194: ok 32459
194: ok 32460
194: ok 32461
194: ok 32462
194: ok 32463
194: ok 32464
194: ok 32465
194: ok 32466
194: ok 32467
194: ok 32468
194: ok 32469
194: ok 32470
194: ok 32471
194: ok 32472
194: ok 32473
194: ok 32474
194: ok 32475
194: ok 32476
194: ok 32477
194: ok 32478
194: ok 32479
194: ok 32480
194: ok 32481
194: ok 32482
194: ok 32483
194: ok 32484
194: ok 32485
194: ok 32486
194: ok 32487
194: ok 32488
194: ok 32489
194: ok 32490
194: ok 32491
194: ok 32492
194: ok 32493
194: ok 32494
194: ok 32495
194: ok 32496
194: ok 32497
194: ok 32498
194: ok 32499
194: ok 32500
194: ok 32501
194: ok 32502
194: ok 32503
194: ok 32504
194: ok 32505
194: ok 32506
194: ok 32507
194: ok 32508
194: ok 32509
194: ok 32510
194: ok 32511
194: ok 32512
194: ok 32513
194: ok 32514
194: ok 32515
194: ok 32516
194: ok 32517
194: ok 32518
194: ok 32519
194: ok 32520
194: ok 32521
194: ok 32522
194: ok 32523
194: ok 32524
194: ok 32525
194: ok 32526
194: ok 32527
194: ok 32528
194: ok 32529
194: ok 32530
194: ok 32531
194: ok 32532
194: ok 32533
194: ok 32534
194: ok 32535
194: ok 32536
194: ok 32537
194: ok 32538
194: ok 32539
194: ok 32540
194: ok 32541
194: ok 32542
194: ok 32543
194: ok 32544
194: ok 32545
194: ok 32546
194: ok 32547
194: ok 32548
194: ok 32549
194: ok 32550
194: ok 32551
194: ok 32552
194: ok 32553
194: ok 32554
194: ok 32555
194: ok 32556
194: ok 32557
194: ok 32558
194: ok 32559
194: ok 32560
194: ok 32561
194: ok 32562
194: ok 32563
194: ok 32564
194: ok 32565
194: ok 32566
194: ok 32567
194: ok 32568
194: ok 32569
194: ok 32570
194: ok 32571
194: ok 32572
194: ok 32573
194: ok 32574
194: ok 32575
194: ok 32576
194: ok 32577
194: ok 32578
194: ok 32579
194: ok 32580
194: ok 32581
194: ok 32582
194: ok 32583
194: ok 32584
194: ok 32585
194: ok 32586
194: ok 32587
194: ok 32588
194: ok 32589
194: ok 32590
194: ok 32591
194: ok 32592
194: ok 32593
194: ok 32594
194: ok 32595
194: ok 32596
194: ok 32597
194: ok 32598
194: ok 32599
194: ok 32600
194: ok 32601
194: ok 32602
194: ok 32603
194: ok 32604
194: ok 32605
194: ok 32606
194: ok 32607
194: ok 32608
194: ok 32609
194: ok 32610
194: ok 32611
194: ok 32612
194: ok 32613
194: ok 32614
194: ok 32615
194: ok 32616
194: ok 32617
194: ok 32618
194: ok 32619
194: ok 32620
194: ok 32621
194: ok 32622
194: ok 32623
194: ok 32624
194: ok 32625
194: ok 32626
194: ok 32627
194: ok 32628
194: ok 32629
194: ok 32630
194: ok 32631
194: ok 32632
194: ok 32633
194: ok 32634
194: ok 32635
194: ok 32636
194: ok 32637
194: ok 32638
194: ok 32639
194: ok 32640
194: ok 32641
194: ok 32642
194: ok 32643
194: ok 32644
194: ok 32645
194: ok 32646
194: ok 32647
194: ok 32648
194: ok 32649
194: ok 32650
194: ok 32651
194: ok 32652
194: ok 32653
194: ok 32654
194: ok 32655
194: ok 32656
194: ok 32657
194: ok 32658
194: ok 32659
194: ok 32660
194: ok 32661
194: ok 32662
194: ok 32663
194: ok 32664
194: ok 32665
194: ok 32666
194: ok 32667
194: ok 32668
194: ok 32669
194: ok 32670
194: ok 32671
194: ok 32672
194: ok 32673
194: ok 32674
194: ok 32675
194: ok 32676
194: ok 32677
194: ok 32678
194: ok 32679
194: ok 32680
194: ok 32681
194: ok 32682
194: ok 32683
194: ok 32684
194: ok 32685
194: ok 32686
194: ok 32687
194: ok 32688
194: ok 32689
194: ok 32690
194: ok 32691
194: ok 32692
194: ok 32693
194: ok 32694
194: ok 32695
194: ok 32696
194: ok 32697
194: ok 32698
194: ok 32699
194: ok 32700
194: ok 32701
194: ok 32702
194: ok 32703
194: ok 32704
194: ok 32705
194: ok 32706
194: ok 32707
194: ok 32708
194: ok 32709
194: ok 32710
194: ok 32711
194: ok 32712
194: ok 32713
194: ok 32714
194: ok 32715
194: ok 32716
194: ok 32717
194: ok 32718
194: ok 32719
194: ok 32720
194: ok 32721
194: ok 32722
194: ok 32723
194: ok 32724
194: ok 32725
194: ok 32726
194: ok 32727
194: ok 32728
194: ok 32729
194: ok 32730
194: ok 32731
194: ok 32732
194: ok 32733
194: ok 32734
194: ok 32735
194: ok 32736
194: ok 32737
194: ok 32738
194: ok 32739
194: ok 32740
194: ok 32741
194: ok 32742
194: ok 32743
194: ok 32744
194: ok 32745
194: ok 32746
194: ok 32747
194: ok 32748
194: ok 32749
194: ok 32750
194: ok 32751
194: ok 32752
194: ok 32753
194: ok 32754
194: ok 32755
194: ok 32756
194: ok 32757
194: ok 32758
194: ok 32759
194: ok 32760
194: ok 32761
194: ok 32762
194: ok 32763
194: ok 32764
194: ok 32765
194: ok 32766
194: ok 32767
194: ok 32768
194: ok 32769
194: ok 32770
194: ok 32771
194: ok 32772
194: ok 32773
194: ok 32774
194: ok 32775
194: ok 32776
194: ok 32777
194: ok 32778
194: ok 32779
194: ok 32780
194: ok 32781
194: ok 32782
194: ok 32783
194: ok 32784
194: ok 32785
194: ok 32786
194: ok 32787
194: ok 32788
194: ok 32789
194: ok 32790
194: ok 32791
194: ok 32792
194: ok 32793
194: ok 32794
194: ok 32795
194: ok 32796
194: ok 32797
194: ok 32798
194: ok 32799
194: ok 32800
194: ok 32801
194: ok 32802
194: ok 32803
194: ok 32804
194: ok 32805
194: ok 32806
194: ok 32807
194: ok 32808
194: ok 32809
194: ok 32810
194: ok 32811
194: ok 32812
194: ok 32813
194: ok 32814
194: ok 32815
194: ok 32816
194: ok 32817
194: ok 32818
194: ok 32819
194: ok 32820
194: ok 32821
194: ok 32822
194: ok 32823
194: ok 32824
194: ok 32825
194: ok 32826
194: ok 32827
194: ok 32828
194: ok 32829
194: ok 32830
194: ok 32831
194: ok 32832
194: ok 32833
194: ok 32834
194: ok 32835
194: ok 32836
194: ok 32837
194: ok 32838
194: ok 32839
194: ok 32840
194: ok 32841
194: ok 32842
194: ok 32843
194: ok 32844
194: ok 32845
194: ok 32846
194: ok 32847
194: ok 32848
194: ok 32849
194: ok 32850
194: ok 32851
194: ok 32852
194: ok 32853
194: ok 32854
194: ok 32855
194: ok 32856
194: ok 32857
194: ok 32858
194: ok 32859
194: ok 32860
194: ok 32861
194: ok 32862
194: ok 32863
194: ok 32864
194: ok 32865
194: ok 32866
194: ok 32867
194: ok 32868
194: ok 32869
194: ok 32870
194: ok 32871
194: ok 32872
194: ok 32873
194: ok 32874
194: ok 32875
194: ok 32876
194: ok 32877
194: ok 32878
194: ok 32879
194: ok 32880
194: ok 32881
194: ok 32882
194: ok 32883
194: ok 32884
194: ok 32885
194: ok 32886
194: ok 32887
194: ok 32888
194: ok 32889
194: ok 32890
194: ok 32891
194: ok 32892
194: ok 32893
194: ok 32894
194: ok 32895
194: ok 32896
194: ok 32897
194: ok 32898
194: ok 32899
194: ok 32900
194: ok 32901
194: ok 32902
194: ok 32903
194: ok 32904
194: ok 32905
194: ok 32906
194: ok 32907
194: ok 32908
194: ok 32909
194: ok 32910
194: ok 32911
194: ok 32912
194: ok 32913
194: ok 32914
194: ok 32915
194: ok 32916
194: ok 32917
194: ok 32918
194: ok 32919
194: ok 32920
194: ok 32921
194: ok 32922
194: ok 32923
194: ok 32924
194: ok 32925
194: ok 32926
194: ok 32927
194: ok 32928
194: ok 32929
194: ok 32930
194: ok 32931
194: ok 32932
194: ok 32933
194: ok 32934
194: ok 32935
194: ok 32936
194: ok 32937
194: ok 32938
194: ok 32939
194: ok 32940
194: ok 32941
194: ok 32942
194: ok 32943
194: ok 32944
194: ok 32945
194: ok 32946
194: ok 32947
194: ok 32948
194: ok 32949
194: ok 32950
194: ok 32951
194: ok 32952
194: ok 32953
194: ok 32954
194: ok 32955
194: ok 32956
194: ok 32957
194: ok 32958
194: ok 32959
194: ok 32960
194: ok 32961
194: ok 32962
194: ok 32963
194: ok 32964
194: ok 32965
194: ok 32966
194: ok 32967
194: ok 32968
194: ok 32969
194: ok 32970
194: ok 32971
194: ok 32972
194: ok 32973
194: ok 32974
194: ok 32975
194: ok 32976
194: ok 32977
194: ok 32978
194: ok 32979
194: ok 32980
194: ok 32981
194: ok 32982
194: ok 32983
194: ok 32984
194: ok 32985
194: ok 32986
194: ok 32987
194: ok 32988
194: ok 32989
194: ok 32990
194: ok 32991
194: ok 32992
194: ok 32993
194: ok 32994
194: ok 32995
194: ok 32996
194: ok 32997
194: ok 32998
194: ok 32999
194: ok 33000
194: ok 33001
194: ok 33002
194: ok 33003
194: ok 33004
194: ok 33005
194: ok 33006
194: ok 33007
194: ok 33008
194: ok 33009
194: ok 33010
194: ok 33011
194: ok 33012
194: ok 33013
194: ok 33014
194: ok 33015
194: ok 33016
194: ok 33017
194: ok 33018
194: ok 33019
194: ok 33020
194: ok 33021
194: ok 33022
194: ok 33023
194: ok 33024
194: ok 33025
194: ok 33026
194: ok 33027
194: ok 33028
194: ok 33029
194: ok 33030
194: ok 33031
194: ok 33032
194: ok 33033
194: ok 33034
194: ok 33035
194: ok 33036
194: ok 33037
194: ok 33038
194: ok 33039
194: ok 33040
194: ok 33041
194: ok 33042
194: ok 33043
194: ok 33044
194: ok 33045
194: ok 33046
194: ok 33047
194: ok 33048
194: ok 33049
194: ok 33050
194: ok 33051
194: ok 33052
194: ok 33053
194: ok 33054
194: ok 33055
194: ok 33056
194: ok 33057
194: ok 33058
194: ok 33059
194: ok 33060
194: ok 33061
194: ok 33062
194: ok 33063
194: ok 33064
194: ok 33065
194: ok 33066
194: ok 33067
194: ok 33068
194: ok 33069
194: ok 33070
194: ok 33071
194: ok 33072
194: ok 33073
194: ok 33074
194: ok 33075
194: ok 33076
194: ok 33077
194: ok 33078
194: ok 33079
194: ok 33080
194: ok 33081
194: ok 33082
194: ok 33083
194: ok 33084
194: ok 33085
194: ok 33086
194: ok 33087
194: ok 33088
194: ok 33089
194: ok 33090
194: ok 33091
194: ok 33092
194: ok 33093
194: ok 33094
194: ok 33095
194: ok 33096
194: ok 33097
194: ok 33098
194: ok 33099
194: ok 33100
194: ok 33101
194: ok 33102
194: ok 33103
194: ok 33104
194: ok 33105
194: ok 33106
194: ok 33107
194: ok 33108
194: ok 33109
194: ok 33110
194: ok 33111
194: ok 33112
194: ok 33113
194: ok 33114
194: ok 33115
194: ok 33116
194: ok 33117
194: ok 33118
194: ok 33119
194: ok 33120
194: ok 33121
194: ok 33122
194: ok 33123
194: ok 33124
194: ok 33125
194: ok 33126
194: ok 33127
194: ok 33128
194: ok 33129
194: ok 33130
194: ok 33131
194: ok 33132
194: ok 33133
194: ok 33134
194: ok 33135
194: ok 33136
194: ok 33137
194: ok 33138
194: ok 33139
194: ok 33140
194: ok 33141
194: ok 33142
194: ok 33143
194: ok 33144
194: ok 33145
194: ok 33146
194: ok 33147
194: ok 33148
194: ok 33149
194: ok 33150
194: ok 33151
194: ok 33152
194: ok 33153
194: ok 33154
194: ok 33155
194: ok 33156
194: ok 33157
194: ok 33158
194: ok 33159
194: ok 33160
194: ok 33161
194: ok 33162
194: ok 33163
194: ok 33164
194: ok 33165
194: ok 33166
194: ok 33167
194: ok 33168
194: ok 33169
194: ok 33170
194: ok 33171
194: ok 33172
194: ok 33173
194: ok 33174
194: ok 33175
194: ok 33176
194: ok 33177
194: ok 33178
194: ok 33179
194: ok 33180
194: ok 33181
194: ok 33182
194: ok 33183
194: ok 33184
194: ok 33185
194: ok 33186
194: ok 33187
194: ok 33188
194: ok 33189
194: ok 33190
194: ok 33191
194: ok 33192
194: ok 33193
194: ok 33194
194: ok 33195
194: ok 33196
194: ok 33197
194: ok 33198
194: ok 33199
194: ok 33200
194: ok 33201
194: ok 33202
194: ok 33203
194: ok 33204
194: ok 33205
194: ok 33206
194: ok 33207
194: ok 33208
194: ok 33209
194: ok 33210
194: ok 33211
194: ok 33212
194: ok 33213
194: ok 33214
194: ok 33215
194: ok 33216
194: ok 33217
194: ok 33218
194: ok 33219
194: ok 33220
194: ok 33221
194: ok 33222
194: ok 33223
194: ok 33224
194: ok 33225
194: ok 33226
194: ok 33227
194: ok 33228
194: ok 33229
194: ok 33230
194: ok 33231
194: ok 33232
194: ok 33233
194: ok 33234
194: ok 33235
194: ok 33236
194: ok 33237
194: ok 33238
194: ok 33239
194: ok 33240
194: ok 33241
194: ok 33242
194: ok 33243
194: ok 33244
194: ok 33245
194: ok 33246
194: ok 33247
194: ok 33248
194: ok 33249
194: ok 33250
194: ok 33251
194: ok 33252
194: ok 33253
194: ok 33254
194: ok 33255
194: ok 33256
194: ok 33257
194: ok 33258
194: ok 33259
194: ok 33260
194: ok 33261
194: ok 33262
194: ok 33263
194: ok 33264
194: ok 33265
194: ok 33266
194: ok 33267
194: ok 33268
194: ok 33269
194: ok 33270
194: ok 33271
194: ok 33272
194: ok 33273
194: ok 33274
194: ok 33275
194: ok 33276
194: ok 33277
194: ok 33278
194: ok 33279
194: ok 33280
194: ok 33281
194: ok 33282
194: ok 33283
194: ok 33284
194: ok 33285
194: ok 33286
194: ok 33287
194: ok 33288
194: ok 33289
194: ok 33290
194: ok 33291
194: ok 33292
194: ok 33293
194: ok 33294
194: ok 33295
194: ok 33296
194: ok 33297
194: ok 33298
194: ok 33299
194: ok 33300
194: ok 33301
194: ok 33302
194: ok 33303
194: ok 33304
194: ok 33305
194: ok 33306
194: ok 33307
194: ok 33308
194: ok 33309
194: ok 33310
194: ok 33311
194: ok 33312
194: ok 33313
194: ok 33314
194: ok 33315
194: ok 33316
194: ok 33317
194: ok 33318
194: ok 33319
194: ok 33320
194: ok 33321
194: ok 33322
194: ok 33323
194: ok 33324
194: ok 33325
194: ok 33326
194: ok 33327
194: ok 33328
194: ok 33329
194: ok 33330
194: ok 33331
194: ok 33332
194: ok 33333
194: ok 33334
194: ok 33335
194: ok 33336
194: ok 33337
194: ok 33338
194: ok 33339
194: ok 33340
194: ok 33341
194: ok 33342
194: ok 33343
194: ok 33344
194: ok 33345
194: ok 33346
194: ok 33347
194: ok 33348
194: ok 33349
194: ok 33350
194: ok 33351
194: ok 33352
194: ok 33353
194: ok 33354
194: ok 33355
194: ok 33356
194: ok 33357
194: ok 33358
194: ok 33359
194: ok 33360
194: ok 33361
194: ok 33362
194: ok 33363
194: ok 33364
194: ok 33365
194: ok 33366
194: ok 33367
194: ok 33368
194: ok 33369
194: ok 33370
194: ok 33371
194: ok 33372
194: ok 33373
194: ok 33374
194: ok 33375
194: ok 33376
194: ok 33377
194: ok 33378
194: ok 33379
194: ok 33380
194: ok 33381
194: ok 33382
194: ok 33383
194: ok 33384
194: ok 33385
194: ok 33386
194: ok 33387
194: ok 33388
194: ok 33389
194: ok 33390
194: ok 33391
194: ok 33392
194: ok 33393
194: ok 33394
194: ok 33395
194: ok 33396
194: ok 33397
194: ok 33398
194: ok 33399
194: ok 33400
194: ok 33401
194: ok 33402
194: ok 33403
194: ok 33404
194: ok 33405
194: ok 33406
194: ok 33407
194: ok 33408
194: ok 33409
194: ok 33410
194: ok 33411
194: ok 33412
194: ok 33413
194: ok 33414
194: ok 33415
194: ok 33416
194: ok 33417
194: ok 33418
194: ok 33419
194: ok 33420
194: ok 33421
194: ok 33422
194: ok 33423
194: ok 33424
194: ok 33425
194: ok 33426
194: ok 33427
194: ok 33428
194: ok 33429
194: ok 33430
194: ok 33431
194: ok 33432
194: ok 33433
194: ok 33434
194: ok 33435
194: ok 33436
194: ok 33437
194: ok 33438
194: ok 33439
194: ok 33440
194: ok 33441
194: ok 33442
194: ok 33443
194: ok 33444
194: ok 33445
194: ok 33446
194: ok 33447
194: ok 33448
194: ok 33449
194: ok 33450
194: ok 33451
194: ok 33452
194: ok 33453
194: ok 33454
194: ok 33455
194: ok 33456
194: ok 33457
194: ok 33458
194: ok 33459
194: ok 33460
194: ok 33461
194: ok 33462
194: ok 33463
194: ok 33464
194: ok 33465
194: ok 33466
194: ok 33467
194: ok 33468
194: ok 33469
194: ok 33470
194: ok 33471
194: ok 33472
194: ok 33473
194: ok 33474
194: ok 33475
194: ok 33476
194: ok 33477
194: ok 33478
194: ok 33479
194: ok 33480
194: ok 33481
194: ok 33482
194: ok 33483
194: ok 33484
194: ok 33485
194: ok 33486
194: ok 33487
194: ok 33488
194: ok 33489
194: ok 33490
194: ok 33491
194: ok 33492
194: ok 33493
194: ok 33494
194: ok 33495
194: ok 33496
194: ok 33497
194: ok 33498
194: ok 33499
194: ok 33500
194: ok 33501
194: ok 33502
194: ok 33503
194: ok 33504
194: ok 33505
194: ok 33506
194: ok 33507
194: ok 33508
194: ok 33509
194: ok 33510
194: ok 33511
194: ok 33512
194: ok 33513
194: ok 33514
194: ok 33515
194: ok 33516
194: ok 33517
194: ok 33518
194: ok 33519
194: ok 33520
194: ok 33521
194: ok 33522
194: ok 33523
194: ok 33524
194: ok 33525
194: ok 33526
194: ok 33527
194: ok 33528
194: ok 33529
194: ok 33530
194: ok 33531
194: ok 33532
194: ok 33533
194: ok 33534
194: ok 33535
194: ok 33536
194: ok 33537
194: ok 33538
194: ok 33539
194: ok 33540
194: ok 33541
194: ok 33542
194: ok 33543
194: ok 33544
194: ok 33545
194: ok 33546
194: ok 33547
194: ok 33548
194: ok 33549
194: ok 33550
194: ok 33551
194: ok 33552
194: ok 33553
194: ok 33554
194: ok 33555
194: ok 33556
194: ok 33557
194: ok 33558
194: ok 33559
194: ok 33560
194: ok 33561
194: ok 33562
194: ok 33563
194: ok 33564
194: ok 33565
194: ok 33566
194: ok 33567
194: ok 33568
194: ok 33569
194: ok 33570
194: ok 33571
194: ok 33572
194: ok 33573
194: ok 33574
194: ok 33575
194: ok 33576
194: ok 33577
194: ok 33578
194: ok 33579
194: ok 33580
194: ok 33581
194: ok 33582
194: ok 33583
194: ok 33584
194: ok 33585
194: ok 33586
194: ok 33587
194: ok 33588
194: ok 33589
194: ok 33590
194: ok 33591
194: ok 33592
194: ok 33593
194: ok 33594
194: ok 33595
194: ok 33596
194: ok 33597
194: ok 33598
194: ok 33599
194: ok 33600
194: ok 33601
194: ok 33602
194: ok 33603
194: ok 33604
194: ok 33605
194: ok 33606
194: ok 33607
194: ok 33608
194: ok 33609
194: ok 33610
194: ok 33611
194: ok 33612
194: ok 33613
194: ok 33614
194: ok 33615
194: ok 33616
194: ok 33617
194: ok 33618
194: ok 33619
194: ok 33620
194: ok 33621
194: ok 33622
194: ok 33623
194: ok 33624
194: ok 33625
194: ok 33626
194: ok 33627
194: ok 33628
194: ok 33629
194: ok 33630
194: ok 33631
194: ok 33632
194: ok 33633
194: ok 33634
194: ok 33635
194: ok 33636
194: ok 33637
194: ok 33638
194: ok 33639
194: ok 33640
194: ok 33641
194: ok 33642
194: ok 33643
194: ok 33644
194: ok 33645
194: ok 33646
194: ok 33647
194: ok 33648
194: ok 33649
194: ok 33650
194: ok 33651
194: ok 33652
194: ok 33653
194: ok 33654
194: ok 33655
194: ok 33656
194: ok 33657
194: ok 33658
194: ok 33659
194: ok 33660
194: ok 33661
194: ok 33662
194: ok 33663
194: ok 33664
194: ok 33665
194: ok 33666
194: ok 33667
194: ok 33668
194: ok 33669
194: ok 33670
194: ok 33671
194: ok 33672
194: ok 33673
194: ok 33674
194: ok 33675
194: ok 33676
194: ok 33677
194: ok 33678
194: ok 33679
194: ok 33680
194: ok 33681
194: ok 33682
194: ok 33683
194: ok 33684
194: ok 33685
194: ok 33686
194: ok 33687
194: ok 33688
194: ok 33689
194: ok 33690
194: ok 33691
194: ok 33692
194: ok 33693
194: ok 33694
194: ok 33695
194: ok 33696
194: ok 33697
194: ok 33698
194: ok 33699
194: ok 33700
194: ok 33701
194: ok 33702
194: ok 33703
194: ok 33704
194: ok 33705
194: ok 33706
194: ok 33707
194: ok 33708
194: ok 33709
194: ok 33710
194: ok 33711
194: ok 33712
194: ok 33713
194: ok 33714
194: ok 33715
194: ok 33716
194: ok 33717
194: ok 33718
194: ok 33719
194: ok 33720
194: ok 33721
194: ok 33722
194: ok 33723
194: ok 33724
194: ok 33725
194: ok 33726
194: ok 33727
194: ok 33728
194: ok 33729
194: ok 33730
194: ok 33731
194: ok 33732
194: ok 33733
194: ok 33734
194: ok 33735
194: ok 33736
194: ok 33737
194: ok 33738
194: ok 33739
194: ok 33740
194: ok 33741
194: ok 33742
194: ok 33743
194: ok 33744
194: ok 33745
194: ok 33746
194: ok 33747
194: ok 33748
194: ok 33749
194: ok 33750
194: ok 33751
194: ok 33752
194: ok 33753
194: ok 33754
194: ok 33755
194: ok 33756
194: ok 33757
194: ok 33758
194: ok 33759
194: ok 33760
194: ok 33761
194: ok 33762
194: ok 33763
194: ok 33764
194: ok 33765
194: ok 33766
194: ok 33767
194: ok 33768
194: ok 33769
194: ok 33770
194: ok 33771
194: ok 33772
194: ok 33773
194: ok 33774
194: ok 33775
194: ok 33776
194: ok 33777
194: ok 33778
194: ok 33779
194: ok 33780
194: ok 33781
194: ok 33782
194: ok 33783
194: ok 33784
194: ok 33785
194: ok 33786
194: ok 33787
194: ok 33788
194: ok 33789
194: ok 33790
194: ok 33791
194: ok 33792
194: ok 33793
194: ok 33794
194: ok 33795
194: ok 33796
194: ok 33797
194: ok 33798
194: ok 33799
194: ok 33800
194: ok 33801
194: ok 33802
194: ok 33803
194: ok 33804
194: ok 33805
194: ok 33806
194: ok 33807
194: ok 33808
194: ok 33809
194: ok 33810
194: ok 33811
194: ok 33812
194: ok 33813
194: ok 33814
194: ok 33815
194: ok 33816
194: ok 33817
194: ok 33818
194: ok 33819
194: ok 33820
194: ok 33821
194: ok 33822
194: ok 33823
194: ok 33824
194: ok 33825
194: ok 33826
194: ok 33827
194: ok 33828
194: ok 33829
194: ok 33830
194: ok 33831
194: ok 33832
194: ok 33833
194: ok 33834
194: ok 33835
194: ok 33836
194: ok 33837
194: ok 33838
194: ok 33839
194: ok 33840
194: ok 33841
194: ok 33842
194: ok 33843
194: ok 33844
194: ok 33845
194: ok 33846
194: ok 33847
194: ok 33848
194: ok 33849
194: ok 33850
194: ok 33851
194: ok 33852
194: ok 33853
194: ok 33854
194: ok 33855
194: ok 33856
194: ok 33857
194: ok 33858
194: ok 33859
194: ok 33860
194: ok 33861
194: ok 33862
194: ok 33863
194: ok 33864
194: ok 33865
194: ok 33866
194: ok 33867
194: ok 33868
194: ok 33869
194: ok 33870
194: ok 33871
194: ok 33872
194: ok 33873
194: ok 33874
194: ok 33875
194: ok 33876
194: ok 33877
194: ok 33878
194: ok 33879
194: ok 33880
194: ok 33881
194: ok 33882
194: ok 33883
194: ok 33884
194: ok 33885
194: ok 33886
194: ok 33887
194: ok 33888
194: ok 33889
194: ok 33890
194: ok 33891
194: ok 33892
194: ok 33893
194: ok 33894
194: ok 33895
194: ok 33896
194: ok 33897
194: ok 33898
194: ok 33899
194: ok 33900
194: ok 33901
194: ok 33902
194: ok 33903
194: ok 33904
194: ok 33905
194: ok 33906
194: ok 33907
194: ok 33908
194: ok 33909
194: ok 33910
194: ok 33911
194: ok 33912
194: ok 33913
194: ok 33914
194: ok 33915
194: ok 33916
194: ok 33917
194: ok 33918
194: ok 33919
194: ok 33920
194: ok 33921
194: ok 33922
194: ok 33923
194: ok 33924
194: ok 33925
194: ok 33926
194: ok 33927
194: ok 33928
194: ok 33929
194: ok 33930
194: ok 33931
194: ok 33932
194: ok 33933
194: ok 33934
194: ok 33935
194: ok 33936
194: ok 33937
194: ok 33938
194: ok 33939
194: ok 33940
194: ok 33941
194: ok 33942
194: ok 33943
194: ok 33944
194: ok 33945
194: ok 33946
194: ok 33947
194: ok 33948
194: ok 33949
194: ok 33950
194: ok 33951
194: ok 33952
194: ok 33953
194: ok 33954
194: ok 33955
194: ok 33956
194: ok 33957
194: ok 33958
194: ok 33959
194: ok 33960
194: ok 33961
194: ok 33962
194: ok 33963
194: ok 33964
194: ok 33965
194: ok 33966
194: ok 33967
194: ok 33968
194: ok 33969
194: ok 33970
194: ok 33971
194: ok 33972
194: ok 33973
194: ok 33974
194: ok 33975
194: ok 33976
194: ok 33977
194: ok 33978
194: ok 33979
194: ok 33980
194: ok 33981
194: ok 33982
194: ok 33983
194: ok 33984
194: ok 33985
194: ok 33986
194: ok 33987
194: ok 33988
194: ok 33989
194: ok 33990
194: ok 33991
194: ok 33992
194: ok 33993
194: ok 33994
194: ok 33995
194: ok 33996
194: ok 33997
194: ok 33998
194: ok 33999
194: ok 34000
194: ok 34001
194: ok 34002
194: ok 34003
194: ok 34004
194: ok 34005
194: ok 34006
194: ok 34007
194: ok 34008
194: ok 34009
194: ok 34010
194: ok 34011
194: ok 34012
194: ok 34013
194: ok 34014
194: ok 34015
194: ok 34016
194: ok 34017
194: ok 34018
194: ok 34019
194: ok 34020
194: ok 34021
194: ok 34022
194: ok 34023
194: ok 34024
194: ok 34025
194: ok 34026
194: ok 34027
194: ok 34028
194: ok 34029
194: ok 34030
194: ok 34031
194: ok 34032
194: ok 34033
194: ok 34034
194: ok 34035
194: ok 34036
194: ok 34037
194: ok 34038
194: ok 34039
194: ok 34040
194: ok 34041
194: ok 34042
194: ok 34043
194: ok 34044
194: ok 34045
194: ok 34046
194: ok 34047
194: ok 34048
194: ok 34049
194: ok 34050
194: ok 34051
194: ok 34052
194: ok 34053
194: ok 34054
194: ok 34055
194: ok 34056
194: ok 34057
194: ok 34058
194: ok 34059
194: ok 34060
194: ok 34061
194: ok 34062
194: ok 34063
194: ok 34064
194: ok 34065
194: ok 34066
194: ok 34067
194: ok 34068
194: ok 34069
194: ok 34070
194: ok 34071
194: ok 34072
194: ok 34073
194: ok 34074
194: ok 34075
194: ok 34076
194: ok 34077
194: ok 34078
194: ok 34079
194: ok 34080
194: ok 34081
194: ok 34082
194: ok 34083
194: ok 34084
194: ok 34085
194: ok 34086
194: ok 34087
194: ok 34088
194: ok 34089
194: ok 34090
194: ok 34091
194: ok 34092
194: ok 34093
194: ok 34094
194: ok 34095
194: ok 34096
194: ok 34097
194: ok 34098
194: ok 34099
194: ok 34100
194: ok 34101
194: ok 34102
194: ok 34103
194: ok 34104
194: ok 34105
194: ok 34106
194: ok 34107
194: ok 34108
194: ok 34109
194: ok 34110
194: ok 34111
194: ok 34112
194: ok 34113
194: ok 34114
194: ok 34115
194: ok 34116
194: ok 34117
194: ok 34118
194: ok 34119
194: ok 34120
194: ok 34121
194: ok 34122
194: ok 34123
194: ok 34124
194: ok 34125
194: ok 34126
194: ok 34127
194: ok 34128
194: ok 34129
194: ok 34130
194: ok 34131
194: ok 34132
194: ok 34133
194: ok 34134
194: ok 34135
194: ok 34136
194: ok 34137
194: ok 34138
194: ok 34139
194: ok 34140
194: ok 34141
194: ok 34142
194: ok 34143
194: ok 34144
194: ok 34145
194: ok 34146
194: ok 34147
194: ok 34148
194: ok 34149
194: ok 34150
194: ok 34151
194: ok 34152
194: ok 34153
194: ok 34154
194: ok 34155
194: ok 34156
194: ok 34157
194: ok 34158
194: ok 34159
194: ok 34160
194: ok 34161
194: ok 34162
194: ok 34163
194: ok 34164
194: ok 34165
194: ok 34166
194: ok 34167
194: ok 34168
194: ok 34169
194: ok 34170
194: ok 34171
194: ok 34172
194: ok 34173
194: ok 34174
194: ok 34175
194: ok 34176
194: ok 34177
194: ok 34178
194: ok 34179
194: ok 34180
194: ok 34181
194: ok 34182
194: ok 34183
194: ok 34184
194: ok 34185
194: ok 34186
194: ok 34187
194: ok 34188
194: ok 34189
194: ok 34190
194: ok 34191
194: ok 34192
194: ok 34193
194: ok 34194
194: ok 34195
194: ok 34196
194: ok 34197
194: ok 34198
194: ok 34199
194: ok 34200
194: ok 34201
194: ok 34202
194: ok 34203
194: ok 34204
194: ok 34205
194: ok 34206
194: ok 34207
194: ok 34208
194: ok 34209
194: ok 34210
194: ok 34211
194: ok 34212
194: ok 34213
194: ok 34214
194: ok 34215
194: ok 34216
194: ok 34217
194: ok 34218
194: ok 34219
194: ok 34220
194: ok 34221
194: ok 34222
194: ok 34223
194: ok 34224
194: ok 34225
194: ok 34226
194: ok 34227
194: ok 34228
194: ok 34229
194: ok 34230
194: ok 34231
194: ok 34232
194: ok 34233
194: ok 34234
194: ok 34235
194: ok 34236
194: ok 34237
194: ok 34238
194: ok 34239
194: ok 34240
194: ok 34241
194: ok 34242
194: ok 34243
194: ok 34244
194: ok 34245
194: ok 34246
194: ok 34247
194: ok 34248
194: ok 34249
194: ok 34250
194: ok 34251
194: ok 34252
194: ok 34253
194: ok 34254
194: ok 34255
194: ok 34256
194: ok 34257
194: ok 34258
194: ok 34259
194: ok 34260
194: ok 34261
194: ok 34262
194: ok 34263
194: ok 34264
194: ok 34265
194: ok 34266
194: ok 34267
194: ok 34268
194: ok 34269
194: ok 34270
194: ok 34271
194: ok 34272
194: ok 34273
194: ok 34274
194: ok 34275
194: ok 34276
194: ok 34277
194: ok 34278
194: ok 34279
194: ok 34280
194: ok 34281
194: ok 34282
194: ok 34283
194: ok 34284
194: ok 34285
194: ok 34286
194: ok 34287
194: ok 34288
194: ok 34289
194: ok 34290
194: ok 34291
194: ok 34292
194: ok 34293
194: ok 34294
194: ok 34295
194: ok 34296
194: ok 34297
194: ok 34298
194: ok 34299
194: ok 34300
194: ok 34301
194: ok 34302
194: ok 34303
194: ok 34304
194: ok 34305
194: ok 34306
194: ok 34307
194: ok 34308
194: ok 34309
194: ok 34310
194: ok 34311
194: ok 34312
194: ok 34313
194: ok 34314
194: ok 34315
194: ok 34316
194: ok 34317
194: ok 34318
194: ok 34319
194: ok 34320
194: ok 34321
194: ok 34322
194: ok 34323
194: ok 34324
194: ok 34325
194: ok 34326
194: ok 34327
194: ok 34328
194: ok 34329
194: ok 34330
194: ok 34331
194: ok 34332
194: ok 34333
194: ok 34334
194: ok 34335
194: ok 34336
194: ok 34337
194: ok 34338
194: ok 34339
194: ok 34340
194: ok 34341
194: ok 34342
194: ok 34343
194: ok 34344
194: ok 34345
194: ok 34346
194: ok 34347
194: ok 34348
194: ok 34349
194: ok 34350
194: ok 34351
194: ok 34352
194: ok 34353
194: ok 34354
194: ok 34355
194: ok 34356
194: ok 34357
194: ok 34358
194: ok 34359
194: ok 34360
194: ok 34361
194: ok 34362
194: ok 34363
194: ok 34364
194: ok 34365
194: ok 34366
194: ok 34367
194: ok 34368
194: ok 34369
194: ok 34370
194: ok 34371
194: ok 34372
194: ok 34373
194: ok 34374
194: ok 34375
194: ok 34376
194: ok 34377
194: ok 34378
194: ok 34379
194: ok 34380
194: ok 34381
194: ok 34382
194: ok 34383
194: ok 34384
194: ok 34385
194: ok 34386
194: ok 34387
194: ok 34388
194: ok 34389
194: ok 34390
194: ok 34391
194: ok 34392
194: ok 34393
194: ok 34394
194: ok 34395
194: ok 34396
194: ok 34397
194: ok 34398
194: ok 34399
194: ok 34400
194: ok 34401
194: ok 34402
194: ok 34403
194: ok 34404
194: ok 34405
194: ok 34406
194: ok 34407
194: ok 34408
194: ok 34409
194: ok 34410
194: ok 34411
194: ok 34412
194: ok 34413
194: ok 34414
194: ok 34415
194: ok 34416
194: ok 34417
194: ok 34418
194: ok 34419
194: ok 34420
194: ok 34421
194: ok 34422
194: ok 34423
194: ok 34424
194: ok 34425
194: ok 34426
194: ok 34427
194: ok 34428
194: ok 34429
194: ok 34430
194: ok 34431
194: ok 34432
194: ok 34433
194: ok 34434
194: ok 34435
194: ok 34436
194: ok 34437
194: ok 34438
194: ok 34439
194: ok 34440
194: ok 34441
194: ok 34442
194: ok 34443
194: ok 34444
194: ok 34445
194: ok 34446
194: ok 34447
194: ok 34448
194: ok 34449
194: ok 34450
194: ok 34451
194: ok 34452
194: ok 34453
194: ok 34454
194: ok 34455
194: ok 34456
194: ok 34457
194: ok 34458
194: ok 34459
194: ok 34460
194: ok 34461
194: ok 34462
194: ok 34463
194: ok 34464
194: ok 34465
194: ok 34466
194: ok 34467
194: ok 34468
194: ok 34469
194: ok 34470
194: ok 34471
194: ok 34472
194: ok 34473
194: ok 34474
194: ok 34475
194: ok 34476
194: ok 34477
194: ok 34478
194: ok 34479
194: ok 34480
194: ok 34481
194: ok 34482
194: ok 34483
194: ok 34484
194: ok 34485
194: ok 34486
194: ok 34487
194: ok 34488
194: ok 34489
194: ok 34490
194: ok 34491
194: ok 34492
194: ok 34493
194: ok 34494
194: ok 34495
194: ok 34496
194: ok 34497
194: ok 34498
194: ok 34499
194: ok 34500
194: ok 34501
194: ok 34502
194: ok 34503
194: ok 34504
194: ok 34505
194: ok 34506
194: ok 34507
194: ok 34508
194: ok 34509
194: ok 34510
194: ok 34511
194: ok 34512
194: ok 34513
194: ok 34514
194: ok 34515
194: ok 34516
194: ok 34517
194: ok 34518
194: ok 34519
194: ok 34520
194: ok 34521
194: ok 34522
194: ok 34523
194: ok 34524
194: ok 34525
194: ok 34526
194: ok 34527
194: ok 34528
194: ok 34529
194: ok 34530
194: ok 34531
194: ok 34532
194: ok 34533
194: ok 34534
194: ok 34535
194: ok 34536
194: ok 34537
194: ok 34538
194: ok 34539
194: ok 34540
194: ok 34541
194: ok 34542
194: ok 34543
194: ok 34544
194: ok 34545
194: ok 34546
194: ok 34547
194: ok 34548
194: ok 34549
194: ok 34550
194: ok 34551
194: ok 34552
194: ok 34553
194: ok 34554
194: ok 34555
194: ok 34556
194: ok 34557
194: ok 34558
194: ok 34559
194: ok 34560
194: ok 34561
194: ok 34562
194: ok 34563
194: ok 34564
194: ok 34565
194: ok 34566
194: ok 34567
194: ok 34568
194: ok 34569
194: ok 34570
194: ok 34571
194: ok 34572
194: ok 34573
194: ok 34574
194: ok 34575
194: ok 34576
194: ok 34577
194: ok 34578
194: ok 34579
194: ok 34580
194: ok 34581
194: ok 34582
194: ok 34583
194: ok 34584
194: ok 34585
194: ok 34586
194: ok 34587
194: ok 34588
194: ok 34589
194: ok 34590
194: ok 34591
194: ok 34592
194: ok 34593
194: ok 34594
194: ok 34595
194: ok 34596
194: ok 34597
194: ok 34598
194: ok 34599
194: ok 34600
194: ok 34601
194: ok 34602
194: ok 34603
194: ok 34604
194: ok 34605
194: ok 34606
194: ok 34607
194: ok 34608
194: ok 34609
194: ok 34610
194: ok 34611
194: ok 34612
194: ok 34613
194: ok 34614
194: ok 34615
194: ok 34616
194: ok 34617
194: ok 34618
194: ok 34619
194: ok 34620
194: ok 34621
194: ok 34622
194: ok 34623
194: ok 34624
194: ok 34625
194: ok 34626
194: ok 34627
194: ok 34628
194: ok 34629
194: ok 34630
194: ok 34631
194: ok 34632
194: ok 34633
194: ok 34634
194: ok 34635
194: ok 34636
194: ok 34637
194: ok 34638
194: ok 34639
194: ok 34640
194: ok 34641
194: ok 34642
194: ok 34643
194: ok 34644
194: ok 34645
194: ok 34646
194: ok 34647
194: ok 34648
194: ok 34649
194: ok 34650
194: ok 34651
194: ok 34652
194: ok 34653
194: ok 34654
194: ok 34655
194: ok 34656
194: ok 34657
194: ok 34658
194: ok 34659
194: ok 34660
194: ok 34661
194: ok 34662
194: ok 34663
194: ok 34664
194: ok 34665
194: ok 34666
194: ok 34667
194: ok 34668
194: ok 34669
194: ok 34670
194: ok 34671
194: ok 34672
194: ok 34673
194: ok 34674
194: ok 34675
194: ok 34676
194: ok 34677
194: ok 34678
194: ok 34679
194: ok 34680
194: ok 34681
194: ok 34682
194: ok 34683
194: ok 34684
194: ok 34685
194: ok 34686
194: ok 34687
194: ok 34688
194: ok 34689
194: ok 34690
194: ok 34691
194: ok 34692
194: ok 34693
194: ok 34694
194: ok 34695
194: ok 34696
194: ok 34697
194: ok 34698
194: ok 34699
194: ok 34700
194: ok 34701
194: ok 34702
194: ok 34703
194: ok 34704
194: ok 34705
194: ok 34706
194: ok 34707
194: ok 34708
194: ok 34709
194: ok 34710
194: ok 34711
194: ok 34712
194: ok 34713
194: ok 34714
194: ok 34715
194: ok 34716
194: ok 34717
194: ok 34718
194: ok 34719
194: ok 34720
194: ok 34721
194: ok 34722
194: ok 34723
194: ok 34724
194: ok 34725
194: ok 34726
194: ok 34727
194: ok 34728
194: ok 34729
194: ok 34730
194: ok 34731
194: ok 34732
194: ok 34733
194: ok 34734
194: ok 34735
194: ok 34736
194: ok 34737
194: ok 34738
194: ok 34739
194: ok 34740
194: ok 34741
194: ok 34742
194: ok 34743
194: ok 34744
194: ok 34745
194: ok 34746
194: ok 34747
194: ok 34748
194: ok 34749
194: ok 34750
194: ok 34751
194: ok 34752
194: ok 34753
194: ok 34754
194: ok 34755
194: ok 34756
194: ok 34757
194: ok 34758
194: ok 34759
194: ok 34760
194: ok 34761
194: ok 34762
194: ok 34763
194: ok 34764
194: ok 34765
194: ok 34766
194: ok 34767
194: ok 34768
194: ok 34769
194: ok 34770
194: ok 34771
194: ok 34772
194: ok 34773
194: ok 34774
194: ok 34775
194: ok 34776
194: ok 34777
194: ok 34778
194: ok 34779
194: ok 34780
194: ok 34781
194: ok 34782
194: ok 34783
194: ok 34784
194: ok 34785
194: ok 34786
194: ok 34787
194: ok 34788
194: ok 34789
194: ok 34790
194: ok 34791
194: ok 34792
194: ok 34793
194: ok 34794
194: ok 34795
194: ok 34796
194: ok 34797
194: ok 34798
194: ok 34799
194: ok 34800
194: ok 34801
194: ok 34802
194: ok 34803
194: ok 34804
194: ok 34805
194: ok 34806
194: ok 34807
194: ok 34808
194: ok 34809
194: ok 34810
194: ok 34811
194: ok 34812
194: ok 34813
194: ok 34814
194: ok 34815
194: ok 34816
194: ok 34817
194: ok 34818
194: ok 34819
194: ok 34820
194: ok 34821
194: ok 34822
194: ok 34823
194: ok 34824
194: ok 34825
194: ok 34826
194: ok 34827
194: ok 34828
194: ok 34829
194: ok 34830
194: ok 34831
194: ok 34832
194: ok 34833
194: ok 34834
194: ok 34835
194: ok 34836
194: ok 34837
194: ok 34838
194: ok 34839
194: ok 34840
194: ok 34841
194: ok 34842
194: ok 34843
194: ok 34844
194: ok 34845
194: ok 34846
194: ok 34847
194: ok 34848
194: ok 34849
194: ok 34850
194: ok 34851
194: ok 34852
194: ok 34853
194: ok 34854
194: ok 34855
194: ok 34856
194: ok 34857
194: ok 34858
194: ok 34859
194: ok 34860
194: ok 34861
194: ok 34862
194: ok 34863
194: ok 34864
194: ok 34865
194: ok 34866
194: ok 34867
194: ok 34868
194: ok 34869
194: ok 34870
194: ok 34871
194: ok 34872
194: ok 34873
194: ok 34874
194: ok 34875
194: ok 34876
194: ok 34877
194: ok 34878
194: ok 34879
194: ok 34880
194: ok 34881
194: ok 34882
194: ok 34883
194: ok 34884
194: ok 34885
194: ok 34886
194: ok 34887
194: ok 34888
194: ok 34889
194: ok 34890
194: ok 34891
194: ok 34892
194: ok 34893
194: ok 34894
194: ok 34895
194: ok 34896
194: ok 34897
194: ok 34898
194: ok 34899
194: ok 34900
194: ok 34901
194: ok 34902
194: ok 34903
194: ok 34904
194: ok 34905
194: ok 34906
194: ok 34907
194: ok 34908
194: ok 34909
194: ok 34910
194: ok 34911
194: ok 34912
194: ok 34913
194: ok 34914
194: ok 34915
194: ok 34916
194: ok 34917
194: ok 34918
194: ok 34919
194: ok 34920
194: ok 34921
194: ok 34922
194: ok 34923
194: ok 34924
194: ok 34925
194: ok 34926
194: ok 34927
194: ok 34928
194: ok 34929
194: ok 34930
194: ok 34931
194: ok 34932
194: ok 34933
194: ok 34934
194: ok 34935
194: ok 34936
194: ok 34937
194: ok 34938
194: ok 34939
194: ok 34940
194: ok 34941
194: ok 34942
194: ok 34943
194: ok 34944
194: ok 34945
194: ok 34946
194: ok 34947
194: ok 34948
194: ok 34949
194: ok 34950
194: ok 34951
194: ok 34952
194: ok 34953
194: ok 34954
194: ok 34955
194: ok 34956
194: ok 34957
194: ok 34958
194: ok 34959
194: ok 34960
194: ok 34961
194: ok 34962
194: ok 34963
194: ok 34964
194: ok 34965
194: ok 34966
194: ok 34967
194: ok 34968
194: ok 34969
194: ok 34970
194: ok 34971
194: ok 34972
194: ok 34973
194: ok 34974
194: ok 34975
194: ok 34976
194: ok 34977
194: ok 34978
194: ok 34979
194: ok 34980
194: ok 34981
194: ok 34982
194: ok 34983
194: ok 34984
194: ok 34985
194: ok 34986
194: ok 34987
194: ok 34988
194: ok 34989
194: ok 34990
194: ok 34991
194: ok 34992
194: ok 34993
194: ok 34994
194: ok 34995
194: ok 34996
194: ok 34997
194: ok 34998
194: ok 34999
194: ok 35000
194: ok 35001
194: ok 35002
194: ok 35003
194: ok 35004
194: ok 35005
194: ok 35006
194: ok 35007
194: ok 35008
194: ok 35009
194: ok 35010
194: ok 35011
194: ok 35012
194: ok 35013
194: ok 35014
194: ok 35015
194: ok 35016
194: ok 35017
194: ok 35018
194: ok 35019
194: ok 35020
194: ok 35021
194: ok 35022
194: ok 35023
194: ok 35024
194: ok 35025
194: ok 35026
194: ok 35027
194: ok 35028
194: ok 35029
194: ok 35030
194: ok 35031
194: ok 35032
194: ok 35033
194: ok 35034
194: ok 35035
194: ok 35036
194: ok 35037
194: ok 35038
194: ok 35039
194: ok 35040
194: ok 35041
194: ok 35042
194: ok 35043
194: ok 35044
194: ok 35045
194: ok 35046
194: ok 35047
194: ok 35048
194: ok 35049
194: ok 35050
194: ok 35051
194: ok 35052
194: ok 35053
194: ok 35054
194: ok 35055
194: ok 35056
194: ok 35057
194: ok 35058
194: ok 35059
194: ok 35060
194: ok 35061
194: ok 35062
194: ok 35063
194: ok 35064
194: ok 35065
194: ok 35066
194: ok 35067
194: ok 35068
194: ok 35069
194: ok 35070
194: ok 35071
194: ok 35072
194: ok 35073
194: ok 35074
194: ok 35075
194: ok 35076
194: ok 35077
194: ok 35078
194: ok 35079
194: ok 35080
194: ok 35081
194: ok 35082
194: ok 35083
194: ok 35084
194: ok 35085
194: ok 35086
194: ok 35087
194: ok 35088
194: ok 35089
194: ok 35090
194: ok 35091
194: ok 35092
194: ok 35093
194: ok 35094
194: ok 35095
194: ok 35096
194: ok 35097
194: ok 35098
194: ok 35099
194: ok 35100
194: ok 35101
194: ok 35102
194: ok 35103
194: ok 35104
194: ok 35105
194: ok 35106
194: ok 35107
194: ok 35108
194: ok 35109
194: ok 35110
194: ok 35111
194: ok 35112
194: ok 35113
194: ok 35114
194: ok 35115
194: ok 35116
194: ok 35117
194: ok 35118
194: ok 35119
194: ok 35120
194: ok 35121
194: ok 35122
194: ok 35123
194: ok 35124
194: ok 35125
194: ok 35126
194: ok 35127
194: ok 35128
194: ok 35129
194: ok 35130
194: ok 35131
194: ok 35132
194: ok 35133
194: ok 35134
194: ok 35135
194: ok 35136
194: ok 35137
194: ok 35138
194: ok 35139
194: ok 35140
194: ok 35141
194: ok 35142
194: ok 35143
194: ok 35144
194: ok 35145
194: ok 35146
194: ok 35147
194: ok 35148
194: ok 35149
194: ok 35150
194: ok 35151
194: ok 35152
194: ok 35153
194: ok 35154
194: ok 35155
194: ok 35156
194: ok 35157
194: ok 35158
194: ok 35159
194: ok 35160
194: ok 35161
194: ok 35162
194: ok 35163
194: ok 35164
194: ok 35165
194: ok 35166
194: ok 35167
194: ok 35168
194: ok 35169
194: ok 35170
194: ok 35171
194: ok 35172
194: ok 35173
194: ok 35174
194: ok 35175
194: ok 35176
194: ok 35177
194: ok 35178
194: ok 35179
194: ok 35180
194: ok 35181
194: ok 35182
194: ok 35183
194: ok 35184
194: ok 35185
194: ok 35186
194: ok 35187
194: ok 35188
194: ok 35189
194: ok 35190
194: ok 35191
194: ok 35192
194: ok 35193
194: ok 35194
194: ok 35195
194: ok 35196
194: ok 35197
194: ok 35198
194: ok 35199
194: ok 35200
194: ok 35201
194: ok 35202
194: ok 35203
194: ok 35204
194: ok 35205
194: ok 35206
194: ok 35207
194: ok 35208
194: ok 35209
194: ok 35210
194: ok 35211
194: ok 35212
194: ok 35213
194: ok 35214
194: ok 35215
194: ok 35216
194: ok 35217
194: ok 35218
194: ok 35219
194: ok 35220
194: ok 35221
194: ok 35222
194: ok 35223
194: ok 35224
194: ok 35225
194: ok 35226
194: ok 35227
194: ok 35228
194: ok 35229
194: ok 35230
194: ok 35231
194: ok 35232
194: ok 35233
194: ok 35234
194: ok 35235
194: ok 35236
194: ok 35237
194: ok 35238
194: ok 35239
194: ok 35240
194: ok 35241
194: ok 35242
194: ok 35243
194: ok 35244
194: ok 35245
194: ok 35246
194: ok 35247
194: ok 35248
194: ok 35249
194: ok 35250
194: ok 35251
194: ok 35252
194: ok 35253
194: ok 35254
194: ok 35255
194: ok 35256
194: ok 35257
194: ok 35258
194: ok 35259
194: ok 35260
194: ok 35261
194: ok 35262
194: ok 35263
194: ok 35264
194: ok 35265
194: ok 35266
194: ok 35267
194: ok 35268
194: ok 35269
194: ok 35270
194: ok 35271
194: ok 35272
194: ok 35273
194: ok 35274
194: ok 35275
194: ok 35276
194: ok 35277
194: ok 35278
194: ok 35279
194: ok 35280
194: ok 35281
194: ok 35282
194: ok 35283
194: ok 35284
194: ok 35285
194: ok 35286
194: ok 35287
194: ok 35288
194: ok 35289
194: ok 35290
194: ok 35291
194: ok 35292
194: ok 35293
194: ok 35294
194: ok 35295
194: ok 35296
194: ok 35297
194: ok 35298
194: ok 35299
194: ok 35300
194: ok 35301
194: ok 35302
194: ok 35303
194: ok 35304
194: ok 35305
194: ok 35306
194: ok 35307
194: ok 35308
194: ok 35309
194: ok 35310
194: ok 35311
194: ok 35312
194: ok 35313
194: ok 35314
194: ok 35315
194: ok 35316
194: ok 35317
194: ok 35318
194: ok 35319
194: ok 35320
194: ok 35321
194: ok 35322
194: ok 35323
194: ok 35324
194: ok 35325
194: ok 35326
194: ok 35327
194: ok 35328
194: ok 35329
194: ok 35330
194: ok 35331
194: ok 35332
194: ok 35333
194: ok 35334
194: ok 35335
194: ok 35336
194: ok 35337
194: ok 35338
194: ok 35339
194: ok 35340
194: ok 35341
194: ok 35342
194: ok 35343
194: ok 35344
194: ok 35345
194: ok 35346
194: ok 35347
194: ok 35348
194: ok 35349
194: ok 35350
194: ok 35351
194: ok 35352
194: ok 35353
194: ok 35354
194: ok 35355
194: ok 35356
194: ok 35357
194: ok 35358
194: ok 35359
194: ok 35360
194: ok 35361
194: ok 35362
194: ok 35363
194: ok 35364
194: ok 35365
194: ok 35366
194: ok 35367
194: ok 35368
194: ok 35369
194: ok 35370
194: ok 35371
194: ok 35372
194: ok 35373
194: ok 35374
194: ok 35375
194: ok 35376
194: ok 35377
194: ok 35378
194: ok 35379
194: ok 35380
194: ok 35381
194: ok 35382
194: ok 35383
194: ok 35384
194: ok 35385
194: ok 35386
194: ok 35387
194: ok 35388
194: ok 35389
194: ok 35390
194: ok 35391
194: ok 35392
194: ok 35393
194: ok 35394
194: ok 35395
194: ok 35396
194: ok 35397
194: ok 35398
194: ok 35399
194: ok 35400
194: ok 35401
194: ok 35402
194: ok 35403
194: ok 35404
194: ok 35405
194: ok 35406
194: ok 35407
194: ok 35408
194: ok 35409
194: ok 35410
194: ok 35411
194: ok 35412
194: ok 35413
194: ok 35414
194: ok 35415
194: ok 35416
194: ok 35417
194: ok 35418
194: ok 35419
194: ok 35420
194: ok 35421
194: ok 35422
194: ok 35423
194: ok 35424
194: ok 35425
194: ok 35426
194: ok 35427
194: ok 35428
194: ok 35429
194: ok 35430
194: ok 35431
194: ok 35432
194: ok 35433
194: ok 35434
194: ok 35435
194: ok 35436
194: ok 35437
194: ok 35438
194: ok 35439
194: ok 35440
194: ok 35441
194: ok 35442
194: ok 35443
194: ok 35444
194: ok 35445
194: ok 35446
194: ok 35447
194: ok 35448
194: ok 35449
194: ok 35450
194: ok 35451
194: ok 35452
194: ok 35453
194: ok 35454
194: ok 35455
194: ok 35456
194: ok 35457
194: ok 35458
194: ok 35459
194: ok 35460
194: ok 35461
194: ok 35462
194: ok 35463
194: ok 35464
194: ok 35465
194: ok 35466
194: ok 35467
194: ok 35468
194: ok 35469
194: ok 35470
194: ok 35471
194: ok 35472
194: ok 35473
194: ok 35474
194: ok 35475
194: ok 35476
194: ok 35477
194: ok 35478
194: ok 35479
194: ok 35480
194: ok 35481
194: ok 35482
194: ok 35483
194: ok 35484
194: ok 35485
194: ok 35486
194: ok 35487
194: ok 35488
194: ok 35489
194: ok 35490
194: ok 35491
194: ok 35492
194: ok 35493
194: ok 35494
194: ok 35495
194: ok 35496
194: ok 35497
194: ok 35498
194: ok 35499
194: ok 35500
194: ok 35501
194: ok 35502
194: ok 35503
194: ok 35504
194: ok 35505
194: ok 35506
194: ok 35507
194: ok 35508
194: ok 35509
194: ok 35510
194: ok 35511
194: ok 35512
194: ok 35513
194: ok 35514
194: ok 35515
194: ok 35516
194: ok 35517
194: ok 35518
194: ok 35519
194: ok 35520
194: ok 35521
194: ok 35522
194: ok 35523
194: ok 35524
194: ok 35525
194: ok 35526
194: ok 35527
194: ok 35528
194: ok 35529
194: ok 35530
194: ok 35531
194: ok 35532
194: ok 35533
194: ok 35534
194: ok 35535
194: ok 35536
194: ok 35537
194: ok 35538
194: ok 35539
194: ok 35540
194: ok 35541
194: ok 35542
194: ok 35543
194: ok 35544
194: ok 35545
194: ok 35546
194: ok 35547
194: ok 35548
194: ok 35549
194: ok 35550
194: ok 35551
194: ok 35552
194: ok 35553
194: ok 35554
194: ok 35555
194: ok 35556
194: ok 35557
194: ok 35558
194: ok 35559
194: ok 35560
194: ok 35561
194: ok 35562
194: ok 35563
194: ok 35564
194: ok 35565
194: ok 35566
194: ok 35567
194: ok 35568
194: ok 35569
194: ok 35570
194: ok 35571
194: ok 35572
194: ok 35573
194: ok 35574
194: ok 35575
194: ok 35576
194: ok 35577
194: ok 35578
194: ok 35579
194: ok 35580
194: ok 35581
194: ok 35582
194: ok 35583
194: ok 35584
194: ok 35585
194: ok 35586
194: ok 35587
194: ok 35588
194: ok 35589
194: ok 35590
194: ok 35591
194: ok 35592
194: ok 35593
194: ok 35594
194: ok 35595
194: ok 35596
194: ok 35597
194: ok 35598
194: ok 35599
194: ok 35600
194: ok 35601
194: ok 35602
194: ok 35603
194: ok 35604
194: ok 35605
194: ok 35606
194: ok 35607
194: ok 35608
194: ok 35609
194: ok 35610
194: ok 35611
194: ok 35612
194: ok 35613
194: ok 35614
194: ok 35615
194: ok 35616
194: ok 35617
194: ok 35618
194: ok 35619
194: ok 35620
194: ok 35621
194: ok 35622
194: ok 35623
194: ok 35624
194: ok 35625
194: ok 35626
194: ok 35627
194: ok 35628
194: ok 35629
194: ok 35630
194: ok 35631
194: ok 35632
194: ok 35633
194: ok 35634
194: ok 35635
194: ok 35636
194: ok 35637
194: ok 35638
194: ok 35639
194: ok 35640
194: ok 35641
194: ok 35642
194: ok 35643
194: ok 35644
194: ok 35645
194: ok 35646
194: ok 35647
194: ok 35648
194: ok 35649
194: ok 35650
194: ok 35651
194: ok 35652
194: ok 35653
194: ok 35654
194: ok 35655
194: ok 35656
194: ok 35657
194: ok 35658
194: ok 35659
194: ok 35660
194: ok 35661
194: ok 35662
194: ok 35663
194: ok 35664
194: ok 35665
194: ok 35666
194: ok 35667
194: ok 35668
194: ok 35669
194: ok 35670
194: ok 35671
194: ok 35672
194: ok 35673
194: ok 35674
194: ok 35675
194: ok 35676
194: ok 35677
194: ok 35678
194: ok 35679
194: ok 35680
194: ok 35681
194: ok 35682
194: ok 35683
194: ok 35684
194: ok 35685
194: ok 35686
194: ok 35687
194: ok 35688
194: ok 35689
194: ok 35690
194: ok 35691
194: ok 35692
194: ok 35693
194: ok 35694
194: ok 35695
194: ok 35696
194: ok 35697
194: ok 35698
194: ok 35699
194: ok 35700
194: ok 35701
194: ok 35702
194: ok 35703
194: ok 35704
194: ok 35705
194: ok 35706
194: ok 35707
194: ok 35708
194: ok 35709
194: ok 35710
194: ok 35711
194: ok 35712
194: ok 35713
194: ok 35714
194: ok 35715
194: ok 35716
194: ok 35717
194: ok 35718
194: ok 35719
194: ok 35720
194: ok 35721
194: ok 35722
194: ok 35723
194: ok 35724
194: ok 35725
194: ok 35726
194: ok 35727
194: ok 35728
194: ok 35729
194: ok 35730
194: ok 35731
194: ok 35732
194: ok 35733
194: ok 35734
194: ok 35735
194: ok 35736
194: ok 35737
194: ok 35738
194: ok 35739
194: ok 35740
194: ok 35741
194: ok 35742
194: ok 35743
194: ok 35744
194: ok 35745
194: ok 35746
194: ok 35747
194: ok 35748
194: ok 35749
194: ok 35750
194: ok 35751
194: ok 35752
194: ok 35753
194: ok 35754
194: ok 35755
194: ok 35756
194: ok 35757
194: ok 35758
194: ok 35759
194: ok 35760
194: ok 35761
194: ok 35762
194: ok 35763
194: ok 35764
194: ok 35765
194: ok 35766
194: ok 35767
194: ok 35768
194: ok 35769
194: ok 35770
194: ok 35771
194: ok 35772
194: ok 35773
194: ok 35774
194: ok 35775
194: ok 35776
194: ok 35777
194: ok 35778
194: ok 35779
194: ok 35780
194: ok 35781
194: ok 35782
194: ok 35783
194: ok 35784
194: ok 35785
194: ok 35786
194: ok 35787
194: ok 35788
194: ok 35789
194: ok 35790
194: ok 35791
194: ok 35792
194: ok 35793
194: ok 35794
194: ok 35795
194: ok 35796
194: ok 35797
194: ok 35798
194: ok 35799
194: ok 35800
194: ok 35801
194: ok 35802
194: ok 35803
194: ok 35804
194: ok 35805
194: ok 35806
194: ok 35807
194: ok 35808
194: ok 35809
194: ok 35810
194: ok 35811
194: ok 35812
194: ok 35813
194: ok 35814
194: ok 35815
194: ok 35816
194: ok 35817
194: ok 35818
194: ok 35819
194: ok 35820
194: ok 35821
194: ok 35822
194: ok 35823
194: ok 35824
194: ok 35825
194: ok 35826
194: ok 35827
194: ok 35828
194: ok 35829
194: ok 35830
194: ok 35831
194: ok 35832
194: ok 35833
194: ok 35834
194: ok 35835
194: ok 35836
194: ok 35837
194: ok 35838
194: ok 35839
194: ok 35840
194: ok 35841
194: ok 35842
194: ok 35843
194: ok 35844
194: ok 35845
194: ok 35846
194: ok 35847
194: ok 35848
194: ok 35849
194: ok 35850
194: ok 35851
194: ok 35852
194: ok 35853
194: ok 35854
194: ok 35855
194: ok 35856
194: ok 35857
194: ok 35858
194: ok 35859
194: ok 35860
194: ok 35861
194: ok 35862
194: ok 35863
194: ok 35864
194: ok 35865
194: ok 35866
194: ok 35867
194: ok 35868
194: ok 35869
194: ok 35870
194: ok 35871
194: ok 35872
194: ok 35873
194: ok 35874
194: ok 35875
194: ok 35876
194: ok 35877
194: ok 35878
194: ok 35879
194: ok 35880
194: ok 35881
194: ok 35882
194: ok 35883
194: ok 35884
194: ok 35885
194: ok 35886
194: ok 35887
194: ok 35888
194: ok 35889
194: ok 35890
194: ok 35891
194: ok 35892
194: ok 35893
194: ok 35894
194: ok 35895
194: ok 35896
194: ok 35897
194: ok 35898
194: ok 35899
194: ok 35900
194: ok 35901
194: ok 35902
194: ok 35903
194: ok 35904
194: ok 35905
194: ok 35906
194: ok 35907
194: ok 35908
194: ok 35909
194: ok 35910
194: ok 35911
194: ok 35912
194: ok 35913
194: ok 35914
194: ok 35915
194: ok 35916
194: ok 35917
194: ok 35918
194: ok 35919
194: ok 35920
194: ok 35921
194: ok 35922
194: ok 35923
194: ok 35924
194: ok 35925
194: ok 35926
194: ok 35927
194: ok 35928
194: ok 35929
194: ok 35930
194: ok 35931
194: ok 35932
194: ok 35933
194: ok 35934
194: ok 35935
194: ok 35936
194: ok 35937
194: ok 35938
194: ok 35939
194: ok 35940
194: ok 35941
194: ok 35942
194: ok 35943
194: ok 35944
194: ok 35945
194: ok 35946
194: ok 35947
194: ok 35948
194: ok 35949
194: ok 35950
194: ok 35951
194: ok 35952
194: ok 35953
194: ok 35954
194: ok 35955
194: ok 35956
194: ok 35957
194: ok 35958
194: ok 35959
194: ok 35960
194: ok 35961
194: ok 35962
194: ok 35963
194: ok 35964
194: ok 35965
194: ok 35966
194: ok 35967
194: ok 35968
194: ok 35969
194: ok 35970
194: ok 35971
194: ok 35972
194: ok 35973
194: ok 35974
194: ok 35975
194: ok 35976
194: ok 35977
194: ok 35978
194: ok 35979
194: ok 35980
194: ok 35981
194: ok 35982
194: ok 35983
194: ok 35984
194: ok 35985
194: ok 35986
194: ok 35987
194: ok 35988
194: ok 35989
194: ok 35990
194: ok 35991
194: ok 35992
194: ok 35993
194: ok 35994
194: ok 35995
194: ok 35996
194: ok 35997
194: ok 35998
194: ok 35999
194: ok 36000
194: ok 36001
194: ok 36002
194: ok 36003
194: ok 36004
194: ok 36005
194: ok 36006
194: ok 36007
194: ok 36008
194: ok 36009
194: ok 36010
194: ok 36011
194: ok 36012
194: ok 36013
194: ok 36014
194: ok 36015
194: ok 36016
194: ok 36017
194: ok 36018
194: ok 36019
194: ok 36020
194: ok 36021
194: ok 36022
194: ok 36023
194: ok 36024
194: ok 36025
194: ok 36026
194: ok 36027
194: ok 36028
194: ok 36029
194: ok 36030
194: ok 36031
194: ok 36032
194: ok 36033
194: ok 36034
194: ok 36035
194: ok 36036
194: ok 36037
194: ok 36038
194: ok 36039
194: ok 36040
194: ok 36041
194: ok 36042
194: ok 36043
194: ok 36044
194: ok 36045
194: ok 36046
194: ok 36047
194: ok 36048
194: ok 36049
194: ok 36050
194: ok 36051
194: ok 36052
194: ok 36053
194: ok 36054
194: ok 36055
194: ok 36056
194: ok 36057
194: ok 36058
194: ok 36059
194: ok 36060
194: ok 36061
194: ok 36062
194: ok 36063
194: ok 36064
194: ok 36065
194: ok 36066
194: ok 36067
194: ok 36068
194: ok 36069
194: ok 36070
194: ok 36071
194: ok 36072
194: ok 36073
194: ok 36074
194: ok 36075
194: ok 36076
194: ok 36077
194: ok 36078
194: ok 36079
194: ok 36080
194: ok 36081
194: ok 36082
194: ok 36083
194: ok 36084
194: ok 36085
194: ok 36086
194: ok 36087
194: ok 36088
194: ok 36089
194: ok 36090
194: ok 36091
194: ok 36092
194: ok 36093
194: ok 36094
194: ok 36095
194: ok 36096
194: ok 36097
194: ok 36098
194: ok 36099
194: ok 36100
194: ok 36101
194: ok 36102
194: ok 36103
194: ok 36104
194: ok 36105
194: ok 36106
194: ok 36107
194: ok 36108
194: ok 36109
194: ok 36110
194: ok 36111
194: ok 36112
194: ok 36113
194: ok 36114
194: ok 36115
194: ok 36116
194: ok 36117
194: ok 36118
194: ok 36119
194: ok 36120
194: ok 36121
194: ok 36122
194: ok 36123
194: ok 36124
194: ok 36125
194: ok 36126
194: ok 36127
194: ok 36128
194: ok 36129
194: ok 36130
194: ok 36131
194: ok 36132
194: ok 36133
194: ok 36134
194: ok 36135
194: ok 36136
194: ok 36137
194: ok 36138
194: ok 36139
194: ok 36140
194: ok 36141
194: ok 36142
194: ok 36143
194: ok 36144
194: ok 36145
194: ok 36146
194: ok 36147
194: ok 36148
194: ok 36149
194: ok 36150
194: ok 36151
194: ok 36152
194: ok 36153
194: ok 36154
194: ok 36155
194: ok 36156
194: ok 36157
194: ok 36158
194: ok 36159
194: ok 36160
194: ok 36161
194: ok 36162
194: ok 36163
194: ok 36164
194: ok 36165
194: ok 36166
194: ok 36167
194: ok 36168
194: ok 36169
194: ok 36170
194: ok 36171
194: ok 36172
194: ok 36173
194: ok 36174
194: ok 36175
194: ok 36176
194: ok 36177
194: ok 36178
194: ok 36179
194: ok 36180
194: ok 36181
194: ok 36182
194: ok 36183
194: ok 36184
194: ok 36185
194: ok 36186
194: ok 36187
194: ok 36188
194: ok 36189
194: ok 36190
194: ok 36191
194: ok 36192
194: ok 36193
194: ok 36194
194: ok 36195
194: ok 36196
194: ok 36197
194: ok 36198
194: ok 36199
194: ok 36200
194: ok 36201
194: ok 36202
194: ok 36203
194: ok 36204
194: ok 36205
194: ok 36206
194: ok 36207
194: ok 36208
194: ok 36209
194: ok 36210
194: ok 36211
194: ok 36212
194: ok 36213
194: ok 36214
194: ok 36215
194: ok 36216
194: ok 36217
194: ok 36218
194: ok 36219
194: ok 36220
194: ok 36221
194: ok 36222
194: ok 36223
194: ok 36224
194: ok 36225
194: ok 36226
194: ok 36227
194: ok 36228
194: ok 36229
194: ok 36230
194: ok 36231
194: ok 36232
194: ok 36233
194: ok 36234
194: ok 36235
194: ok 36236
194: ok 36237
194: ok 36238
194: ok 36239
194: ok 36240
194: ok 36241
194: ok 36242
194: ok 36243
194: ok 36244
194: ok 36245
194: ok 36246
194: ok 36247
194: ok 36248
194: ok 36249
194: ok 36250
194: ok 36251
194: ok 36252
194: ok 36253
194: ok 36254
194: ok 36255
194: ok 36256
194: ok 36257
194: ok 36258
194: ok 36259
194: ok 36260
194: ok 36261
194: ok 36262
194: ok 36263
194: ok 36264
194: ok 36265
194: ok 36266
194: ok 36267
194: ok 36268
194: ok 36269
194: ok 36270
194: ok 36271
194: ok 36272
194: ok 36273
194: ok 36274
194: ok 36275
194: ok 36276
194: ok 36277
194: ok 36278
194: ok 36279
194: ok 36280
194: ok 36281
194: ok 36282
194: ok 36283
194: ok 36284
194: ok 36285
194: ok 36286
194: ok 36287
194: ok 36288
194: ok 36289
194: ok 36290
194: ok 36291
194: ok 36292
194: ok 36293
194: ok 36294
194: ok 36295
194: ok 36296
194: ok 36297
194: ok 36298
194: ok 36299
194: ok 36300
194: ok 36301
194: ok 36302
194: ok 36303
194: ok 36304
194: ok 36305
194: ok 36306
194: ok 36307
194: ok 36308
194: ok 36309
194: ok 36310
194: ok 36311
194: ok 36312
194: ok 36313
194: ok 36314
194: ok 36315
194: ok 36316
194: ok 36317
194: ok 36318
194: ok 36319
194: ok 36320
194: ok 36321
194: ok 36322
194: ok 36323
194: ok 36324
194: ok 36325
194: ok 36326
194: ok 36327
194: ok 36328
194: ok 36329
194: ok 36330
194: ok 36331
194: ok 36332
194: ok 36333
194: ok 36334
194: ok 36335
194: ok 36336
194: ok 36337
194: ok 36338
194: ok 36339
194: ok 36340
194: ok 36341
194: ok 36342
194: ok 36343
194: ok 36344
194: ok 36345
194: ok 36346
194: ok 36347
194: ok 36348
194: ok 36349
194: ok 36350
194: ok 36351
194: ok 36352
194: ok 36353
194: ok 36354
194: ok 36355
194: ok 36356
194: ok 36357
194: ok 36358
194: ok 36359
194: ok 36360
194: ok 36361
194: ok 36362
194: ok 36363
194: ok 36364
194: ok 36365
194: ok 36366
194: ok 36367
194: ok 36368
194: ok 36369
194: ok 36370
194: ok 36371
194: ok 36372
194: ok 36373
194: ok 36374
194: ok 36375
194: ok 36376
194: ok 36377
194: ok 36378
194: ok 36379
194: ok 36380
194: ok 36381
194: ok 36382
194: ok 36383
194: ok 36384
194: ok 36385
194: ok 36386
194: ok 36387
194: ok 36388
194: ok 36389
194: ok 36390
194: ok 36391
194: ok 36392
194: ok 36393
194: ok 36394
194: ok 36395
194: ok 36396
194: ok 36397
194: ok 36398
194: ok 36399
194: ok 36400
194: ok 36401
194: ok 36402
194: ok 36403
194: ok 36404
194: ok 36405
194: ok 36406
194: ok 36407
194: ok 36408
194: ok 36409
194: ok 36410
194: ok 36411
194: ok 36412
194: ok 36413
194: ok 36414
194: ok 36415
194: ok 36416
194: ok 36417
194: ok 36418
194: ok 36419
194: ok 36420
194: ok 36421
194: ok 36422
194: ok 36423
194: ok 36424
194: ok 36425
194: ok 36426
194: ok 36427
194: ok 36428
194: ok 36429
194: ok 36430
194: ok 36431
194: ok 36432
194: ok 36433
194: ok 36434
194: ok 36435
194: ok 36436
194: ok 36437
194: ok 36438
194: ok 36439
194: ok 36440
194: ok 36441
194: ok 36442
194: ok 36443
194: ok 36444
194: ok 36445
194: ok 36446
194: ok 36447
194: ok 36448
194: ok 36449
194: ok 36450
194: ok 36451
194: ok 36452
194: ok 36453
194: ok 36454
194: ok 36455
194: ok 36456
194: ok 36457
194: ok 36458
194: ok 36459
194: ok 36460
194: ok 36461
194: ok 36462
194: ok 36463
194: ok 36464
194: ok 36465
194: ok 36466
194: ok 36467
194: ok 36468
194: ok 36469
194: ok 36470
194: ok 36471
194: ok 36472
194: ok 36473
194: ok 36474
194: ok 36475
194: ok 36476
194: ok 36477
194: ok 36478
194: ok 36479
194: ok 36480
194: ok 36481
194: ok 36482
194: ok 36483
194: ok 36484
194: ok 36485
194: ok 36486
194: ok 36487
194: ok 36488
194: ok 36489
194: ok 36490
194: ok 36491
194: ok 36492
194: ok 36493
194: ok 36494
194: ok 36495
194: ok 36496
194: ok 36497
194: ok 36498
194: ok 36499
194: ok 36500
194: ok 36501
194: ok 36502
194: ok 36503
194: ok 36504
194: ok 36505
194: ok 36506
194: ok 36507
194: ok 36508
194: ok 36509
194: ok 36510
194: ok 36511
194: ok 36512
194: ok 36513
194: ok 36514
194: ok 36515
194: ok 36516
194: ok 36517
194: ok 36518
194: ok 36519
194: ok 36520
194: ok 36521
194: ok 36522
194: ok 36523
194: ok 36524
194: ok 36525
194: ok 36526
194: ok 36527
194: ok 36528
194: ok 36529
194: ok 36530
194: ok 36531
194: ok 36532
194: ok 36533
194: ok 36534
194: ok 36535
194: ok 36536
194: ok 36537
194: ok 36538
194: ok 36539
194: ok 36540
194: ok 36541
194: ok 36542
194: ok 36543
194: ok 36544
194: ok 36545
194: ok 36546
194: ok 36547
194: ok 36548
194: ok 36549
194: ok 36550
194: ok 36551
194: ok 36552
194: ok 36553
194: ok 36554
194: ok 36555
194: ok 36556
194: ok 36557
194: ok 36558
194: ok 36559
194: ok 36560
194: ok 36561
194: ok 36562
194: ok 36563
194: ok 36564
194: ok 36565
194: ok 36566
194: ok 36567
194: ok 36568
194: ok 36569
194: ok 36570
194: ok 36571
194: ok 36572
194: ok 36573
194: ok 36574
194: ok 36575
194: ok 36576
194: ok 36577
194: ok 36578
194: ok 36579
194: ok 36580
194: ok 36581
194: ok 36582
194: ok 36583
194: ok 36584
194: ok 36585
194: ok 36586
194: ok 36587
194: ok 36588
194: ok 36589
194: ok 36590
194: ok 36591
194: ok 36592
194: ok 36593
194: ok 36594
194: ok 36595
194: ok 36596
194: ok 36597
194: ok 36598
194: ok 36599
194: ok 36600
194: ok 36601
194: ok 36602
194: ok 36603
194: ok 36604
194: ok 36605
194: ok 36606
194: ok 36607
194: ok 36608
194: ok 36609
194: ok 36610
194: ok 36611
194: ok 36612
194: ok 36613
194: ok 36614
194: ok 36615
194: ok 36616
194: ok 36617
194: ok 36618
194: ok 36619
194: ok 36620
194: ok 36621
194: ok 36622
194: ok 36623
194: ok 36624
194: ok 36625
194: ok 36626
194: ok 36627
194: ok 36628
194: ok 36629
194: ok 36630
194: ok 36631
194: ok 36632
194: ok 36633
194: ok 36634
194: ok 36635
194: ok 36636
194: ok 36637
194: ok 36638
194: ok 36639
194: ok 36640
194: ok 36641
194: ok 36642
194: ok 36643
194: ok 36644
194: ok 36645
194: ok 36646
194: ok 36647
194: ok 36648
194: ok 36649
194: ok 36650
194: ok 36651
194: ok 36652
194: ok 36653
194: ok 36654
194: ok 36655
194: ok 36656
194: ok 36657
194: ok 36658
194: ok 36659
194: ok 36660
194: ok 36661
194: ok 36662
194: ok 36663
194: ok 36664
194: ok 36665
194: ok 36666
194: ok 36667
194: ok 36668
194: ok 36669
194: ok 36670
194: ok 36671
194: ok 36672
194: ok 36673
194: ok 36674
194: ok 36675
194: ok 36676
194: ok 36677
194: ok 36678
194: ok 36679
194: ok 36680
194: ok 36681
194: ok 36682
194: ok 36683
194: ok 36684
194: ok 36685
194: ok 36686
194: ok 36687
194: ok 36688
194: ok 36689
194: ok 36690
194: ok 36691
194: ok 36692
194: ok 36693
194: ok 36694
194: ok 36695
194: ok 36696
194: ok 36697
194: ok 36698
194: ok 36699
194: ok 36700
194: ok 36701
194: ok 36702
194: ok 36703
194: ok 36704
194: ok 36705
194: ok 36706
194: ok 36707
194: ok 36708
194: ok 36709
194: ok 36710
194: ok 36711
194: ok 36712
194: ok 36713
194: ok 36714
194: ok 36715
194: ok 36716
194: ok 36717
194: ok 36718
194: ok 36719
194: ok 36720
194: ok 36721
194: ok 36722
194: ok 36723
194: ok 36724
194: ok 36725
194: ok 36726
194: ok 36727
194: ok 36728
194: ok 36729
194: ok 36730
194: ok 36731
194: ok 36732
194: ok 36733
194: ok 36734
194: ok 36735
194: ok 36736
194: ok 36737
194: ok 36738
194: ok 36739
194: ok 36740
194: ok 36741
194: ok 36742
194: ok 36743
194: ok 36744
194: ok 36745
194: ok 36746
194: ok 36747
194: ok 36748
194: ok 36749
194: ok 36750
194: ok 36751
194: ok 36752
194: ok 36753
194: ok 36754
194: ok 36755
194: ok 36756
194: ok 36757
194: ok 36758
194: ok 36759
194: ok 36760
194: ok 36761
194: ok 36762
194: ok 36763
194: ok 36764
194: ok 36765
194: ok 36766
194: ok 36767
194: ok 36768
194: ok 36769
194: ok 36770
194: ok 36771
194: ok 36772
194: ok 36773
194: ok 36774
194: ok 36775
194: ok 36776
194: ok 36777
194: ok 36778
194: ok 36779
194: ok 36780
194: ok 36781
194: ok 36782
194: ok 36783
194: ok 36784
194: ok 36785
194: ok 36786
194: ok 36787
194: ok 36788
194: ok 36789
194: ok 36790
194: ok 36791
194: ok 36792
194: ok 36793
194: ok 36794
194: ok 36795
194: ok 36796
194: ok 36797
194: ok 36798
194: ok 36799
194: ok 36800
194: ok 36801
194: ok 36802
194: ok 36803
194: ok 36804
194: ok 36805
194: ok 36806
194: ok 36807
194: ok 36808
194: ok 36809
194: ok 36810
194: ok 36811
194: ok 36812
194: ok 36813
194: ok 36814
194: ok 36815
194: ok 36816
194: ok 36817
194: ok 36818
194: ok 36819
194: ok 36820
194: ok 36821
194: ok 36822
194: ok 36823
194: ok 36824
194: ok 36825
194: ok 36826
194: ok 36827
194: ok 36828
194: ok 36829
194: ok 36830
194: ok 36831
194: ok 36832
194: ok 36833
194: ok 36834
194: ok 36835
194: ok 36836
194: ok 36837
194: ok 36838
194: ok 36839
194: ok 36840
194: ok 36841
194: ok 36842
194: ok 36843
194: ok 36844
194: ok 36845
194: ok 36846
194: ok 36847
194: ok 36848
194: ok 36849
194: ok 36850
194: ok 36851
194: ok 36852
194: ok 36853
194: ok 36854
194: ok 36855
194: ok 36856
194: ok 36857
194: ok 36858
194: ok 36859
194: ok 36860
194: ok 36861
194: ok 36862
194: ok 36863
194: ok 36864
194: ok 36865
194: ok 36866
194: ok 36867
194: ok 36868
194: ok 36869
194: ok 36870
194: ok 36871
194: ok 36872
194: ok 36873
194: ok 36874
194: ok 36875
194: ok 36876
194: ok 36877
194: ok 36878
194: ok 36879
194: ok 36880
194: ok 36881
194: ok 36882
194: ok 36883
194: ok 36884
194: ok 36885
194: ok 36886
194: ok 36887
194: ok 36888
194: ok 36889
194: ok 36890
194: ok 36891
194: ok 36892
194: ok 36893
194: ok 36894
194: ok 36895
194: ok 36896
194: ok 36897
194: ok 36898
194: ok 36899
194: ok 36900
194: ok 36901
194: ok 36902
194: ok 36903
194: ok 36904
194: ok 36905
194: ok 36906
194: ok 36907
194: ok 36908
194: ok 36909
194: ok 36910
194: ok 36911
194: ok 36912
194: ok 36913
194: ok 36914
194: ok 36915
194: ok 36916
194: ok 36917
194: ok 36918
194: ok 36919
194: ok 36920
194: ok 36921
194: ok 36922
194: ok 36923
194: ok 36924
194: ok 36925
194: ok 36926
194: ok 36927
194: ok 36928
194: ok 36929
194: ok 36930
194: ok 36931
194: ok 36932
194: ok 36933
194: ok 36934
194: ok 36935
194: ok 36936
194: ok 36937
194: ok 36938
194: ok 36939
194: ok 36940
194: ok 36941
194: ok 36942
194: ok 36943
194: ok 36944
194: ok 36945
194: ok 36946
194: ok 36947
194: ok 36948
194: ok 36949
194: ok 36950
194: ok 36951
194: ok 36952
194: ok 36953
194: ok 36954
194: ok 36955
194: ok 36956
194: ok 36957
194: ok 36958
194: ok 36959
194: ok 36960
194: ok 36961
194: ok 36962
194: ok 36963
194: ok 36964
194: ok 36965
194: ok 36966
194: ok 36967
194: ok 36968
194: ok 36969
194: ok 36970
194: ok 36971
194: ok 36972
194: ok 36973
194: ok 36974
194: ok 36975
194: ok 36976
194: ok 36977
194: ok 36978
194: ok 36979
194: ok 36980
194: ok 36981
194: ok 36982
194: ok 36983
194: ok 36984
194: ok 36985
194: ok 36986
194: ok 36987
194: ok 36988
194: ok 36989
194: ok 36990
194: ok 36991
194: ok 36992
194: ok 36993
194: ok 36994
194: ok 36995
194: ok 36996
194: ok 36997
194: ok 36998
194: ok 36999
194: ok 37000
194: ok 37001
194: ok 37002
194: ok 37003
194: ok 37004
194: ok 37005
194: ok 37006
194: ok 37007
194: ok 37008
194: ok 37009
194: ok 37010
194: ok 37011
194: ok 37012
194: ok 37013
194: ok 37014
194: ok 37015
194: ok 37016
194: ok 37017
194: ok 37018
194: ok 37019
194: ok 37020
194: ok 37021
194: ok 37022
194: ok 37023
194: ok 37024
194: ok 37025
194: ok 37026
194: ok 37027
194: ok 37028
194: ok 37029
194: ok 37030
194: ok 37031
194: ok 37032
194: ok 37033
194: ok 37034
194: ok 37035
194: ok 37036
194: ok 37037
194: ok 37038
194: ok 37039
194: ok 37040
194: ok 37041
194: ok 37042
194: ok 37043
194: ok 37044
194: ok 37045
194: ok 37046
194: ok 37047
194: ok 37048
194: ok 37049
194: ok 37050
194: ok 37051
194: ok 37052
194: ok 37053
194: ok 37054
194: ok 37055
194: ok 37056
194: ok 37057
194: ok 37058
194: ok 37059
194: ok 37060
194: ok 37061
194: ok 37062
194: ok 37063
194: ok 37064
194: ok 37065
194: ok 37066
194: ok 37067
194: ok 37068
194: ok 37069
194: ok 37070
194: ok 37071
194: ok 37072
194: ok 37073
194: ok 37074
194: ok 37075
194: ok 37076
194: ok 37077
194: ok 37078
194: ok 37079
194: ok 37080
194: ok 37081
194: ok 37082
194: ok 37083
194: ok 37084
194: ok 37085
194: ok 37086
194: ok 37087
194: ok 37088
194: ok 37089
194: ok 37090
194: ok 37091
194: ok 37092
194: ok 37093
194: ok 37094
194: ok 37095
194: ok 37096
194: ok 37097
194: ok 37098
194: ok 37099
194: ok 37100
194: ok 37101
194: ok 37102
194: ok 37103
194: ok 37104
194: ok 37105
194: ok 37106
194: ok 37107
194: ok 37108
194: ok 37109
194: ok 37110
194: ok 37111
194: ok 37112
194: ok 37113
194: ok 37114
194: ok 37115
194: ok 37116
194: ok 37117
194: ok 37118
194: ok 37119
194: ok 37120
194: ok 37121
194: ok 37122
194: ok 37123
194: ok 37124
194: ok 37125
194: ok 37126
194: ok 37127
194: ok 37128
194: ok 37129
194: ok 37130
194: ok 37131
194: ok 37132
194: ok 37133
194: ok 37134
194: ok 37135
194: ok 37136
194: ok 37137
194: ok 37138
194: ok 37139
194: ok 37140
194: ok 37141
194: ok 37142
194: ok 37143
194: ok 37144
194: ok 37145
194: ok 37146
194: ok 37147
194: ok 37148
194: ok 37149
194: ok 37150
194: ok 37151
194: ok 37152
194: ok 37153
194: ok 37154
194: ok 37155
194: ok 37156
194: ok 37157
194: ok 37158
194: ok 37159
194: ok 37160
194: ok 37161
194: ok 37162
194: ok 37163
194: ok 37164
194: ok 37165
194: ok 37166
194: ok 37167
194: ok 37168
194: ok 37169
194: ok 37170
194: ok 37171
194: ok 37172
194: ok 37173
194: ok 37174
194: ok 37175
194: ok 37176
194: ok 37177
194: ok 37178
194: ok 37179
194: ok 37180
194: ok 37181
194: ok 37182
194: ok 37183
194: ok 37184
194: ok 37185
194: ok 37186
194: ok 37187
194: ok 37188
194: ok 37189
194: ok 37190
194: ok 37191
194: ok 37192
194: ok 37193
194: ok 37194
194: ok 37195
194: ok 37196
194: ok 37197
194: ok 37198
194: ok 37199
194: ok 37200
194: ok 37201
194: ok 37202
194: ok 37203
194: ok 37204
194: ok 37205
194: ok 37206
194: ok 37207
194: ok 37208
194: ok 37209
194: ok 37210
194: ok 37211
194: ok 37212
194: ok 37213
194: ok 37214
194: ok 37215
194: ok 37216
194: ok 37217
194: ok 37218
194: ok 37219
194: ok 37220
194: ok 37221
194: ok 37222
194: ok 37223
194: ok 37224
194: ok 37225
194: ok 37226
194: ok 37227
194: ok 37228
194: ok 37229
194: ok 37230
194: ok 37231
194: ok 37232
194: ok 37233
194: ok 37234
194: ok 37235
194: ok 37236
194: ok 37237
194: ok 37238
194: ok 37239
194: ok 37240
194: ok 37241
194: ok 37242
194: ok 37243
194: ok 37244
194: ok 37245
194: ok 37246
194: ok 37247
194: ok 37248
194: ok 37249
194: ok 37250
194: ok 37251
194: ok 37252
194: ok 37253
194: ok 37254
194: ok 37255
194: ok 37256
194: ok 37257
194: ok 37258
194: ok 37259
194: ok 37260
194: ok 37261
194: ok 37262
194: ok 37263
194: ok 37264
194: ok 37265
194: ok 37266
194: ok 37267
194: ok 37268
194: ok 37269
194: ok 37270
194: ok 37271
194: ok 37272
194: ok 37273
194: ok 37274
194: ok 37275
194: ok 37276
194: ok 37277
194: ok 37278
194: ok 37279
194: ok 37280
194: ok 37281
194: ok 37282
194: ok 37283
194: ok 37284
194: ok 37285
194: ok 37286
194: ok 37287
194: ok 37288
194: ok 37289
194: ok 37290
194: ok 37291
194: ok 37292
194: ok 37293
194: ok 37294
194: ok 37295
194: ok 37296
194: ok 37297
194: ok 37298
194: ok 37299
194: ok 37300
194: ok 37301
194: ok 37302
194: ok 37303
194: ok 37304
194: ok 37305
194: ok 37306
194: ok 37307
194: ok 37308
194: ok 37309
194: ok 37310
194: ok 37311
194: ok 37312
194: ok 37313
194: ok 37314
194: ok 37315
194: ok 37316
194: ok 37317
194: ok 37318
194: ok 37319
194: ok 37320
194: ok 37321
194: ok 37322
194: ok 37323
194: ok 37324
194: ok 37325
194: ok 37326
194: ok 37327
194: ok 37328
194: ok 37329
194: ok 37330
194: ok 37331
194: ok 37332
194: ok 37333
194: ok 37334
194: ok 37335
194: ok 37336
194: ok 37337
194: ok 37338
194: ok 37339
194: ok 37340
194: ok 37341
194: ok 37342
194: ok 37343
194: ok 37344
194: ok 37345
194: ok 37346
194: ok 37347
194: ok 37348
194: ok 37349
194: ok 37350
194: ok 37351
194: ok 37352
194: ok 37353
194: ok 37354
194: ok 37355
194: ok 37356
194: ok 37357
194: ok 37358
194: ok 37359
194: ok 37360
194: ok 37361
194: ok 37362
194: ok 37363
194: ok 37364
194: ok 37365
194: ok 37366
194: ok 37367
194: ok 37368
194: ok 37369
194: ok 37370
194: ok 37371
194: ok 37372
194: ok 37373
194: ok 37374
194: ok 37375
194: ok 37376
194: ok 37377
194: ok 37378
194: ok 37379
194: ok 37380
194: ok 37381
194: ok 37382
194: ok 37383
194: ok 37384
194: ok 37385
194: ok 37386
194: ok 37387
194: ok 37388
194: ok 37389
194: ok 37390
194: ok 37391
194: ok 37392
194: ok 37393
194: ok 37394
194: ok 37395
194: ok 37396
194: ok 37397
194: ok 37398
194: ok 37399
194: ok 37400
194: ok 37401
194: ok 37402
194: ok 37403
194: ok 37404
194: ok 37405
194: ok 37406
194: ok 37407
194: ok 37408
194: ok 37409
194: ok 37410
194: ok 37411
194: ok 37412
194: ok 37413
194: ok 37414
194: ok 37415
194: ok 37416
194: ok 37417
194: ok 37418
194: ok 37419
194: ok 37420
194: ok 37421
194: ok 37422
194: ok 37423
194: ok 37424
194: ok 37425
194: ok 37426
194: ok 37427
194: ok 37428
194: ok 37429
194: ok 37430
194: ok 37431
194: ok 37432
194: ok 37433
194: ok 37434
194: ok 37435
194: ok 37436
194: ok 37437
194: ok 37438
194: ok 37439
194: ok 37440
194: ok 37441
194: ok 37442
194: ok 37443
194: ok 37444
194: ok 37445
194: ok 37446
194: ok 37447
194: ok 37448
194: ok 37449
194: ok 37450
194: ok 37451
194: ok 37452
194: ok 37453
194: ok 37454
194: ok 37455
194: ok 37456
194: ok 37457
194: ok 37458
194: ok 37459
194: ok 37460
194: ok 37461
194: ok 37462
194: ok 37463
194: ok 37464
194: ok 37465
194: ok 37466
194: ok 37467
194: ok 37468
194: ok 37469
194: ok 37470
194: ok 37471
194: ok 37472
194: ok 37473
194: ok 37474
194: ok 37475
194: ok 37476
194: ok 37477
194: ok 37478
194: ok 37479
194: ok 37480
194: ok 37481
194: ok 37482
194: ok 37483
194: ok 37484
194: ok 37485
194: ok 37486
194: ok 37487
194: ok 37488
194: ok 37489
194: ok 37490
194: ok 37491
194: ok 37492
194: ok 37493
194: ok 37494
194: ok 37495
194: ok 37496
194: ok 37497
194: ok 37498
194: ok 37499
194: ok 37500
194: ok 37501
194: ok 37502
194: ok 37503
194: ok 37504
194: ok 37505
194: ok 37506
194: ok 37507
194: ok 37508
194: ok 37509
194: ok 37510
194: ok 37511
194: ok 37512
194: ok 37513
194: ok 37514
194: ok 37515
194: ok 37516
194: ok 37517
194: ok 37518
194: ok 37519
194: ok 37520
194: ok 37521
194: ok 37522
194: ok 37523
194: ok 37524
194: ok 37525
194: ok 37526
194: ok 37527
194: ok 37528
194: ok 37529
194: ok 37530
194: ok 37531
194: ok 37532
194: ok 37533
194: ok 37534
194: ok 37535
194: ok 37536
194: ok 37537
194: ok 37538
194: ok 37539
194: ok 37540
194: ok 37541
194: ok 37542
194: ok 37543
194: ok 37544
194: ok 37545
194: ok 37546
194: ok 37547
194: ok 37548
194: ok 37549
194: ok 37550
194: ok 37551
194: ok 37552
194: ok 37553
194: ok 37554
194: ok 37555
194: ok 37556
194: ok 37557
194: ok 37558
194: ok 37559
194: ok 37560
194: ok 37561
194: ok 37562
194: ok 37563
194: ok 37564
194: ok 37565
194: ok 37566
194: ok 37567
194: ok 37568
194: ok 37569
194: ok 37570
194: ok 37571
194: ok 37572
194: ok 37573
194: ok 37574
194: ok 37575
194: ok 37576
194: ok 37577
194: ok 37578
194: ok 37579
194: ok 37580
194: ok 37581
194: ok 37582
194: ok 37583
194: ok 37584
194: ok 37585
194: ok 37586
194: ok 37587
194: ok 37588
194: ok 37589
194: ok 37590
194: ok 37591
194: ok 37592
194: ok 37593
194: ok 37594
194: ok 37595
194: ok 37596
194: ok 37597
194: ok 37598
194: ok 37599
194: ok 37600
194: ok 37601
194: ok 37602
194: ok 37603
194: ok 37604
194: ok 37605
194: ok 37606
194: ok 37607
194: ok 37608
194: ok 37609
194: ok 37610
194: ok 37611
194: ok 37612
194: ok 37613
194: ok 37614
194: ok 37615
194: ok 37616
194: ok 37617
194: ok 37618
194: ok 37619
194: ok 37620
194: ok 37621
194: ok 37622
194: ok 37623
194: ok 37624
194: ok 37625
194: ok 37626
194: ok 37627
194: ok 37628
194: ok 37629
194: ok 37630
194: ok 37631
194: ok 37632
194: ok 37633
194: ok 37634
194: ok 37635
194: ok 37636
194: ok 37637
194: ok 37638
194: ok 37639
194: ok 37640
194: ok 37641
194: ok 37642
194: ok 37643
194: ok 37644
194: ok 37645
194: ok 37646
194: ok 37647
194: ok 37648
194: ok 37649
194: ok 37650
194: ok 37651
194: ok 37652
194: ok 37653
194: ok 37654
194: ok 37655
194: ok 37656
194: ok 37657
194: ok 37658
194: ok 37659
194: ok 37660
194: ok 37661
194: ok 37662
194: ok 37663
194: ok 37664
194: ok 37665
194: ok 37666
194: ok 37667
194: ok 37668
194: ok 37669
194: ok 37670
194: ok 37671
194: ok 37672
194: ok 37673
194: ok 37674
194: ok 37675
194: ok 37676
194: ok 37677
194: ok 37678
194: ok 37679
194: ok 37680
194: ok 37681
194: ok 37682
194: ok 37683
194: ok 37684
194: ok 37685
194: ok 37686
194: ok 37687
194: ok 37688
194: ok 37689
194: ok 37690
194: ok 37691
194: ok 37692
194: ok 37693
194: ok 37694
194: ok 37695
194: ok 37696
194: ok 37697
194: ok 37698
194: ok 37699
194: ok 37700
194: ok 37701
194: ok 37702
194: ok 37703
194: ok 37704
194: ok 37705
194: ok 37706
194: ok 37707
194: ok 37708
194: ok 37709
194: ok 37710
194: ok 37711
194: ok 37712
194: ok 37713
194: ok 37714
194: ok 37715
194: ok 37716
194: ok 37717
194: ok 37718
194: ok 37719
194: ok 37720
194: ok 37721
194: ok 37722
194: ok 37723
194: ok 37724
194: ok 37725
194: ok 37726
194: ok 37727
194: ok 37728
194: ok 37729
194: ok 37730
194: ok 37731
194: ok 37732
194: ok 37733
194: ok 37734
194: ok 37735
194: ok 37736
194: ok 37737
194: ok 37738
194: ok 37739
194: ok 37740
194: ok 37741
194: ok 37742
194: ok 37743
194: ok 37744
194: ok 37745
194: ok 37746
194: ok 37747
194: ok 37748
194: ok 37749
194: ok 37750
194: ok 37751
194: ok 37752
194: ok 37753
194: ok 37754
194: ok 37755
194: ok 37756
194: ok 37757
194: ok 37758
194: ok 37759
194: ok 37760
194: ok 37761
194: ok 37762
194: ok 37763
194: ok 37764
194: ok 37765
194: ok 37766
194: ok 37767
194: ok 37768
194: ok 37769
194: ok 37770
194: ok 37771
194: ok 37772
194: ok 37773
194: ok 37774
194: ok 37775
194: ok 37776
194: ok 37777
194: ok 37778
194: ok 37779
194: ok 37780
194: ok 37781
194: ok 37782
194: ok 37783
194: ok 37784
194: ok 37785
194: ok 37786
194: ok 37787
194: ok 37788
194: ok 37789
194: ok 37790
194: ok 37791
194: ok 37792
194: ok 37793
194: ok 37794
194: ok 37795
194: ok 37796
194: ok 37797
194: ok 37798
194: ok 37799
194: ok 37800
194: ok 37801
194: ok 37802
194: ok 37803
194: ok 37804
194: ok 37805
194: ok 37806
194: ok 37807
194: ok 37808
194: ok 37809
194: ok 37810
194: ok 37811
194: ok 37812
194: ok 37813
194: ok 37814
194: ok 37815
194: ok 37816
194: ok 37817
194: ok 37818
194: ok 37819
194: ok 37820
194: ok 37821
194: ok 37822
194: ok 37823
194: ok 37824
194: ok 37825
194: ok 37826
194: ok 37827
194: ok 37828
194: ok 37829
194: ok 37830
194: ok 37831
194: ok 37832
194: ok 37833
194: ok 37834
194: ok 37835
194: ok 37836
194: ok 37837
194: ok 37838
194: ok 37839
194: ok 37840
194: ok 37841
194: ok 37842
194: ok 37843
194: ok 37844
194: ok 37845
194: ok 37846
194: ok 37847
194: ok 37848
194: ok 37849
194: ok 37850
194: ok 37851
194: ok 37852
194: ok 37853
194: ok 37854
194: ok 37855
194: ok 37856
194: ok 37857
194: ok 37858
194: ok 37859
194: ok 37860
194: ok 37861
194: ok 37862
194: ok 37863
194: ok 37864
194: ok 37865
194: ok 37866
194: ok 37867
194: ok 37868
194: ok 37869
194: ok 37870
194: ok 37871
194: ok 37872
194: ok 37873
194: ok 37874
194: ok 37875
194: ok 37876
194: ok 37877
194: ok 37878
194: ok 37879
194: ok 37880
194: ok 37881
194: ok 37882
194: ok 37883
194: ok 37884
194: ok 37885
194: ok 37886
194: ok 37887
194: ok 37888
194: ok 37889
194: ok 37890
194: ok 37891
194: ok 37892
194: ok 37893
194: ok 37894
194: ok 37895
194: ok 37896
194: ok 37897
194: ok 37898
194: ok 37899
194: ok 37900
194: ok 37901
194: ok 37902
194: ok 37903
194: ok 37904
194: ok 37905
194: ok 37906
194: ok 37907
194: ok 37908
194: ok 37909
194: ok 37910
194: ok 37911
194: ok 37912
194: ok 37913
194: ok 37914
194: ok 37915
194: ok 37916
194: ok 37917
194: ok 37918
194: ok 37919
194: ok 37920
194: ok 37921
194: ok 37922
194: ok 37923
194: ok 37924
194: ok 37925
194: ok 37926
194: ok 37927
194: ok 37928
194: ok 37929
194: ok 37930
194: ok 37931
194: ok 37932
194: ok 37933
194: ok 37934
194: ok 37935
194: ok 37936
194: ok 37937
194: ok 37938
194: ok 37939
194: ok 37940
194: ok 37941
194: ok 37942
194: ok 37943
194: ok 37944
194: ok 37945
194: ok 37946
194: ok 37947
194: ok 37948
194: ok 37949
194: ok 37950
194: ok 37951
194: ok 37952
194: ok 37953
194: ok 37954
194: ok 37955
194: ok 37956
194: ok 37957
194: ok 37958
194: ok 37959
194: ok 37960
194: ok 37961
194: ok 37962
194: ok 37963
194: ok 37964
194: ok 37965
194: ok 37966
194: ok 37967
194: ok 37968
194: ok 37969
194: ok 37970
194: ok 37971
194: ok 37972
194: ok 37973
194: ok 37974
194: ok 37975
194: ok 37976
194: ok 37977
194: ok 37978
194: ok 37979
194: ok 37980
194: ok 37981
194: ok 37982
194: ok 37983
194: ok 37984
194: ok 37985
194: ok 37986
194: ok 37987
194: ok 37988
194: ok 37989
194: ok 37990
194: ok 37991
194: ok 37992
194: ok 37993
194: ok 37994
194: ok 37995
194: ok 37996
194: ok 37997
194: ok 37998
194: ok 37999
194: ok 38000
194: ok 38001
194: ok 38002
194: ok 38003
194: ok 38004
194: ok 38005
194: ok 38006
194: ok 38007
194: ok 38008
194: ok 38009
194: ok 38010
194: ok 38011
194: ok 38012
194: ok 38013
194: ok 38014
194: ok 38015
194: ok 38016
194: ok 38017
194: ok 38018
194: ok 38019
194: ok 38020
194: ok 38021
194: ok 38022
194: ok 38023
194: ok 38024
194: ok 38025
194: ok 38026
194: ok 38027
194: ok 38028
194: ok 38029
194: ok 38030
194: ok 38031
194: ok 38032
194: ok 38033
194: ok 38034
194: ok 38035
194: ok 38036
194: ok 38037
194: ok 38038
194: ok 38039
194: ok 38040
194: ok 38041
194: ok 38042
194: ok 38043
194: ok 38044
194: ok 38045
194: ok 38046
194: ok 38047
194: ok 38048
194: ok 38049
194: ok 38050
194: ok 38051
194: ok 38052
194: ok 38053
194: ok 38054
194: ok 38055
194: ok 38056
194: ok 38057
194: ok 38058
194: ok 38059
194: ok 38060
194: ok 38061
194: ok 38062
194: ok 38063
194: ok 38064
194: ok 38065
194: ok 38066
194: ok 38067
194: ok 38068
194: ok 38069
194: ok 38070
194: ok 38071
194: ok 38072
194: ok 38073
194: ok 38074
194: ok 38075
194: ok 38076
194: ok 38077
194: ok 38078
194: ok 38079
194: ok 38080
194: ok 38081
194: ok 38082
194: ok 38083
194: ok 38084
194: ok 38085
194: ok 38086
194: ok 38087
194: ok 38088
194: ok 38089
194: ok 38090
194: ok 38091
194: ok 38092
194: ok 38093
194: ok 38094
194: ok 38095
194: ok 38096
194: ok 38097
194: ok 38098
194: ok 38099
194: ok 38100
194: ok 38101
194: ok 38102
194: ok 38103
194: ok 38104
194: ok 38105
194: ok 38106
194: ok 38107
194: ok 38108
194: ok 38109
194: ok 38110
194: ok 38111
194: ok 38112
194: ok 38113
194: ok 38114
194: ok 38115
194: ok 38116
194: ok 38117
194: ok 38118
194: ok 38119
194: ok 38120
194: ok 38121
194: ok 38122
194: ok 38123
194: ok 38124
194: ok 38125
194: ok 38126
194: ok 38127
194: ok 38128
194: ok 38129
194: ok 38130
194: ok 38131
194: ok 38132
194: ok 38133
194: ok 38134
194: ok 38135
194: ok 38136
194: ok 38137
194: ok 38138
194: ok 38139
194: ok 38140
194: ok 38141
194: ok 38142
194: ok 38143
194: ok 38144
194: ok 38145
194: ok 38146
194: ok 38147
194: ok 38148
194: ok 38149
194: ok 38150
194: ok 38151
194: ok 38152
194: ok 38153
194: ok 38154
194: ok 38155
194: ok 38156
194: ok 38157
194: ok 38158
194: ok 38159
194: ok 38160
194: ok 38161
194: ok 38162
194: ok 38163
194: ok 38164
194: ok 38165
194: ok 38166
194: ok 38167
194: ok 38168
194: ok 38169
194: ok 38170
194: ok 38171
194: ok 38172
194: ok 38173
194: ok 38174
194: ok 38175
194: ok 38176
194: ok 38177
194: ok 38178
194: ok 38179
194: ok 38180
194: ok 38181
194: ok 38182
194: ok 38183
194: ok 38184
194: ok 38185
194: ok 38186
194: ok 38187
194: ok 38188
194: ok 38189
194: ok 38190
194: ok 38191
194: ok 38192
194: ok 38193
194: ok 38194
194: ok 38195
194: ok 38196
194: ok 38197
194: ok 38198
194: ok 38199
194: ok 38200
194: ok 38201
194: ok 38202
194: ok 38203
194: ok 38204
194: ok 38205
194: ok 38206
194: ok 38207
194: ok 38208
194: ok 38209
194: ok 38210
194: ok 38211
194: ok 38212
194: ok 38213
194: ok 38214
194: ok 38215
194: ok 38216
194: ok 38217
194: ok 38218
194: ok 38219
194: ok 38220
194: ok 38221
194: ok 38222
194: ok 38223
194: ok 38224
194: ok 38225
194: ok 38226
194: ok 38227
194: ok 38228
194: ok 38229
194: ok 38230
194: ok 38231
194: ok 38232
194: ok 38233
194: ok 38234
194: ok 38235
194: ok 38236
194: ok 38237
194: ok 38238
194: ok 38239
194: ok 38240
194: ok 38241
194: ok 38242
194: ok 38243
194: ok 38244
194: ok 38245
194: ok 38246
194: ok 38247
194: ok 38248
194: ok 38249
194: ok 38250
194: ok 38251
194: ok 38252
194: ok 38253
194: ok 38254
194: ok 38255
194: ok 38256
194: ok 38257
194: ok 38258
194: ok 38259
194: ok 38260
194: ok 38261
194: ok 38262
194: ok 38263
194: ok 38264
194: ok 38265
194: ok 38266
194: ok 38267
194: ok 38268
194: ok 38269
194: ok 38270
194: ok 38271
194: ok 38272
194: ok 38273
194: ok 38274
194: ok 38275
194: ok 38276
194: ok 38277
194: ok 38278
194: ok 38279
194: ok 38280
194: ok 38281
194: ok 38282
194: ok 38283
194: ok 38284
194: ok 38285
194: ok 38286
194: ok 38287
194: ok 38288
194: ok 38289
194: ok 38290
194: ok 38291
194: ok 38292
194: ok 38293
194: ok 38294
194: ok 38295
194: ok 38296
194: ok 38297
194: ok 38298
194: ok 38299
194: ok 38300
194: ok 38301
194: ok 38302
194: ok 38303
194: ok 38304
194: ok 38305
194: ok 38306
194: ok 38307
194: ok 38308
194: ok 38309
194: ok 38310
194: ok 38311
194: ok 38312
194: ok 38313
194: ok 38314
194: ok 38315
194: ok 38316
194: ok 38317
194: ok 38318
194: ok 38319
194: ok 38320
194: ok 38321
194: ok 38322
194: ok 38323
194: ok 38324
194: ok 38325
194: ok 38326
194: ok 38327
194: ok 38328
194: ok 38329
194: ok 38330
194: ok 38331
194: ok 38332
194: ok 38333
194: ok 38334
194: ok 38335
194: ok 38336
194: ok 38337
194: ok 38338
194: ok 38339
194: ok 38340
194: ok 38341
194: ok 38342
194: ok 38343
194: ok 38344
194: ok 38345
194: ok 38346
194: ok 38347
194: ok 38348
194: ok 38349
194: ok 38350
194: ok 38351
194: ok 38352
194: ok 38353
194: ok 38354
194: ok 38355
194: ok 38356
194: ok 38357
194: ok 38358
194: ok 38359
194: ok 38360
194: ok 38361
194: ok 38362
194: ok 38363
194: ok 38364
194: ok 38365
194: ok 38366
194: ok 38367
194: ok 38368
194: ok 38369
194: ok 38370
194: ok 38371
194: ok 38372
194: ok 38373
194: ok 38374
194: ok 38375
194: ok 38376
194: ok 38377
194: ok 38378
194: ok 38379
194: ok 38380
194: ok 38381
194: ok 38382
194: ok 38383
194: ok 38384
194: ok 38385
194: ok 38386
194: ok 38387
194: ok 38388
194: ok 38389
194: ok 38390
194: ok 38391
194: ok 38392
194: ok 38393
194: ok 38394
194: ok 38395
194: ok 38396
194: ok 38397
194: ok 38398
194: ok 38399
194: ok 38400
194: ok 38401
194: ok 38402
194: ok 38403
194: ok 38404
194: ok 38405
194: ok 38406
194: ok 38407
194: ok 38408
194: ok 38409
194: ok 38410
194: ok 38411
194: ok 38412
194: ok 38413
194: ok 38414
194: ok 38415
194: ok 38416
194: ok 38417
194: ok 38418
194: ok 38419
194: ok 38420
194: ok 38421
194: ok 38422
194: ok 38423
194: ok 38424
194: ok 38425
194: ok 38426
194: ok 38427
194: ok 38428
194: ok 38429
194: ok 38430
194: ok 38431
194: ok 38432
194: ok 38433
194: ok 38434
194: ok 38435
194: ok 38436
194: ok 38437
194: ok 38438
194: ok 38439
194: ok 38440
194: ok 38441
194: ok 38442
194: ok 38443
194: ok 38444
194: ok 38445
194: ok 38446
194: ok 38447
194: ok 38448
194: ok 38449
194: ok 38450
194: ok 38451
194: ok 38452
194: ok 38453
194: ok 38454
194: ok 38455
194: ok 38456
194: ok 38457
194: ok 38458
194: ok 38459
194: ok 38460
194: ok 38461
194: ok 38462
194: ok 38463
194: ok 38464
194: ok 38465
194: ok 38466
194: ok 38467
194: ok 38468
194: ok 38469
194: ok 38470
194: ok 38471
194: ok 38472
194: ok 38473
194: ok 38474
194: ok 38475
194: ok 38476
194: ok 38477
194: ok 38478
194: ok 38479
194: ok 38480
194: ok 38481
194: ok 38482
194: ok 38483
194: ok 38484
194: ok 38485
194: ok 38486
194: ok 38487
194: ok 38488
194: ok 38489
194: ok 38490
194: ok 38491
194: ok 38492
194: ok 38493
194: ok 38494
194: ok 38495
194: ok 38496
194: ok 38497
194: ok 38498
194: ok 38499
194: ok 38500
194: ok 38501
194: ok 38502
194: ok 38503
194: ok 38504
194: ok 38505
194: ok 38506
194: ok 38507
194: ok 38508
194: ok 38509
194: ok 38510
194: ok 38511
194: ok 38512
194: ok 38513
194: ok 38514
194: ok 38515
194: ok 38516
194: ok 38517
194: ok 38518
194: ok 38519
194: ok 38520
194: ok 38521
194: ok 38522
194: ok 38523
194: ok 38524
194: ok 38525
194: ok 38526
194: ok 38527
194: ok 38528
194: ok 38529
194: ok 38530
194: ok 38531
194: ok 38532
194: ok 38533
194: ok 38534
194: ok 38535
194: ok 38536
194: ok 38537
194: ok 38538
194: ok 38539
194: ok 38540
194: ok 38541
194: ok 38542
194: ok 38543
194: ok 38544
194: ok 38545
194: ok 38546
194: ok 38547
194: ok 38548
194: ok 38549
194: ok 38550
194: ok 38551
194: ok 38552
194: ok 38553
194: ok 38554
194: ok 38555
194: ok 38556
194: ok 38557
194: ok 38558
194: ok 38559
194: ok 38560
194: ok 38561
194: ok 38562
194: ok 38563
194: ok 38564
194: ok 38565
194: ok 38566
194: ok 38567
194: ok 38568
194: ok 38569
194: ok 38570
194: ok 38571
194: ok 38572
194: ok 38573
194: ok 38574
194: ok 38575
194: ok 38576
194: ok 38577
194: ok 38578
194: ok 38579
194: ok 38580
194: ok 38581
194: ok 38582
194: ok 38583
194: ok 38584
194: ok 38585
194: ok 38586
194: ok 38587
194: ok 38588
194: ok 38589
194: ok 38590
194: ok 38591
194: ok 38592
194: ok 38593
194: ok 38594
194: ok 38595
194: ok 38596
194: ok 38597
194: ok 38598
194: ok 38599
194: ok 38600
194: ok 38601
194: ok 38602
194: ok 38603
194: ok 38604
194: ok 38605
194: ok 38606
194: ok 38607
194: ok 38608
194: ok 38609
194: ok 38610
194: ok 38611
194: ok 38612
194: ok 38613
194: ok 38614
194: ok 38615
194: ok 38616
194: ok 38617
194: ok 38618
194: ok 38619
194: ok 38620
194: ok 38621
194: ok 38622
194: ok 38623
194: ok 38624
194: ok 38625
194: ok 38626
194: ok 38627
194: ok 38628
194: ok 38629
194: ok 38630
194: ok 38631
194: ok 38632
194: ok 38633
194: ok 38634
194: ok 38635
194: ok 38636
194: ok 38637
194: ok 38638
194: ok 38639
194: ok 38640
194: ok 38641
194: ok 38642
194: ok 38643
194: ok 38644
194: ok 38645
194: ok 38646
194: ok 38647
194: ok 38648
194: ok 38649
194: ok 38650
194: ok 38651
194: ok 38652
194: ok 38653
194: ok 38654
194: ok 38655
194: ok 38656
194: ok 38657
194: ok 38658
194: ok 38659
194: ok 38660
194: ok 38661
194: ok 38662
194: ok 38663
194: ok 38664
194: ok 38665
194: ok 38666
194: ok 38667
194: ok 38668
194: ok 38669
194: ok 38670
194: ok 38671
194: ok 38672
194: ok 38673
194: ok 38674
194: ok 38675
194: ok 38676
194: ok 38677
194: ok 38678
194: ok 38679
194: ok 38680
194: ok 38681
194: ok 38682
194: ok 38683
194: ok 38684
194: ok 38685
194: ok 38686
194: ok 38687
194: ok 38688
194: ok 38689
194: ok 38690
194: ok 38691
194: ok 38692
194: ok 38693
194: ok 38694
194: ok 38695
194: ok 38696
194: ok 38697
194: ok 38698
194: ok 38699
194: ok 38700
194: ok 38701
194: ok 38702
194: ok 38703
194: ok 38704
194: ok 38705
194: ok 38706
194: ok 38707
194: ok 38708
194: ok 38709
194: ok 38710
194: ok 38711
194: ok 38712
194: ok 38713
194: ok 38714
194: ok 38715
194: ok 38716
194: ok 38717
194: ok 38718
194: ok 38719
194: ok 38720
194: ok 38721
194: ok 38722
194: ok 38723
194: ok 38724
194: ok 38725
194: ok 38726
194: ok 38727
194: ok 38728
194: ok 38729
194: ok 38730
194: ok 38731
194: ok 38732
194: ok 38733
194: ok 38734
194: ok 38735
194: ok 38736
194: ok 38737
194: ok 38738
194: ok 38739
194: ok 38740
194: ok 38741
194: ok 38742
194: ok 38743
194: ok 38744
194: ok 38745
194: ok 38746
194: ok 38747
194: ok 38748
194: ok 38749
194: ok 38750
194: ok 38751
194: ok 38752
194: ok 38753
194: ok 38754
194: ok 38755
194: ok 38756
194: ok 38757
194: ok 38758
194: ok 38759
194: ok 38760
194: ok 38761
194: ok 38762
194: ok 38763
194: ok 38764
194: ok 38765
194: ok 38766
194: ok 38767
194: ok 38768
194: ok 38769
194: ok 38770
194: ok 38771
194: ok 38772
194: ok 38773
194: ok 38774
194: ok 38775
194: ok 38776
194: ok 38777
194: ok 38778
194: ok 38779
194: ok 38780
194: ok 38781
194: ok 38782
194: ok 38783
194: ok 38784
194: ok 38785
194: ok 38786
194: ok 38787
194: ok 38788
194: ok 38789
194: ok 38790
194: ok 38791
194: ok 38792
194: ok 38793
194: ok 38794
194: ok 38795
194: ok 38796
194: ok 38797
194: ok 38798
194: ok 38799
194: ok 38800
194: ok 38801
194: ok 38802
194: ok 38803
194: ok 38804
194: ok 38805
194: ok 38806
194: ok 38807
194: ok 38808
194: ok 38809
194: ok 38810
194: ok 38811
194: ok 38812
194: ok 38813
194: ok 38814
194: ok 38815
194: ok 38816
194: ok 38817
194: ok 38818
194: ok 38819
194: ok 38820
194: ok 38821
194: ok 38822
194: ok 38823
194: ok 38824
194: ok 38825
194: ok 38826
194: ok 38827
194: ok 38828
194: ok 38829
194: ok 38830
194: ok 38831
194: ok 38832
194: ok 38833
194: ok 38834
194: ok 38835
194: ok 38836
194: ok 38837
194: ok 38838
194: ok 38839
194: ok 38840
194: ok 38841
194: ok 38842
194: ok 38843
194: ok 38844
194: ok 38845
194: ok 38846
194: ok 38847
194: ok 38848
194: ok 38849
194: ok 38850
194: ok 38851
194: ok 38852
194: ok 38853
194: ok 38854
194: ok 38855
194: ok 38856
194: ok 38857
194: ok 38858
194: ok 38859
194: ok 38860
194: ok 38861
194: ok 38862
194: ok 38863
194: ok 38864
194: ok 38865
194: ok 38866
194: ok 38867
194: ok 38868
194: ok 38869
194: ok 38870
194: ok 38871
194: ok 38872
194: ok 38873
194: ok 38874
194: ok 38875
194: ok 38876
194: ok 38877
194: ok 38878
194: ok 38879
194: ok 38880
194: ok 38881
194: ok 38882
194: ok 38883
194: ok 38884
194: ok 38885
194: ok 38886
194: ok 38887
194: ok 38888
194: ok 38889
194: ok 38890
194: ok 38891
194: ok 38892
194: ok 38893
194: ok 38894
194: ok 38895
194: ok 38896
194: ok 38897
194: ok 38898
194: ok 38899
194: ok 38900
194: ok 38901
194: ok 38902
194: ok 38903
194: ok 38904
194: ok 38905
194: ok 38906
194: ok 38907
194: ok 38908
194: ok 38909
194: ok 38910
194: ok 38911
194: ok 38912
194: ok 38913
194: ok 38914
194: ok 38915
194: ok 38916
194: ok 38917
194: ok 38918
194: ok 38919
194: ok 38920
194: ok 38921
194: ok 38922
194: ok 38923
194: ok 38924
194: ok 38925
194: ok 38926
194: ok 38927
194: ok 38928
194: ok 38929
194: ok 38930
194: ok 38931
194: ok 38932
194: ok 38933
194: ok 38934
194: ok 38935
194: ok 38936
194: ok 38937
194: ok 38938
194: ok 38939
194: ok 38940
194: ok 38941
194: ok 38942
194: ok 38943
194: ok 38944
194: ok 38945
194: ok 38946
194: ok 38947
194: ok 38948
194: ok 38949
194: ok 38950
194: ok 38951
194: ok 38952
194: ok 38953
194: ok 38954
194: ok 38955
194: ok 38956
194: ok 38957
194: ok 38958
194: ok 38959
194: ok 38960
194: ok 38961
194: ok 38962
194: ok 38963
194: ok 38964
194: ok 38965
194: ok 38966
194: ok 38967
194: ok 38968
194: ok 38969
194: ok 38970
194: ok 38971
194: ok 38972
194: ok 38973
194: ok 38974
194: ok 38975
194: ok 38976
194: ok 38977
194: ok 38978
194: ok 38979
194: ok 38980
194: ok 38981
194: ok 38982
194: ok 38983
194: ok 38984
194: ok 38985
194: ok 38986
194: ok 38987
194: ok 38988
194: ok 38989
194: ok 38990
194: ok 38991
194: ok 38992
194: ok 38993
194: ok 38994
194: ok 38995
194: ok 38996
194: ok 38997
194: ok 38998
194: ok 38999
194: ok 39000
194: ok 39001
194: ok 39002
194: ok 39003
194: ok 39004
194: ok 39005
194: ok 39006
194: ok 39007
194: ok 39008
194: ok 39009
194: ok 39010
194: ok 39011
194: ok 39012
194: ok 39013
194: ok 39014
194: ok 39015
194: ok 39016
194: ok 39017
194: ok 39018
194: ok 39019
194: ok 39020
194: ok 39021
194: ok 39022
194: ok 39023
194: ok 39024
194: ok 39025
194: ok 39026
194: ok 39027
194: ok 39028
194: ok 39029
194: ok 39030
194: ok 39031
194: ok 39032
194: ok 39033
194: ok 39034
194: ok 39035
194: ok 39036
194: ok 39037
194: ok 39038
194: ok 39039
194: ok 39040
194: ok 39041
194: ok 39042
194: ok 39043
194: ok 39044
194: ok 39045
194: ok 39046
194: ok 39047
194: ok 39048
194: ok 39049
194: ok 39050
194: ok 39051
194: ok 39052
194: ok 39053
194: ok 39054
194: ok 39055
194: ok 39056
194: ok 39057
194: ok 39058
194: ok 39059
194: ok 39060
194: ok 39061
194: ok 39062
194: ok 39063
194: ok 39064
194: ok 39065
194: ok 39066
194: ok 39067
194: ok 39068
194: ok 39069
194: ok 39070
194: ok 39071
194: ok 39072
194: ok 39073
194: ok 39074
194: ok 39075
194: ok 39076
194: ok 39077
194: ok 39078
194: ok 39079
194: ok 39080
194: ok 39081
194: ok 39082
194: ok 39083
194: ok 39084
194: ok 39085
194: ok 39086
194: ok 39087
194: ok 39088
194: ok 39089
194: ok 39090
194: ok 39091
194: ok 39092
194: ok 39093
194: ok 39094
194: ok 39095
194: ok 39096
194: ok 39097
194: ok 39098
194: ok 39099
194: ok 39100
194: ok 39101
194: ok 39102
194: ok 39103
194: ok 39104
194: ok 39105
194: ok 39106
194: ok 39107
194: ok 39108
194: ok 39109
194: ok 39110
194: ok 39111
194: ok 39112
194: ok 39113
194: ok 39114
194: ok 39115
194: ok 39116
194: ok 39117
194: ok 39118
194: ok 39119
194: ok 39120
194: ok 39121
194: ok 39122
194: ok 39123
194: ok 39124
194: ok 39125
194: ok 39126
194: ok 39127
194: ok 39128
194: ok 39129
194: ok 39130
194: ok 39131
194: ok 39132
194: ok 39133
194: ok 39134
194: ok 39135
194: ok 39136
194: ok 39137
194: ok 39138
194: ok 39139
194: ok 39140
194: ok 39141
194: ok 39142
194: ok 39143
194: ok 39144
194: ok 39145
194: ok 39146
194: ok 39147
194: ok 39148
194: ok 39149
194: ok 39150
194: ok 39151
194: ok 39152
194: ok 39153
194: ok 39154
194: ok 39155
194: ok 39156
194: ok 39157
194: ok 39158
194: ok 39159
194: ok 39160
194: ok 39161
194: ok 39162
194: ok 39163
194: ok 39164
194: ok 39165
194: ok 39166
194: ok 39167
194: ok 39168
194: ok 39169
194: ok 39170
194: ok 39171
194: ok 39172
194: ok 39173
194: ok 39174
194: ok 39175
194: ok 39176
194: ok 39177
194: ok 39178
194: ok 39179
194: ok 39180
194: ok 39181
194: ok 39182
194: ok 39183
194: ok 39184
194: ok 39185
194: ok 39186
194: ok 39187
194: ok 39188
194: ok 39189
194: ok 39190
194: ok 39191
194: ok 39192
194: ok 39193
194: ok 39194
194: ok 39195
194: ok 39196
194: ok 39197
194: ok 39198
194: ok 39199
194: ok 39200
194: ok 39201
194: ok 39202
194: ok 39203
194: ok 39204
194: ok 39205
194: ok 39206
194: ok 39207
194: ok 39208
194: ok 39209
194: ok 39210
194: ok 39211
194: ok 39212
194: ok 39213
194: ok 39214
194: ok 39215
194: ok 39216
194: ok 39217
194: ok 39218
194: ok 39219
194: ok 39220
194: ok 39221
194: ok 39222
194: ok 39223
194: ok 39224
194: ok 39225
194: ok 39226
194: ok 39227
194: ok 39228
194: ok 39229
194: ok 39230
194: ok 39231
194: ok 39232
194: ok 39233
194: ok 39234
194: ok 39235
194: ok 39236
194: ok 39237
194: ok 39238
194: ok 39239
194: ok 39240
194: ok 39241
194: ok 39242
194: ok 39243
194: ok 39244
194: ok 39245
194: ok 39246
194: ok 39247
194: ok 39248
194: ok 39249
194: ok 39250
194: ok 39251
194: ok 39252
194: ok 39253
194: ok 39254
194: ok 39255
194: ok 39256
194: ok 39257
194: ok 39258
194: ok 39259
194: ok 39260
194: ok 39261
194: ok 39262
194: ok 39263
194: ok 39264
194: ok 39265
194: ok 39266
194: ok 39267
194: ok 39268
194: ok 39269
194: ok 39270
194: ok 39271
194: ok 39272
194: ok 39273
194: ok 39274
194: ok 39275
194: ok 39276
194: ok 39277
194: ok 39278
194: ok 39279
194: ok 39280
194: ok 39281
194: ok 39282
194: ok 39283
194: ok 39284
194: ok 39285
194: ok 39286
194: ok 39287
194: ok 39288
194: ok 39289
194: ok 39290
194: ok 39291
194: ok 39292
194: ok 39293
194: ok 39294
194: ok 39295
194: ok 39296
194: ok 39297
194: ok 39298
194: ok 39299
194: ok 39300
194: ok 39301
194: ok 39302
194: ok 39303
194: ok 39304
194: ok 39305
194: ok 39306
194: ok 39307
194: ok 39308
194: ok 39309
194: ok 39310
194: ok 39311
194: ok 39312
194: ok 39313
194: ok 39314
194: ok 39315
194: ok 39316
194: ok 39317
194: ok 39318
194: ok 39319
194: ok 39320
194: ok 39321
194: ok 39322
194: ok 39323
194: ok 39324
194: ok 39325
194: ok 39326
194: ok 39327
194: ok 39328
194: ok 39329
194: ok 39330
194: ok 39331
194: ok 39332
194: ok 39333
194: ok 39334
194: ok 39335
194: ok 39336
194: ok 39337
194: ok 39338
194: ok 39339
194: ok 39340
194: ok 39341
194: ok 39342
194: ok 39343
194: ok 39344
194: ok 39345
194: ok 39346
194: ok 39347
194: ok 39348
194: ok 39349
194: ok 39350
194: ok 39351
194: ok 39352
194: ok 39353
194: ok 39354
194: ok 39355
194: ok 39356
194: ok 39357
194: ok 39358
194: ok 39359
194: ok 39360
194: ok 39361
194: ok 39362
194: ok 39363
194: ok 39364
194: ok 39365
194: ok 39366
194: ok 39367
194: ok 39368
194: ok 39369
194: ok 39370
194: ok 39371
194: ok 39372
194: ok 39373
194: ok 39374
194: ok 39375
194: ok 39376
194: ok 39377
194: ok 39378
194: ok 39379
194: ok 39380
194: ok 39381
194: ok 39382
194: ok 39383
194: ok 39384
194: ok 39385
194: ok 39386
194: ok 39387
194: ok 39388
194: ok 39389
194: ok 39390
194: ok 39391
194: ok 39392
194: ok 39393
194: ok 39394
194: ok 39395
194: ok 39396
194: ok 39397
194: ok 39398
194: ok 39399
194: ok 39400
194: ok 39401
194: ok 39402
194: ok 39403
194: ok 39404
194: ok 39405
194: ok 39406
194: ok 39407
194: ok 39408
194: ok 39409
194: ok 39410
194: ok 39411
194: ok 39412
194: ok 39413
194: ok 39414
194: ok 39415
194: ok 39416
194: ok 39417
194: ok 39418
194: ok 39419
194: ok 39420
194: ok 39421
194: ok 39422
194: ok 39423
194: ok 39424
194: ok 39425
194: ok 39426
194: ok 39427
194: ok 39428
194: ok 39429
194: ok 39430
194: ok 39431
194: ok 39432
194: ok 39433
194: ok 39434
194: ok 39435
194: ok 39436
194: ok 39437
194: ok 39438
194: ok 39439
194: ok 39440
194: ok 39441
194: ok 39442
194: ok 39443
194: ok 39444
194: ok 39445
194: ok 39446
194: ok 39447
194: ok 39448
194: ok 39449
194: ok 39450
194: ok 39451
194: ok 39452
194: ok 39453
194: ok 39454
194: ok 39455
194: ok 39456
194: ok 39457
194: ok 39458
194: ok 39459
194: ok 39460
194: ok 39461
194: ok 39462
194: ok 39463
194: ok 39464
194: ok 39465
194: ok 39466
194: ok 39467
194: ok 39468
194: ok 39469
194: ok 39470
194: ok 39471
194: ok 39472
194: ok 39473
194: ok 39474
194: ok 39475
194: ok 39476
194: ok 39477
194: ok 39478
194: ok 39479
194: ok 39480
194: ok 39481
194: ok 39482
194: ok 39483
194: ok 39484
194: ok 39485
194: ok 39486
194: ok 39487
194: ok 39488
194: ok 39489
194: ok 39490
194: ok 39491
194: ok 39492
194: ok 39493
194: ok 39494
194: ok 39495
194: ok 39496
194: ok 39497
194: ok 39498
194: ok 39499
194: ok 39500
194: ok 39501
194: ok 39502
194: ok 39503
194: ok 39504
194: ok 39505
194: ok 39506
194: ok 39507
194: ok 39508
194: ok 39509
194: ok 39510
194: ok 39511
194: ok 39512
194: ok 39513
194: ok 39514
194: ok 39515
194: ok 39516
194: ok 39517
194: ok 39518
194: ok 39519
194: ok 39520
194: ok 39521
194: ok 39522
194: ok 39523
194: ok 39524
194: ok 39525
194: ok 39526
194: ok 39527
194: ok 39528
194: ok 39529
194: ok 39530
194: ok 39531
194: ok 39532
194: ok 39533
194: ok 39534
194: ok 39535
194: ok 39536
194: ok 39537
194: ok 39538
194: ok 39539
194: ok 39540
194: ok 39541
194: ok 39542
194: ok 39543
194: ok 39544
194: ok 39545
194: ok 39546
194: ok 39547
194: ok 39548
194: ok 39549
194: ok 39550
194: ok 39551
194: ok 39552
194: ok 39553
194: ok 39554
194: ok 39555
194: ok 39556
194: ok 39557
194: ok 39558
194: ok 39559
194: ok 39560
194: ok 39561
194: ok 39562
194: ok 39563
194: ok 39564
194: ok 39565
194: ok 39566
194: ok 39567
194: ok 39568
194: ok 39569
194: ok 39570
194: ok 39571
194: ok 39572
194: ok 39573
194: ok 39574
194: ok 39575
194: ok 39576
194: ok 39577
194: ok 39578
194: ok 39579
194: ok 39580
194: ok 39581
194: ok 39582
194: ok 39583
194: ok 39584
194: ok 39585
194: ok 39586
194: ok 39587
194: ok 39588
194: ok 39589
194: ok 39590
194: ok 39591
194: ok 39592
194: ok 39593
194: ok 39594
194: ok 39595
194: ok 39596
194: ok 39597
194: ok 39598
194: ok 39599
194: ok 39600
194: ok 39601
194: ok 39602
194: ok 39603
194: ok 39604
194: ok 39605
194: ok 39606
194: ok 39607
194: ok 39608
194: ok 39609
194: ok 39610
194: ok 39611
194: ok 39612
194: ok 39613
194: ok 39614
194: ok 39615
194: ok 39616
194: ok 39617
194: ok 39618
194: ok 39619
194: ok 39620
194: ok 39621
194: ok 39622
194: ok 39623
194: ok 39624
194: ok 39625
194: ok 39626
194: ok 39627
194: ok 39628
194: ok 39629
194: ok 39630
194: ok 39631
194: ok 39632
194: ok 39633
194: ok 39634
194: ok 39635
194: ok 39636
194: ok 39637
194: ok 39638
194: ok 39639
194: ok 39640
194: ok 39641
194: ok 39642
194: ok 39643
194: ok 39644
194: ok 39645
194: ok 39646
194: ok 39647
194: ok 39648
194: ok 39649
194: ok 39650
194: ok 39651
194: ok 39652
194: ok 39653
194: ok 39654
194: ok 39655
194: ok 39656
194: ok 39657
194: ok 39658
194: ok 39659
194: ok 39660
194: ok 39661
194: ok 39662
194: ok 39663
194: ok 39664
194: ok 39665
194: ok 39666
194: ok 39667
194: ok 39668
194: ok 39669
194: ok 39670
194: ok 39671
194: ok 39672
194: ok 39673
194: ok 39674
194: ok 39675
194: ok 39676
194: ok 39677
194: ok 39678
194: ok 39679
194: ok 39680
194: ok 39681
194: ok 39682
194: ok 39683
194: ok 39684
194: ok 39685
194: ok 39686
194: ok 39687
194: ok 39688
194: ok 39689
194: ok 39690
194: ok 39691
194: ok 39692
194: ok 39693
194: ok 39694
194: ok 39695
194: ok 39696
194: ok 39697
194: ok 39698
194: ok 39699
194: ok 39700
194: ok 39701
194: ok 39702
194: ok 39703
194: ok 39704
194: ok 39705
194: ok 39706
194: ok 39707
194: ok 39708
194: ok 39709
194: ok 39710
194: ok 39711
194: ok 39712
194: ok 39713
194: ok 39714
194: ok 39715
194: ok 39716
194: ok 39717
194: ok 39718
194: ok 39719
194: ok 39720
194: ok 39721
194: ok 39722
194: ok 39723
194: ok 39724
194: ok 39725
194: ok 39726
194: ok 39727
194: ok 39728
194: ok 39729
194: ok 39730
194: ok 39731
194: ok 39732
194: ok 39733
194: ok 39734
194: ok 39735
194: ok 39736
194: ok 39737
194: ok 39738
194: ok 39739
194: ok 39740
194: ok 39741
194: ok 39742
194: ok 39743
194: ok 39744
194: ok 39745
194: ok 39746
194: ok 39747
194: ok 39748
194: ok 39749
194: ok 39750
194: ok 39751
194: ok 39752
194: ok 39753
194: ok 39754
194: ok 39755
194: ok 39756
194: ok 39757
194: ok 39758
194: ok 39759
194: ok 39760
194: ok 39761
194: ok 39762
194: ok 39763
194: ok 39764
194: ok 39765
194: ok 39766
194: ok 39767
194: ok 39768
194: ok 39769
194: ok 39770
194: ok 39771
194: ok 39772
194: ok 39773
194: ok 39774
194: ok 39775
194: ok 39776
194: ok 39777
194: ok 39778
194: ok 39779
194: ok 39780
194: ok 39781
194: ok 39782
194: ok 39783
194: ok 39784
194: ok 39785
194: ok 39786
194: ok 39787
194: ok 39788
194: ok 39789
194: ok 39790
194: ok 39791
194: ok 39792
194: ok 39793
194: ok 39794
194: ok 39795
194: ok 39796
194: ok 39797
194: ok 39798
194: ok 39799
194: ok 39800
194: ok 39801
194: ok 39802
194: ok 39803
194: ok 39804
194: ok 39805
194: ok 39806
194: ok 39807
194: ok 39808
194: ok 39809
194: ok 39810
194: ok 39811
194: ok 39812
194: ok 39813
194: ok 39814
194: ok 39815
194: ok 39816
194: ok 39817
194: ok 39818
194: ok 39819
194: ok 39820
194: ok 39821
194: ok 39822
194: ok 39823
194: ok 39824
194: ok 39825
194: ok 39826
194: ok 39827
194: ok 39828
194: ok 39829
194: ok 39830
194: ok 39831
194: ok 39832
194: ok 39833
194: ok 39834
194: ok 39835
194: ok 39836
194: ok 39837
194: ok 39838
194: ok 39839
194: ok 39840
194: ok 39841
194: ok 39842
194: ok 39843
194: ok 39844
194: ok 39845
194: ok 39846
194: ok 39847
194: ok 39848
194: ok 39849
194: ok 39850
194: ok 39851
194: ok 39852
194: ok 39853
194: ok 39854
194: ok 39855
194: ok 39856
194: ok 39857
194: ok 39858
194: ok 39859
194: ok 39860
194: ok 39861
194: ok 39862
194: ok 39863
194: ok 39864
194: ok 39865
194: ok 39866
194: ok 39867
194: ok 39868
194: ok 39869
194: ok 39870
194: ok 39871
194: ok 39872
194: ok 39873
194: ok 39874
194: ok 39875
194: ok 39876
194: ok 39877
194: ok 39878
194: ok 39879
194: ok 39880
194: ok 39881
194: ok 39882
194: ok 39883
194: ok 39884
194: ok 39885
194: ok 39886
194: ok 39887
194: ok 39888
194: ok 39889
194: ok 39890
194: ok 39891
194: ok 39892
194: ok 39893
194: ok 39894
194: ok 39895
194: ok 39896
194: ok 39897
194: ok 39898
194: ok 39899
194: ok 39900
194: ok 39901
194: ok 39902
194: ok 39903
194: ok 39904
194: ok 39905
194: ok 39906
194: ok 39907
194: ok 39908
194: ok 39909
194: ok 39910
194: ok 39911
194: ok 39912
194: ok 39913
194: ok 39914
194: ok 39915
194: ok 39916
194: ok 39917
194: ok 39918
194: ok 39919
194: ok 39920
194: ok 39921
194: ok 39922
194: ok 39923
194: ok 39924
194: ok 39925
194: ok 39926
194: ok 39927
194: ok 39928
194: ok 39929
194: ok 39930
194: ok 39931
194: ok 39932
194: ok 39933
194: ok 39934
194: ok 39935
194: ok 39936
194: ok 39937
194: ok 39938
194: ok 39939
194: ok 39940
194: ok 39941
194: ok 39942
194: ok 39943
194: ok 39944
194: ok 39945
194: ok 39946
194: ok 39947
194: ok 39948
194: ok 39949
194: ok 39950
194: ok 39951
194: ok 39952
194: ok 39953
194: ok 39954
194: ok 39955
194: ok 39956
194: ok 39957
194: ok 39958
194: ok 39959
194: ok 39960
194: ok 39961
194: ok 39962
194: ok 39963
194: ok 39964
194: ok 39965
194: ok 39966
194: ok 39967
194: ok 39968
194: ok 39969
194: ok 39970
194: ok 39971
194: ok 39972
194: ok 39973
194: ok 39974
194: ok 39975
194: ok 39976
194: ok 39977
194: ok 39978
194: ok 39979
194: ok 39980
194: ok 39981
194: ok 39982
194: ok 39983
194: ok 39984
194: ok 39985
194: ok 39986
194: ok 39987
194: ok 39988
194: ok 39989
194: ok 39990
194: ok 39991
194: ok 39992
194: ok 39993
194: ok 39994
194: ok 39995
194: ok 39996
194: ok 39997
194: ok 39998
194: ok 39999
194: ok 40000
194: ok 40001
194: ok 40002
194: ok 40003
194: ok 40004
194: ok 40005
194: ok 40006
194: ok 40007
194: ok 40008
194: ok 40009
194: ok 40010
194: ok 40011
194: ok 40012
194: ok 40013
194: ok 40014
194: ok 40015
194: ok 40016
194: ok 40017
194: ok 40018
194: ok 40019
194: ok 40020
194: ok 40021
194: ok 40022
194: ok 40023
194: ok 40024
194: ok 40025
194: ok 40026
194: ok 40027
194: ok 40028
194: ok 40029
194: ok 40030
194: ok 40031
194: ok 40032
194: ok 40033
194: ok 40034
194: ok 40035
194: ok 40036
194: ok 40037
194: ok 40038
194: ok 40039
194: ok 40040
194: ok 40041
194: ok 40042
194: ok 40043
194: ok 40044
194: ok 40045
194: ok 40046
194: ok 40047
194: ok 40048
194: ok 40049
194: ok 40050
194: ok 40051
194: ok 40052
194: ok 40053
194: ok 40054
194: ok 40055
194: ok 40056
194: ok 40057
194: ok 40058
194: ok 40059
194: ok 40060
194: ok 40061
194: ok 40062
194: ok 40063
194: ok 40064
194: ok 40065
194: ok 40066
194: ok 40067
194: ok 40068
194: ok 40069
194: ok 40070
194: ok 40071
194: ok 40072
194: ok 40073
194: ok 40074
194: ok 40075
194: ok 40076
194: ok 40077
194: ok 40078
194: ok 40079
194: ok 40080
194: ok 40081
194: ok 40082
194: ok 40083
194: ok 40084
194: ok 40085
194: ok 40086
194: ok 40087
194: ok 40088
194: ok 40089
194: ok 40090
194: ok 40091
194: ok 40092
194: ok 40093
194: ok 40094
194: ok 40095
194: ok 40096
194: ok 40097
194: ok 40098
194: ok 40099
194: ok 40100
194: ok 40101
194: ok 40102
194: ok 40103
194: ok 40104
194: ok 40105
194: ok 40106
194: ok 40107
194: ok 40108
194: ok 40109
194: ok 40110
194: ok 40111
194: ok 40112
194: ok 40113
194: ok 40114
194: ok 40115
194: ok 40116
194: ok 40117
194: ok 40118
194: ok 40119
194: ok 40120
194: ok 40121
194: ok 40122
194: ok 40123
194: ok 40124
194: ok 40125
194: ok 40126
194: ok 40127
194: ok 40128
194: ok 40129
194: ok 40130
194: ok 40131
194: ok 40132
194: ok 40133
194: ok 40134
194: ok 40135
194: ok 40136
194: ok 40137
194: ok 40138
194: ok 40139
194: ok 40140
194: ok 40141
194: ok 40142
194: ok 40143
194: ok 40144
194: ok 40145
194: ok 40146
194: ok 40147
194: ok 40148
194: ok 40149
194: ok 40150
194: ok 40151
194: ok 40152
194: ok 40153
194: ok 40154
194: ok 40155
194: ok 40156
194: ok 40157
194: ok 40158
194: ok 40159
194: ok 40160
194: ok 40161
194: ok 40162
194: ok 40163
194: ok 40164
194: ok 40165
194: ok 40166
194: ok 40167
194: ok 40168
194: ok 40169
194: ok 40170
194: ok 40171
194: ok 40172
194: ok 40173
194: ok 40174
194: ok 40175
194: ok 40176
194: ok 40177
194: ok 40178
194: ok 40179
194: ok 40180
194: ok 40181
194: ok 40182
194: ok 40183
194: ok 40184
194: ok 40185
194: ok 40186
194: ok 40187
194: ok 40188
194: ok 40189
194: ok 40190
194: ok 40191
194: ok 40192
194: ok 40193
194: ok 40194
194: ok 40195
194: ok 40196
194: ok 40197
194: ok 40198
194: ok 40199
194: ok 40200
194: ok 40201
194: ok 40202
194: ok 40203
194: ok 40204
194: ok 40205
194: ok 40206
194: ok 40207
194: ok 40208
194: ok 40209
194: ok 40210
194: ok 40211
194: ok 40212
194: ok 40213
194: ok 40214
194: ok 40215
194: ok 40216
194: ok 40217
194: ok 40218
194: ok 40219
194: ok 40220
194: ok 40221
194: ok 40222
194: ok 40223
194: ok 40224
194: ok 40225
194: ok 40226
194: ok 40227
194: ok 40228
194: ok 40229
194: ok 40230
194: ok 40231
194: ok 40232
194: ok 40233
194: ok 40234
194: ok 40235
194: ok 40236
194: ok 40237
194: ok 40238
194: ok 40239
194: ok 40240
194: ok 40241
194: ok 40242
194: ok 40243
194: ok 40244
194: ok 40245
194: ok 40246
194: ok 40247
194: ok 40248
194: ok 40249
194: ok 40250
194: ok 40251
194: ok 40252
194: ok 40253
194: ok 40254
194: ok 40255
194: ok 40256
194: ok 40257
194: ok 40258
194: ok 40259
194: ok 40260
194: ok 40261
194: ok 40262
194: ok 40263
194: ok 40264
194: ok 40265
194: ok 40266
194: ok 40267
194: ok 40268
194: ok 40269
194: ok 40270
194: ok 40271
194: ok 40272
194: ok 40273
194: ok 40274
194: ok 40275
194: ok 40276
194: ok 40277
194: ok 40278
194: ok 40279
194: ok 40280
194: ok 40281
194: ok 40282
194: ok 40283
194: ok 40284
194: ok 40285
194: ok 40286
194: ok 40287
194: ok 40288
194: ok 40289
194: ok 40290
194: ok 40291
194: ok 40292
194: ok 40293
194: ok 40294
194: ok 40295
194: ok 40296
194: ok 40297
194: ok 40298
194: ok 40299
194: ok 40300
194: ok 40301
194: ok 40302
194: ok 40303
194: ok 40304
194: ok 40305
194: ok 40306
194: ok 40307
194: ok 40308
194: ok 40309
194: ok 40310
194: ok 40311
194: ok 40312
194: ok 40313
194: ok 40314
194: ok 40315
194: ok 40316
194: ok 40317
194: ok 40318
194: ok 40319
194: ok 40320
194: ok 40321
194: ok 40322
194: ok 40323
194: ok 40324
194: ok 40325
194: ok 40326
194: ok 40327
194: ok 40328
194: ok 40329
194: ok 40330
194: ok 40331
194: ok 40332
194: ok 40333
194: ok 40334
194: ok 40335
194: ok 40336
194: ok 40337
194: ok 40338
194: ok 40339
194: ok 40340
194: ok 40341
194: ok 40342
194: ok 40343
194: ok 40344
194: ok 40345
194: ok 40346
194: ok 40347
194: ok 40348
194: ok 40349
194: ok 40350
194: ok 40351
194: ok 40352
194: ok 40353
194: ok 40354
194: ok 40355
194: ok 40356
194: ok 40357
194: ok 40358
194: ok 40359
194: ok 40360
194: ok 40361
194: ok 40362
194: ok 40363
194: ok 40364
194: ok 40365
194: ok 40366
194: ok 40367
194: ok 40368
194: ok 40369
194: ok 40370
194: ok 40371
194: ok 40372
194: ok 40373
194: ok 40374
194: ok 40375
194: ok 40376
194: ok 40377
194: ok 40378
194: ok 40379
194: ok 40380
194: ok 40381
194: ok 40382
194: ok 40383
194: ok 40384
194: ok 40385
194: ok 40386
194: ok 40387
194: ok 40388
194: ok 40389
194: ok 40390
194: ok 40391
194: ok 40392
194: ok 40393
194: ok 40394
194: ok 40395
194: ok 40396
194: ok 40397
194: ok 40398
194: ok 40399
194: ok 40400
194: ok 40401
194: ok 40402
194: ok 40403
194: ok 40404
194: ok 40405
194: ok 40406
194: ok 40407
194: ok 40408
194: ok 40409
194: ok 40410
194: ok 40411
194: ok 40412
194: ok 40413
194: ok 40414
194: ok 40415
194: ok 40416
194: ok 40417
194: ok 40418
194: ok 40419
194: ok 40420
194: ok 40421
194: ok 40422
194: ok 40423
194: ok 40424
194: ok 40425
194: ok 40426
194: ok 40427
194: ok 40428
194: ok 40429
194: ok 40430
194: ok 40431
194: ok 40432
194: ok 40433
194: ok 40434
194: ok 40435
194: ok 40436
194: ok 40437
194: ok 40438
194: ok 40439
194: ok 40440
194: ok 40441
194: ok 40442
194: ok 40443
194: ok 40444
194: ok 40445
194: ok 40446
194: ok 40447
194: ok 40448
194: ok 40449
194: ok 40450
194: ok 40451
194: ok 40452
194: ok 40453
194: ok 40454
194: ok 40455
194: ok 40456
194: ok 40457
194: ok 40458
194: ok 40459
194: ok 40460
194: ok 40461
194: ok 40462
194: ok 40463
194: ok 40464
194: ok 40465
194: ok 40466
194: ok 40467
194: ok 40468
194: ok 40469
194: ok 40470
194: ok 40471
194: ok 40472
194: ok 40473
194: ok 40474
194: ok 40475
194: ok 40476
194: ok 40477
194: ok 40478
194: ok 40479
194: ok 40480
194: ok 40481
194: ok 40482
194: ok 40483
194: ok 40484
194: ok 40485
194: ok 40486
194: ok 40487
194: ok 40488
194: ok 40489
194: ok 40490
194: ok 40491
194: ok 40492
194: ok 40493
194: ok 40494
194: ok 40495
194: ok 40496
194: ok 40497
194: ok 40498
194: ok 40499
194: ok 40500
194: ok 40501
194: ok 40502
194: ok 40503
194: ok 40504
194: ok 40505
194: ok 40506
194: ok 40507
194: ok 40508
194: ok 40509
194: ok 40510
194: ok 40511
194: ok 40512
194: ok 40513
194: ok 40514
194: ok 40515
194: ok 40516
194: ok 40517
194: ok 40518
194: ok 40519
194: ok 40520
194: ok 40521
194: ok 40522
194: ok 40523
194: ok 40524
194: ok 40525
194: ok 40526
194: ok 40527
194: ok 40528
194: ok 40529
194: ok 40530
194: ok 40531
194: ok 40532
194: ok 40533
194: ok 40534
194: ok 40535
194: ok 40536
194: ok 40537
194: ok 40538
194: ok 40539
194: ok 40540
194: ok 40541
194: ok 40542
194: ok 40543
194: ok 40544
194: ok 40545
194: ok 40546
194: ok 40547
194: ok 40548
194: ok 40549
194: ok 40550
194: ok 40551
194: ok 40552
194: ok 40553
194: ok 40554
194: ok 40555
194: ok 40556
194: ok 40557
194: ok 40558
194: ok 40559
194: ok 40560
194: ok 40561
194: ok 40562
194: ok 40563
194: ok 40564
194: ok 40565
194: ok 40566
194: ok 40567
194: ok 40568
194: ok 40569
194: ok 40570
194: ok 40571
194: ok 40572
194: ok 40573
194: ok 40574
194: ok 40575
194: ok 40576
194: ok 40577
194: ok 40578
194: ok 40579
194: ok 40580
194: ok 40581
194: ok 40582
194: ok 40583
194: ok 40584
194: ok 40585
194: ok 40586
194: ok 40587
194: ok 40588
194: ok 40589
194: ok 40590
194: ok 40591
194: ok 40592
194: ok 40593
194: ok 40594
194: ok 40595
194: ok 40596
194: ok 40597
194: ok 40598
194: ok 40599
194: ok 40600
194: ok 40601
194: ok 40602
194: ok 40603
194: ok 40604
194: ok 40605
194: ok 40606
194: ok 40607
194: ok 40608
194: ok 40609
194: ok 40610
194: ok 40611
194: ok 40612
194: ok 40613
194: ok 40614
194: ok 40615
194: ok 40616
194: ok 40617
194: ok 40618
194: ok 40619
194: ok 40620
194: ok 40621
194: ok 40622
194: ok 40623
194: ok 40624
194: ok 40625
194: ok 40626
194: ok 40627
194: ok 40628
194: ok 40629
194: ok 40630
194: ok 40631
194: ok 40632
194: ok 40633
194: ok 40634
194: ok 40635
194: ok 40636
194: ok 40637
194: ok 40638
194: ok 40639
194: ok 40640
194: ok 40641
194: ok 40642
194: ok 40643
194: ok 40644
194: ok 40645
194: ok 40646
194: ok 40647
194: ok 40648
194: ok 40649
194: ok 40650
194: ok 40651
194: ok 40652
194: ok 40653
194: ok 40654
194: ok 40655
194: ok 40656
194: ok 40657
194: ok 40658
194: ok 40659
194: ok 40660
194: ok 40661
194: ok 40662
194: ok 40663
194: ok 40664
194: ok 40665
194: ok 40666
194: ok 40667
194: ok 40668
194: ok 40669
194: ok 40670
194: ok 40671
194: ok 40672
194: ok 40673
194: ok 40674
194: ok 40675
194: ok 40676
194: ok 40677
194: ok 40678
194: ok 40679
194: ok 40680
194: ok 40681
194: ok 40682
194: ok 40683
194: ok 40684
194: ok 40685
194: ok 40686
194: ok 40687
194: ok 40688
194: ok 40689
194: ok 40690
194: ok 40691
194: ok 40692
194: ok 40693
194: ok 40694
194: ok 40695
194: ok 40696
194: ok 40697
194: ok 40698
194: ok 40699
194: ok 40700
194: ok 40701
194: ok 40702
194: ok 40703
194: ok 40704
194: ok 40705
194: ok 40706
194: ok 40707
194: ok 40708
194: ok 40709
194: ok 40710
194: ok 40711
194: ok 40712
194: ok 40713
194: ok 40714
194: ok 40715
194: ok 40716
194: ok 40717
194: ok 40718
194: ok 40719
194: ok 40720
194: ok 40721
194: ok 40722
194: ok 40723
194: ok 40724
194: ok 40725
194: ok 40726
194: ok 40727
194: ok 40728
194: ok 40729
194: ok 40730
194: ok 40731
194: ok 40732
194: ok 40733
194: ok 40734
194: ok 40735
194: ok 40736
194: ok 40737
194: ok 40738
194: ok 40739
194: ok 40740
194: ok 40741
194: ok 40742
194: ok 40743
194: ok 40744
194: ok 40745
194: ok 40746
194: ok 40747
194: ok 40748
194: ok 40749
194: ok 40750
194: ok 40751
194: ok 40752
194: ok 40753
194: ok 40754
194: ok 40755
194: ok 40756
194: ok 40757
194: ok 40758
194: ok 40759
194: ok 40760
194: ok 40761
194: ok 40762
194: ok 40763
194: ok 40764
194: ok 40765
194: ok 40766
194: ok 40767
194: ok 40768
194: ok 40769
194: ok 40770
194: ok 40771
194: ok 40772
194: ok 40773
194: ok 40774
194: ok 40775
194: ok 40776
194: ok 40777
194: ok 40778
194: ok 40779
194: ok 40780
194: ok 40781
194: ok 40782
194: ok 40783
194: ok 40784
194: ok 40785
194: ok 40786
194: ok 40787
194: ok 40788
194: ok 40789
194: ok 40790
194: ok 40791
194: ok 40792
194: ok 40793
194: ok 40794
194: ok 40795
194: ok 40796
194: ok 40797
194: ok 40798
194: ok 40799
194: ok 40800
194: ok 40801
194: ok 40802
194: ok 40803
194: ok 40804
194: ok 40805
194: ok 40806
194: ok 40807
194: ok 40808
194: ok 40809
194: ok 40810
194: ok 40811
194: ok 40812
194: ok 40813
194: ok 40814
194: ok 40815
194: ok 40816
194: ok 40817
194: ok 40818
194: ok 40819
194: ok 40820
194: ok 40821
194: ok 40822
194: ok 40823
194: ok 40824
194: ok 40825
194: ok 40826
194: ok 40827
194: ok 40828
194: ok 40829
194: ok 40830
194: ok 40831
194: ok 40832
194: ok 40833
194: ok 40834
194: ok 40835
194: ok 40836
194: ok 40837
194: ok 40838
194: ok 40839
194: ok 40840
194: ok 40841
194: ok 40842
194: ok 40843
194: ok 40844
194: ok 40845
194: ok 40846
194: ok 40847
194: ok 40848
194: ok 40849
194: ok 40850
194: ok 40851
194: ok 40852
194: ok 40853
194: ok 40854
194: ok 40855
194: ok 40856
194: ok 40857
194: ok 40858
194: ok 40859
194: ok 40860
194: ok 40861
194: ok 40862
194: ok 40863
194: ok 40864
194: ok 40865
194: ok 40866
194: ok 40867
194: ok 40868
194: ok 40869
194: ok 40870
194: ok 40871
194: ok 40872
194: ok 40873
194: ok 40874
194: ok 40875
194: ok 40876
194: ok 40877
194: ok 40878
194: ok 40879
194: ok 40880
194: ok 40881
194: ok 40882
194: ok 40883
194: ok 40884
194: ok 40885
194: ok 40886
194: ok 40887
194: ok 40888
194: ok 40889
194: ok 40890
194: ok 40891
194: ok 40892
194: ok 40893
194: ok 40894
194: ok 40895
194: ok 40896
194: ok 40897
194: ok 40898
194: ok 40899
194: ok 40900
194: ok 40901
194: ok 40902
194: ok 40903
194: ok 40904
194: ok 40905
194: ok 40906
194: ok 40907
194: ok 40908
194: ok 40909
194: ok 40910
194: ok 40911
194: ok 40912
194: ok 40913
194: ok 40914
194: ok 40915
194: ok 40916
194: ok 40917
194: ok 40918
194: ok 40919
194: ok 40920
194: ok 40921
194: ok 40922
194: ok 40923
194: ok 40924
194: ok 40925
194: ok 40926
194: ok 40927
194: ok 40928
194: ok 40929
194: ok 40930
194: ok 40931
194: ok 40932
194: ok 40933
194: ok 40934
194: ok 40935
194: ok 40936
194: ok 40937
194: ok 40938
194: ok 40939
194: ok 40940
194: ok 40941
194: ok 40942
194: ok 40943
194: ok 40944
194: ok 40945
194: ok 40946
194: ok 40947
194: ok 40948
194: ok 40949
194: ok 40950
194: ok 40951
194: ok 40952
194: ok 40953
194: ok 40954
194: ok 40955
194: ok 40956
194: ok 40957
194: ok 40958
194: ok 40959
194: ok 40960
194: ok 40961
194: ok 40962
194: ok 40963
194: ok 40964
194: ok 40965
194: ok 40966
194: ok 40967
194: ok 40968
194: ok 40969
194: ok 40970
194: ok 40971
194: ok 40972
194: ok 40973
194: ok 40974
194: ok 40975
194: ok 40976
194: ok 40977
194: ok 40978
194: ok 40979
194: ok 40980
194: ok 40981
194: ok 40982
194: ok 40983
194: ok 40984
194: ok 40985
194: ok 40986
194: ok 40987
194: ok 40988
194: ok 40989
194: ok 40990
194: ok 40991
194: ok 40992
194: ok 40993
194: ok 40994
194: ok 40995
194: ok 40996
194: ok 40997
194: ok 40998
194: ok 40999
194: ok 41000
194: ok 41001
194: ok 41002
194: ok 41003
194: ok 41004
194: ok 41005
194: ok 41006
194: ok 41007
194: ok 41008
194: ok 41009
194: ok 41010
194: ok 41011
194: ok 41012
194: ok 41013
194: ok 41014
194: ok 41015
194: ok 41016
194: ok 41017
194: ok 41018
194: ok 41019
194: ok 41020
194: ok 41021
194: ok 41022
194: ok 41023
194: ok 41024
194: ok 41025
194: ok 41026
194: ok 41027
194: ok 41028
194: ok 41029
194: ok 41030
194: ok 41031
194: ok 41032
194: ok 41033
194: ok 41034
194: ok 41035
194: ok 41036
194: ok 41037
194: ok 41038
194: ok 41039
194: ok 41040
194: ok 41041
194: ok 41042
194: ok 41043
194: ok 41044
194: ok 41045
194: ok 41046
194: ok 41047
194: ok 41048
194: ok 41049
194: ok 41050
194: ok 41051
194: ok 41052
194: ok 41053
194: ok 41054
194: ok 41055
194: ok 41056
194: ok 41057
194: ok 41058
194: ok 41059
194: ok 41060
194: ok 41061
194: ok 41062
194: ok 41063
194: ok 41064
194: ok 41065
194: ok 41066
194: ok 41067
194: ok 41068
194: ok 41069
194: ok 41070
194: ok 41071
194: ok 41072
194: ok 41073
194: ok 41074
194: ok 41075
194: ok 41076
194: ok 41077
194: ok 41078
194: ok 41079
194: ok 41080
194: ok 41081
194: ok 41082
194: ok 41083
194: ok 41084
194: ok 41085
194: ok 41086
194: ok 41087
194: ok 41088
194: ok 41089
194: ok 41090
194: ok 41091
194: ok 41092
194: ok 41093
194: ok 41094
194: ok 41095
194: ok 41096
194: ok 41097
194: ok 41098
194: ok 41099
194: ok 41100
194: ok 41101
194: ok 41102
194: ok 41103
194: ok 41104
194: ok 41105
194: ok 41106
194: ok 41107
194: ok 41108
194: ok 41109
194: ok 41110
194: ok 41111
194: ok 41112
194: ok 41113
194: ok 41114
194: ok 41115
194: ok 41116
194: ok 41117
194: ok 41118
194: ok 41119
194: ok 41120
194: ok 41121
194: ok 41122
194: ok 41123
194: ok 41124
194: ok 41125
194: ok 41126
194: ok 41127
194: ok 41128
194: ok 41129
194: ok 41130
194: ok 41131
194: ok 41132
194: ok 41133
194: ok 41134
194: ok 41135
194: ok 41136
194: ok 41137
194: ok 41138
194: ok 41139
194: ok 41140
194: ok 41141
194: ok 41142
194: ok 41143
194: ok 41144
194: ok 41145
194: ok 41146
194: ok 41147
194: ok 41148
194: ok 41149
194: ok 41150
194: ok 41151
194: ok 41152
194: ok 41153
194: ok 41154
194: ok 41155
194: ok 41156
194: ok 41157
194: ok 41158
194: ok 41159
194: ok 41160
194: ok 41161
194: ok 41162
194: ok 41163
194: ok 41164
194: ok 41165
194: ok 41166
194: ok 41167
194: ok 41168
194: ok 41169
194: ok 41170
194: ok 41171
194: ok 41172
194: ok 41173
194: ok 41174
194: ok 41175
194: ok 41176
194: ok 41177
194: ok 41178
194: ok 41179
194: ok 41180
194: ok 41181
194: ok 41182
194: ok 41183
194: ok 41184
194: ok 41185
194: ok 41186
194: ok 41187
194: ok 41188
194: ok 41189
194: ok 41190
194: ok 41191
194: ok 41192
194: ok 41193
194: ok 41194
194: ok 41195
194: ok 41196
194: ok 41197
194: ok 41198
194: ok 41199
194: ok 41200
194: ok 41201
194: ok 41202
194: ok 41203
194: ok 41204
194: ok 41205
194: ok 41206
194: ok 41207
194: ok 41208
194: ok 41209
194: ok 41210
194: ok 41211
194: ok 41212
194: ok 41213
194: ok 41214
194: ok 41215
194: ok 41216
194: ok 41217
194: ok 41218
194: ok 41219
194: ok 41220
194: ok 41221
194: ok 41222
194: ok 41223
194: ok 41224
194: ok 41225
194: ok 41226
194: ok 41227
194: ok 41228
194: ok 41229
194: ok 41230
194: ok 41231
194: ok 41232
194: ok 41233
194: ok 41234
194: ok 41235
194: ok 41236
194: ok 41237
194: ok 41238
194: ok 41239
194: ok 41240
194: ok 41241
194: ok 41242
194: ok 41243
194: ok 41244
194: ok 41245
194: ok 41246
194: ok 41247
194: ok 41248
194: ok 41249
194: ok 41250
194: ok 41251
194: ok 41252
194: ok 41253
194: ok 41254
194: ok 41255
194: ok 41256
194: ok 41257
194: ok 41258
194: ok 41259
194: ok 41260
194: ok 41261
194: ok 41262
194: ok 41263
194: ok 41264
194: ok 41265
194: ok 41266
194: ok 41267
194: ok 41268
194: ok 41269
194: ok 41270
194: ok 41271
194: ok 41272
194: ok 41273
194: ok 41274
194: ok 41275
194: ok 41276
194: ok 41277
194: ok 41278
194: ok 41279
194: ok 41280
194: ok 41281
194: ok 41282
194: ok 41283
194: ok 41284
194: ok 41285
194: ok 41286
194: ok 41287
194: ok 41288
194: ok 41289
194: ok 41290
194: ok 41291
194: ok 41292
194: ok 41293
194: ok 41294
194: ok 41295
194: ok 41296
194: ok 41297
194: ok 41298
194: ok 41299
194: ok 41300
194: ok 41301
194: ok 41302
194: ok 41303
194: ok 41304
194: ok 41305
194: ok 41306
194: ok 41307
194: ok 41308
194: ok 41309
194: ok 41310
194: ok 41311
194: ok 41312
194: ok 41313
194: ok 41314
194: ok 41315
194: ok 41316
194: ok 41317
194: ok 41318
194: ok 41319
194: ok 41320
194: ok 41321
194: ok 41322
194: ok 41323
194: ok 41324
194: ok 41325
194: ok 41326
194: ok 41327
194: ok 41328
194: ok 41329
194: ok 41330
194: ok 41331
194: ok 41332
194: ok 41333
194: ok 41334
194: ok 41335
194: ok 41336
194: ok 41337
194: ok 41338
194: ok 41339
194: ok 41340
194: ok 41341
194: ok 41342
194: ok 41343
194: ok 41344
194: ok 41345
194: ok 41346
194: ok 41347
194: ok 41348
194: ok 41349
194: ok 41350
194: ok 41351
194: ok 41352
194: ok 41353
194: ok 41354
194: ok 41355
194: ok 41356
194: ok 41357
194: ok 41358
194: ok 41359
194: ok 41360
194: ok 41361
194: ok 41362
194: ok 41363
194: ok 41364
194: ok 41365
194: ok 41366
194: ok 41367
194: ok 41368
194: ok 41369
194: ok 41370
194: ok 41371
194: ok 41372
194: ok 41373
194: ok 41374
194: ok 41375
194: ok 41376
194: ok 41377
194: ok 41378
194: ok 41379
194: ok 41380
194: ok 41381
194: ok 41382
194: ok 41383
194: ok 41384
194: ok 41385
194: ok 41386
194: ok 41387
194: ok 41388
194: ok 41389
194: ok 41390
194: ok 41391
194: ok 41392
194: ok 41393
194: ok 41394
194: ok 41395
194: ok 41396
194: ok 41397
194: ok 41398
194: ok 41399
194: ok 41400
194: ok 41401
194: ok 41402
194: ok 41403
194: ok 41404
194: ok 41405
194: ok 41406
194: ok 41407
194: ok 41408
194: ok 41409
194: ok 41410
194: ok 41411
194: ok 41412
194: ok 41413
194: ok 41414
194: ok 41415
194: ok 41416
194: ok 41417
194: ok 41418
194: ok 41419
194: ok 41420
194: ok 41421
194: ok 41422
194: ok 41423
194: ok 41424
194: ok 41425
194: ok 41426
194: ok 41427
194: ok 41428
194: ok 41429
194: ok 41430
194: ok 41431
194: ok 41432
194: ok 41433
194: ok 41434
194: ok 41435
194: ok 41436
194: ok 41437
194: ok 41438
194: ok 41439
194: ok 41440
194: ok 41441
194: ok 41442
194: ok 41443
194: ok 41444
194: ok 41445
194: ok 41446
194: ok 41447
194: ok 41448
194: ok 41449
194: ok 41450
194: ok 41451
194: ok 41452
194: ok 41453
194: ok 41454
194: ok 41455
194: ok 41456
194: ok 41457
194: ok 41458
194: ok 41459
194: ok 41460
194: ok 41461
194: ok 41462
194: ok 41463
194: ok 41464
194: ok 41465
194: ok 41466
194: ok 41467
194: ok 41468
194: ok 41469
194: ok 41470
194: ok 41471
194: ok 41472
194: ok 41473
194: ok 41474
194: ok 41475
194: ok 41476
194: ok 41477
194: ok 41478
194: ok 41479
194: ok 41480
194: ok 41481
194: ok 41482
194: ok 41483
194: ok 41484
194: ok 41485
194: ok 41486
194: ok 41487
194: ok 41488
194: ok 41489
194: ok 41490
194: ok 41491
194: ok 41492
194: ok 41493
194: ok 41494
194: ok 41495
194: ok 41496
194: ok 41497
194: ok 41498
194: ok 41499
194: ok 41500
194: ok 41501
194: ok 41502
194: ok 41503
194: ok 41504
194: ok 41505
194: ok 41506
194: ok 41507
194: ok 41508
194: ok 41509
194: ok 41510
194: ok 41511
194: ok 41512
194: ok 41513
194: ok 41514
194: ok 41515
194: ok 41516
194: ok 41517
194: ok 41518
194: ok 41519
194: ok 41520
194: ok 41521
194: ok 41522
194: ok 41523
194: ok 41524
194: ok 41525
194: ok 41526
194: ok 41527
194: ok 41528
194: ok 41529
194: ok 41530
194: ok 41531
194: ok 41532
194: ok 41533
194: ok 41534
194: ok 41535
194: ok 41536
194: ok 41537
194: ok 41538
194: ok 41539
194: ok 41540
194: ok 41541
194: ok 41542
194: ok 41543
194: ok 41544
194: ok 41545
194: ok 41546
194: ok 41547
194: ok 41548
194: ok 41549
194: ok 41550
194: ok 41551
194: ok 41552
194: ok 41553
194: ok 41554
194: ok 41555
194: ok 41556
194: ok 41557
194: ok 41558
194: ok 41559
194: ok 41560
194: ok 41561
194: ok 41562
194: ok 41563
194: ok 41564
194: ok 41565
194: ok 41566
194: ok 41567
194: ok 41568
194: ok 41569
194: ok 41570
194: ok 41571
194: ok 41572
194: ok 41573
194: ok 41574
194: ok 41575
194: ok 41576
194: ok 41577
194: ok 41578
194: ok 41579
194: ok 41580
194: ok 41581
194: ok 41582
194: ok 41583
194: ok 41584
194: ok 41585
194: ok 41586
194: ok 41587
194: ok 41588
194: ok 41589
194: ok 41590
194: ok 41591
194: ok 41592
194: ok 41593
194: ok 41594
194: ok 41595
194: ok 41596
194: ok 41597
194: ok 41598
194: ok 41599
194: ok 41600
194: ok 41601
194: ok 41602
194: ok 41603
194: ok 41604
194: ok 41605
194: ok 41606
194: ok 41607
194: ok 41608
194: ok 41609
194: ok 41610
194: ok 41611
194: ok 41612
194: ok 41613
194: ok 41614
194: ok 41615
194: ok 41616
194: ok 41617
194: ok 41618
194: ok 41619
194: ok 41620
194: ok 41621
194: ok 41622
194: ok 41623
194: ok 41624
194: ok 41625
194: ok 41626
194: ok 41627
194: ok 41628
194: ok 41629
194: ok 41630
194: ok 41631
194: ok 41632
194: ok 41633
194: ok 41634
194: ok 41635
194: ok 41636
194: ok 41637
194: ok 41638
194: ok 41639
194: ok 41640
194: ok 41641
194: ok 41642
194: ok 41643
194: ok 41644
194: ok 41645
194: ok 41646
194: ok 41647
194: ok 41648
194: ok 41649
194: ok 41650
194: ok 41651
194: ok 41652
194: ok 41653
194: ok 41654
194: ok 41655
194: ok 41656
194: ok 41657
194: ok 41658
194: ok 41659
194: ok 41660
194: ok 41661
194: ok 41662
194: ok 41663
194: ok 41664
194: ok 41665
194: ok 41666
194: ok 41667
194: ok 41668
194: ok 41669
194: ok 41670
194: ok 41671
194: ok 41672
194: ok 41673
194: ok 41674
194: ok 41675
194: ok 41676
194: ok 41677
194: ok 41678
194: ok 41679
194: ok 41680
194: ok 41681
194: ok 41682
194: ok 41683
194: ok 41684
194: ok 41685
194: ok 41686
194: ok 41687
194: ok 41688
194: ok 41689
194: ok 41690
194: ok 41691
194: ok 41692
194: ok 41693
194: ok 41694
194: ok 41695
194: ok 41696
194: ok 41697
194: ok 41698
194: ok 41699
194: ok 41700
194: ok 41701
194: ok 41702
194: ok 41703
194: ok 41704
194: ok 41705
194: ok 41706
194: ok 41707
194: ok 41708
194: ok 41709
194: ok 41710
194: ok 41711
194: ok 41712
194: ok 41713
194: ok 41714
194: ok 41715
194: ok 41716
194: ok 41717
194: ok 41718
194: ok 41719
194: ok 41720
194: ok 41721
194: ok 41722
194: ok 41723
194: ok 41724
194: ok 41725
194: ok 41726
194: ok 41727
194: ok 41728
194: ok 41729
194: ok 41730
194: ok 41731
194: ok 41732
194: ok 41733
194: ok 41734
194: ok 41735
194: ok 41736
194: ok 41737
194: ok 41738
194: ok 41739
194: ok 41740
194: ok 41741
194: ok 41742
194: ok 41743
194: ok 41744
194: ok 41745
194: ok 41746
194: ok 41747
194: ok 41748
194: ok 41749
194: ok 41750
194: ok 41751
194: ok 41752
194: ok 41753
194: ok 41754
194: ok 41755
194: ok 41756
194: ok 41757
194: ok 41758
194: ok 41759
194: ok 41760
194: ok 41761
194: ok 41762
194: ok 41763
194: ok 41764
194: ok 41765
194: ok 41766
194: ok 41767
194: ok 41768
194: ok 41769
194: ok 41770
194: ok 41771
194: ok 41772
194: ok 41773
194: ok 41774
194: ok 41775
194: ok 41776
194: ok 41777
194: ok 41778
194: ok 41779
194: ok 41780
194: ok 41781
194: ok 41782
194: ok 41783
194: ok 41784
194: ok 41785
194: ok 41786
194: ok 41787
194: ok 41788
194: ok 41789
194: ok 41790
194: ok 41791
194: ok 41792
194: ok 41793
194: ok 41794
194: ok 41795
194: ok 41796
194: ok 41797
194: ok 41798
194: ok 41799
194: ok 41800
194: ok 41801
194: ok 41802
194: ok 41803
194: ok 41804
194: ok 41805
194: ok 41806
194: ok 41807
194: ok 41808
194: ok 41809
194: ok 41810
194: ok 41811
194: ok 41812
194: ok 41813
194: ok 41814
194: ok 41815
194: ok 41816
194: ok 41817
194: ok 41818
194: ok 41819
194: ok 41820
194: ok 41821
194: ok 41822
194: ok 41823
194: ok 41824
194: ok 41825
194: ok 41826
194: ok 41827
194: ok 41828
194: ok 41829
194: ok 41830
194: ok 41831
194: ok 41832
194: ok 41833
194: ok 41834
194: ok 41835
194: ok 41836
194: ok 41837
194: ok 41838
194: ok 41839
194: ok 41840
194: ok 41841
194: ok 41842
194: ok 41843
194: ok 41844
194: ok 41845
194: ok 41846
194: ok 41847
194: ok 41848
194: ok 41849
194: ok 41850
194: ok 41851
194: ok 41852
194: ok 41853
194: ok 41854
194: ok 41855
194: ok 41856
194: ok 41857
194: ok 41858
194: ok 41859
194: ok 41860
194: ok 41861
194: ok 41862
194: ok 41863
194: ok 41864
194: ok 41865
194: ok 41866
194: ok 41867
194: ok 41868
194: ok 41869
194: ok 41870
194: ok 41871
194: ok 41872
194: ok 41873
194: ok 41874
194: ok 41875
194: ok 41876
194: ok 41877
194: ok 41878
194: ok 41879
194: ok 41880
194: ok 41881
194: ok 41882
194: ok 41883
194: ok 41884
194: ok 41885
194: ok 41886
194: ok 41887
194: ok 41888
194: ok 41889
194: ok 41890
194: ok 41891
194: ok 41892
194: ok 41893
194: ok 41894
194: ok 41895
194: ok 41896
194: ok 41897
194: ok 41898
194: ok 41899
194: ok 41900
194: ok 41901
194: ok 41902
194: ok 41903
194: ok 41904
194: ok 41905
194: ok 41906
194: ok 41907
194: ok 41908
194: ok 41909
194: ok 41910
194: ok 41911
194: ok 41912
194: ok 41913
194: ok 41914
194: ok 41915
194: ok 41916
194: ok 41917
194: ok 41918
194: ok 41919
194: ok 41920
194: ok 41921
194: ok 41922
194: ok 41923
194: ok 41924
194: ok 41925
194: ok 41926
194: ok 41927
194: ok 41928
194: ok 41929
194: ok 41930
194: ok 41931
194: ok 41932
194: ok 41933
194: ok 41934
194: ok 41935
194: ok 41936
194: ok 41937
194: ok 41938
194: ok 41939
194: ok 41940
194: ok 41941
194: ok 41942
194: ok 41943
194: ok 41944
194: ok 41945
194: ok 41946
194: ok 41947
194: ok 41948
194: ok 41949
194: ok 41950
194: ok 41951
194: ok 41952
194: ok 41953
194: ok 41954
194: ok 41955
194: ok 41956
194: ok 41957
194: ok 41958
194: ok 41959
194: ok 41960
194: ok 41961
194: ok 41962
194: ok 41963
194: ok 41964
194: ok 41965
194: ok 41966
194: ok 41967
194: ok 41968
194: ok 41969
194: ok 41970
194: ok 41971
194: ok 41972
194: ok 41973
194: ok 41974
194: ok 41975
194: ok 41976
194: ok 41977
194: ok 41978
194: ok 41979
194: ok 41980
194: ok 41981
194: ok 41982
194: ok 41983
194: ok 41984
194: ok 41985
194: ok 41986
194: ok 41987
194: ok 41988
194: ok 41989
194: ok 41990
194: ok 41991
194: ok 41992
194: ok 41993
194: ok 41994
194: ok 41995
194: ok 41996
194: ok 41997
194: ok 41998
194: ok 41999
194: ok 42000
194: ok 42001
194: ok 42002
194: ok 42003
194: ok 42004
194: ok 42005
194: ok 42006
194: ok 42007
194: ok 42008
194: ok 42009
194: ok 42010
194: ok 42011
194: ok 42012
194: ok 42013
194: ok 42014
194: ok 42015
194: ok 42016
194: ok 42017
194: ok 42018
194: ok 42019
194: ok 42020
194: ok 42021
194: ok 42022
194: ok 42023
194: ok 42024
194: ok 42025
194: ok 42026
194: ok 42027
194: ok 42028
194: ok 42029
194: ok 42030
194: ok 42031
194: ok 42032
194: ok 42033
194: ok 42034
194: ok 42035
194: ok 42036
194: ok 42037
194: ok 42038
194: ok 42039
194: ok 42040
194: ok 42041
194: ok 42042
194: ok 42043
194: ok 42044
194: ok 42045
194: ok 42046
194: ok 42047
194: ok 42048
194: ok 42049
194: ok 42050
194: ok 42051
194: ok 42052
194: ok 42053
194: ok 42054
194: ok 42055
194: ok 42056
194: ok 42057
194: ok 42058
194: ok 42059
194: ok 42060
194: ok 42061
194: ok 42062
194: ok 42063
194: ok 42064
194: ok 42065
194: ok 42066
194: ok 42067
194: ok 42068
194: ok 42069
194: ok 42070
194: ok 42071
194: ok 42072
194: ok 42073
194: ok 42074
194: ok 42075
194: ok 42076
194: ok 42077
194: ok 42078
194: ok 42079
194: ok 42080
194: ok 42081
194: ok 42082
194: ok 42083
194: ok 42084
194: ok 42085
194: ok 42086
194: ok 42087
194: ok 42088
194: ok 42089
194: ok 42090
194: ok 42091
194: ok 42092
194: ok 42093
194: ok 42094
194: ok 42095
194: ok 42096
194: ok 42097
194: ok 42098
194: ok 42099
194: ok 42100
194: ok 42101
194: ok 42102
194: ok 42103
194: ok 42104
194: ok 42105
194: ok 42106
194: ok 42107
194: ok 42108
194: ok 42109
194: ok 42110
194: ok 42111
194: ok 42112
194: ok 42113
194: ok 42114
194: ok 42115
194: ok 42116
194: ok 42117
194: ok 42118
194: ok 42119
194: ok 42120
194: ok 42121
194: ok 42122
194: ok 42123
194: ok 42124
194: ok 42125
194: ok 42126
194: ok 42127
194: ok 42128
194: ok 42129
194: ok 42130
194: ok 42131
194: ok 42132
194: ok 42133
194: ok 42134
194: ok 42135
194: ok 42136
194: ok 42137
194: ok 42138
194: ok 42139
194: ok 42140
194: ok 42141
194: ok 42142
194: ok 42143
194: ok 42144
194: ok 42145
194: ok 42146
194: ok 42147
194: ok 42148
194: ok 42149
194: ok 42150
194: ok 42151
194: ok 42152
194: ok 42153
194: ok 42154
194: ok 42155
194: ok 42156
194: ok 42157
194: ok 42158
194: ok 42159
194: ok 42160
194: ok 42161
194: ok 42162
194: ok 42163
194: ok 42164
194: ok 42165
194: ok 42166
194: ok 42167
194: ok 42168
194: ok 42169
194: ok 42170
194: ok 42171
194: ok 42172
194: ok 42173
194: ok 42174
194: ok 42175
194: ok 42176
194: ok 42177
194: ok 42178
194: ok 42179
194: ok 42180
194: ok 42181
194: ok 42182
194: ok 42183
194: ok 42184
194: ok 42185
194: ok 42186
194: ok 42187
194: ok 42188
194: ok 42189
194: ok 42190
194: ok 42191
194: ok 42192
194: ok 42193
194: ok 42194
194: ok 42195
194: ok 42196
194: ok 42197
194: ok 42198
194: ok 42199
194: ok 42200
194: ok 42201
194: ok 42202
194: ok 42203
194: ok 42204
194: ok 42205
194: ok 42206
194: ok 42207
194: ok 42208
194: ok 42209
194: ok 42210
194: ok 42211
194: ok 42212
194: ok 42213
194: ok 42214
194: ok 42215
194: ok 42216
194: ok 42217
194: ok 42218
194: ok 42219
194: ok 42220
194: ok 42221
194: ok 42222
194: ok 42223
194: ok 42224
194: ok 42225
194: ok 42226
194: ok 42227
194: ok 42228
194: ok 42229
194: ok 42230
194: ok 42231
194: ok 42232
194: ok 42233
194: ok 42234
194: ok 42235
194: ok 42236
194: ok 42237
194: ok 42238
194: ok 42239
194: ok 42240
194: ok 42241
194: ok 42242
194: ok 42243
194: ok 42244
194: ok 42245
194: ok 42246
194: ok 42247
194: ok 42248
194: ok 42249
194: ok 42250
194: ok 42251
194: ok 42252
194: ok 42253
194: ok 42254
194: ok 42255
194: ok 42256
194: ok 42257
194: ok 42258
194: ok 42259
194: ok 42260
194: ok 42261
194: ok 42262
194: ok 42263
194: ok 42264
194: ok 42265
194: ok 42266
194: ok 42267
194: ok 42268
194: ok 42269
194: ok 42270
194: ok 42271
194: ok 42272
194: ok 42273
194: ok 42274
194: ok 42275
194: ok 42276
194: ok 42277
194: ok 42278
194: ok 42279
194: ok 42280
194: ok 42281
194: ok 42282
194: ok 42283
194: ok 42284
194: ok 42285
194: ok 42286
194: ok 42287
194: ok 42288
194: ok 42289
194: ok 42290
194: ok 42291
194: ok 42292
194: ok 42293
194: ok 42294
194: ok 42295
194: ok 42296
194: ok 42297
194: ok 42298
194: ok 42299
194: ok 42300
194: ok 42301
194: ok 42302
194: ok 42303
194: ok 42304
194: ok 42305
194: ok 42306
194: ok 42307
194: ok 42308
194: ok 42309
194: ok 42310
194: ok 42311
194: ok 42312
194: ok 42313
194: ok 42314
194: ok 42315
194: ok 42316
194: ok 42317
194: ok 42318
194: ok 42319
194: ok 42320
194: ok 42321
194: ok 42322
194: ok 42323
194: ok 42324
194: ok 42325
194: ok 42326
194: ok 42327
194: ok 42328
194: ok 42329
194: ok 42330
194: ok 42331
194: ok 42332
194: ok 42333
194: ok 42334
194: ok 42335
194: ok 42336
194: ok 42337
194: ok 42338
194: ok 42339
194: ok 42340
194: ok 42341
194: ok 42342
194: ok 42343
194: ok 42344
194: ok 42345
194: ok 42346
194: ok 42347
194: ok 42348
194: ok 42349
194: ok 42350
194: ok 42351
194: ok 42352
194: ok 42353
194: ok 42354
194: ok 42355
194: ok 42356
194: ok 42357
194: ok 42358
194: ok 42359
194: ok 42360
194: ok 42361
194: ok 42362
194: ok 42363
194: ok 42364
194: ok 42365
194: ok 42366
194: ok 42367
194: ok 42368
194: ok 42369
194: ok 42370
194: ok 42371
194: ok 42372
194: ok 42373
194: ok 42374
194: ok 42375
194: ok 42376
194: ok 42377
194: ok 42378
194: ok 42379
194: ok 42380
194: ok 42381
194: ok 42382
194: ok 42383
194: ok 42384
194: ok 42385
194: ok 42386
194: ok 42387
194: ok 42388
194: ok 42389
194: ok 42390
194: ok 42391
194: ok 42392
194: ok 42393
194: ok 42394
194: ok 42395
194: ok 42396
194: ok 42397
194: ok 42398
194: ok 42399
194: ok 42400
194: ok 42401
194: ok 42402
194: ok 42403
194: ok 42404
194: ok 42405
194: ok 42406
194: ok 42407
194: ok 42408
194: ok 42409
194: ok 42410
194: ok 42411
194: ok 42412
194: ok 42413
194: ok 42414
194: ok 42415
194: ok 42416
194: ok 42417
194: ok 42418
194: ok 42419
194: ok 42420
194: ok 42421
194: ok 42422
194: ok 42423
194: ok 42424
194: ok 42425
194: ok 42426
194: ok 42427
194: ok 42428
194: ok 42429
194: ok 42430
194: ok 42431
194: ok 42432
194: ok 42433
194: ok 42434
194: ok 42435
194: ok 42436
194: ok 42437
194: ok 42438
194: ok 42439
194: ok 42440
194: ok 42441
194: ok 42442
194: ok 42443
194: ok 42444
194: ok 42445
194: ok 42446
194: ok 42447
194: ok 42448
194: ok 42449
194: ok 42450
194: ok 42451
194: ok 42452
194: ok 42453
194: ok 42454
194: ok 42455
194: ok 42456
194: ok 42457
194: ok 42458
194: ok 42459
194: ok 42460
194: ok 42461
194: ok 42462
194: ok 42463
194: ok 42464
194: ok 42465
194: ok 42466
194: ok 42467
194: ok 42468
194: ok 42469
194: ok 42470
194: ok 42471
194: ok 42472
194: ok 42473
194: ok 42474
194: ok 42475
194: ok 42476
194: ok 42477
194: ok 42478
194: ok 42479
194: ok 42480
194: ok 42481
194: ok 42482
194: ok 42483
194: ok 42484
194: ok 42485
194: ok 42486
194: ok 42487
194: ok 42488
194: ok 42489
194: ok 42490
194: ok 42491
194: ok 42492
194: ok 42493
194: ok 42494
194: ok 42495
194: ok 42496
194: ok 42497
194: ok 42498
194: ok 42499
194: ok 42500
194: ok 42501
194: ok 42502
194: ok 42503
194: ok 42504
194: ok 42505
194: ok 42506
194: ok 42507
194: ok 42508
194: ok 42509
194: ok 42510
194: ok 42511
194: ok 42512
194: ok 42513
194: ok 42514
194: ok 42515
194: ok 42516
194: ok 42517
194: ok 42518
194: ok 42519
194: ok 42520
194: ok 42521
194: ok 42522
194: ok 42523
194: ok 42524
194: ok 42525
194: ok 42526
194: ok 42527
194: ok 42528
194: ok 42529
194: ok 42530
194: ok 42531
194: ok 42532
194: ok 42533
194: ok 42534
194: ok 42535
194: ok 42536
194: ok 42537
194: ok 42538
194: ok 42539
194: ok 42540
194: ok 42541
194: ok 42542
194: ok 42543
194: ok 42544
194: ok 42545
194: ok 42546
194: ok 42547
194: ok 42548
194: ok 42549
194: ok 42550
194: ok 42551
194: ok 42552
194: ok 42553
194: ok 42554
194: ok 42555
194: ok 42556
194: ok 42557
194: ok 42558
194: ok 42559
194: ok 42560
194: ok 42561
194: ok 42562
194: ok 42563
194: ok 42564
194: ok 42565
194: ok 42566
194: ok 42567
194: ok 42568
194: ok 42569
194: ok 42570
194: ok 42571
194: ok 42572
194: ok 42573
194: ok 42574
194: ok 42575
194: ok 42576
194: ok 42577
194: ok 42578
194: ok 42579
194: ok 42580
194: ok 42581
194: ok 42582
194: ok 42583
194: ok 42584
194: ok 42585
194: ok 42586
194: ok 42587
194: ok 42588
194: ok 42589
194: ok 42590
194: ok 42591
194: ok 42592
194: ok 42593
194: ok 42594
194: ok 42595
194: ok 42596
194: ok 42597
194: ok 42598
194: ok 42599
194: ok 42600
194: ok 42601
194: ok 42602
194: ok 42603
194: ok 42604
194: ok 42605
194: ok 42606
194: ok 42607
194: ok 42608
194: ok 42609
194: ok 42610
194: ok 42611
194: ok 42612
194: ok 42613
194: ok 42614
194: ok 42615
194: ok 42616
194: ok 42617
194: ok 42618
194: ok 42619
194: ok 42620
194: ok 42621
194: ok 42622
194: ok 42623
194: ok 42624
194: ok 42625
194: ok 42626
194: ok 42627
194: ok 42628
194: ok 42629
194: ok 42630
194: ok 42631
194: ok 42632
194: ok 42633
194: ok 42634
194: ok 42635
194: ok 42636
194: ok 42637
194: ok 42638
194: ok 42639
194: ok 42640
194: ok 42641
194: ok 42642
194: ok 42643
194: ok 42644
194: ok 42645
194: ok 42646
194: ok 42647
194: ok 42648
194: ok 42649
194: ok 42650
194: ok 42651
194: ok 42652
194: ok 42653
194: ok 42654
194: ok 42655
194: ok 42656
194: ok 42657
194: ok 42658
194: ok 42659
194: ok 42660
194: ok 42661
194: ok 42662
194: ok 42663
194: ok 42664
194: ok 42665
194: ok 42666
194: ok 42667
194: ok 42668
194: ok 42669
194: ok 42670
194: ok 42671
194: ok 42672
194: ok 42673
194: ok 42674
194: ok 42675
194: ok 42676
194: ok 42677
194: ok 42678
194: ok 42679
194: ok 42680
194: ok 42681
194: ok 42682
194: ok 42683
194: ok 42684
194: ok 42685
194: ok 42686
194: ok 42687
194: ok 42688
194: ok 42689
194: ok 42690
194: ok 42691
194: ok 42692
194: ok 42693
194: ok 42694
194: ok 42695
194: ok 42696
194: ok 42697
194: ok 42698
194: ok 42699
194: ok 42700
194: ok 42701
194: ok 42702
194: ok 42703
194: ok 42704
194: ok 42705
194: ok 42706
194: ok 42707
194: ok 42708
194: ok 42709
194: ok 42710
194: ok 42711
194: ok 42712
194: ok 42713
194: ok 42714
194: ok 42715
194: ok 42716
194: ok 42717
194: ok 42718
194: ok 42719
194: ok 42720
194: ok 42721
194: ok 42722
194: ok 42723
194: ok 42724
194: ok 42725
194: ok 42726
194: ok 42727
194: ok 42728
194: ok 42729
194: ok 42730
194: ok 42731
194: ok 42732
194: ok 42733
194: ok 42734
194: ok 42735
194: ok 42736
194: ok 42737
194: ok 42738
194: ok 42739
194: ok 42740
194: ok 42741
194: ok 42742
194: ok 42743
194: ok 42744
194: ok 42745
194: ok 42746
194: ok 42747
194: ok 42748
194: ok 42749
194: ok 42750
194: ok 42751
194: ok 42752
194: ok 42753
194: ok 42754
194: ok 42755
194: ok 42756
194: ok 42757
194: ok 42758
194: ok 42759
194: ok 42760
194: ok 42761
194: ok 42762
194: ok 42763
194: ok 42764
194: ok 42765
194: ok 42766
194: ok 42767
194: ok 42768
194: ok 42769
194: ok 42770
194: ok 42771
194: ok 42772
194: ok 42773
194: ok 42774
194: ok 42775
194: ok 42776
194: ok 42777
194: ok 42778
194: ok 42779
194: ok 42780
194: ok 42781
194: ok 42782
194: ok 42783
194: ok 42784
194: ok 42785
194: ok 42786
194: ok 42787
194: ok 42788
194: ok 42789
194: ok 42790
194: ok 42791
194: ok 42792
194: ok 42793
194: ok 42794
194: ok 42795
194: ok 42796
194: ok 42797
194: ok 42798
194: ok 42799
194: ok 42800
194: ok 42801
194: ok 42802
194: ok 42803
194: ok 42804
194: ok 42805
194: ok 42806
194: ok 42807
194: ok 42808
194: ok 42809
194: ok 42810
194: ok 42811
194: ok 42812
194: ok 42813
194: ok 42814
194: ok 42815
194: ok 42816
194: ok 42817
194: ok 42818
194: ok 42819
194: ok 42820
194: ok 42821
194: ok 42822
194: ok 42823
194: ok 42824
194: ok 42825
194: ok 42826
194: ok 42827
194: ok 42828
194: ok 42829
194: ok 42830
194: ok 42831
194: ok 42832
194: ok 42833
194: ok 42834
194: ok 42835
194: ok 42836
194: ok 42837
194: ok 42838
194: ok 42839
194: ok 42840
194: ok 42841
194: ok 42842
194: ok 42843
194: ok 42844
194: ok 42845
194: ok 42846
194: ok 42847
194: ok 42848
194: ok 42849
194: ok 42850
194: ok 42851
194: ok 42852
194: ok 42853
194: ok 42854
194: ok 42855
194: ok 42856
194: ok 42857
194: ok 42858
194: ok 42859
194: ok 42860
194: ok 42861
194: ok 42862
194: ok 42863
194: ok 42864
194: ok 42865
194: ok 42866
194: ok 42867
194: ok 42868
194: ok 42869
194: ok 42870
194: ok 42871
194: ok 42872
194: ok 42873
194: ok 42874
194: ok 42875
194: ok 42876
194: ok 42877
194: ok 42878
194: ok 42879
194: ok 42880
194: ok 42881
194: ok 42882
194: ok 42883
194: ok 42884
194: ok 42885
194: ok 42886
194: ok 42887
194: ok 42888
194: ok 42889
194: ok 42890
194: ok 42891
194: ok 42892
194: ok 42893
194: ok 42894
194: ok 42895
194: ok 42896
194: ok 42897
194: ok 42898
194: ok 42899
194: ok 42900
194: ok 42901
194: ok 42902
194: ok 42903
194: ok 42904
194: ok 42905
194: ok 42906
194: ok 42907
194: ok 42908
194: ok 42909
194: ok 42910
194: ok 42911
194: ok 42912
194: ok 42913
194: ok 42914
194: ok 42915
194: ok 42916
194: ok 42917
194: ok 42918
194: ok 42919
194: ok 42920
194: ok 42921
194: ok 42922
194: ok 42923
194: ok 42924
194: ok 42925
194: ok 42926
194: ok 42927
194: ok 42928
194: ok 42929
194: ok 42930
194: ok 42931
194: ok 42932
194: ok 42933
194: ok 42934
194: ok 42935
194: ok 42936
194: ok 42937
194: ok 42938
194: ok 42939
194: ok 42940
194: ok 42941
194: ok 42942
194: ok 42943
194: ok 42944
194: ok 42945
194: ok 42946
194: ok 42947
194: ok 42948
194: ok 42949
194: ok 42950
194: ok 42951
194: ok 42952
194: ok 42953
194: ok 42954
194: ok 42955
194: ok 42956
194: ok 42957
194: ok 42958
194: ok 42959
194: ok 42960
194: ok 42961
194: ok 42962
194: ok 42963
194: ok 42964
194: ok 42965
194: ok 42966
194: ok 42967
194: ok 42968
194: ok 42969
194: ok 42970
194: ok 42971
194: ok 42972
194: ok 42973
194: ok 42974
194: ok 42975
194: ok 42976
194: ok 42977
194: ok 42978
194: ok 42979
194: ok 42980
194: ok 42981
194: ok 42982
194: ok 42983
194: ok 42984
194: ok 42985
194: ok 42986
194: ok 42987
194: ok 42988
194: ok 42989
194: ok 42990
194: ok 42991
194: ok 42992
194: ok 42993
194: ok 42994
194: ok 42995
194: ok 42996
194: ok 42997
194: ok 42998
194: ok 42999
194: ok 43000
194: ok 43001
194: ok 43002
194: ok 43003
194: ok 43004
194: ok 43005
194: ok 43006
194: ok 43007
194: ok 43008
194: ok 43009
194: ok 43010
194: ok 43011
194: ok 43012
194: ok 43013
194: ok 43014
194: ok 43015
194: ok 43016
194: ok 43017
194: ok 43018
194: ok 43019
194: ok 43020
194: ok 43021
194: ok 43022
194: ok 43023
194: ok 43024
194: ok 43025
194: ok 43026
194: ok 43027
194: ok 43028
194: ok 43029
194: ok 43030
194: ok 43031
194: ok 43032
194: ok 43033
194: ok 43034
194: ok 43035
194: ok 43036
194: ok 43037
194: ok 43038
194: ok 43039
194: ok 43040
194: ok 43041
194: ok 43042
194: ok 43043
194: ok 43044
194: ok 43045
194: ok 43046
194: ok 43047
194: ok 43048
194: ok 43049
194: ok 43050
194: ok 43051
194: ok 43052
194: ok 43053
194: ok 43054
194: ok 43055
194: ok 43056
194: ok 43057
194: ok 43058
194: ok 43059
194: ok 43060
194: ok 43061
194: ok 43062
194: ok 43063
194: ok 43064
194: ok 43065
194: ok 43066
194: ok 43067
194: ok 43068
194: ok 43069
194: ok 43070
194: ok 43071
194: ok 43072
194: ok 43073
194: ok 43074
194: ok 43075
194: ok 43076
194: ok 43077
194: ok 43078
194: ok 43079
194: ok 43080
194: ok 43081
194: ok 43082
194: ok 43083
194: ok 43084
194: ok 43085
194: ok 43086
194: ok 43087
194: ok 43088
194: ok 43089
194: ok 43090
194: ok 43091
194: ok 43092
194: ok 43093
194: ok 43094
194: ok 43095
194: ok 43096
194: ok 43097
194: ok 43098
194: ok 43099
194: ok 43100
194: ok 43101
194: ok 43102
194: ok 43103
194: ok 43104
194: ok 43105
194: ok 43106
194: ok 43107
194: ok 43108
194: ok 43109
194: ok 43110
194: ok 43111
194: ok 43112
194: ok 43113
194: ok 43114
194: ok 43115
194: ok 43116
194: ok 43117
194: ok 43118
194: ok 43119
194: ok 43120
194: ok 43121
194: ok 43122
194: ok 43123
194: ok 43124
194: ok 43125
194: ok 43126
194: ok 43127
194: ok 43128
194: ok 43129
194: ok 43130
194: ok 43131
194: ok 43132
194: ok 43133
194: ok 43134
194: ok 43135
194: ok 43136
194: ok 43137
194: ok 43138
194: ok 43139
194: ok 43140
194: ok 43141
194: ok 43142
194: ok 43143
194: ok 43144
194: ok 43145
194: ok 43146
194: ok 43147
194: ok 43148
194: ok 43149
194: ok 43150
194: ok 43151
194: ok 43152
194: ok 43153
194: ok 43154
194: ok 43155
194: ok 43156
194: ok 43157
194: ok 43158
194: ok 43159
194: ok 43160
194: ok 43161
194: ok 43162
194: ok 43163
194: ok 43164
194: ok 43165
194: ok 43166
194: ok 43167
194: ok 43168
194: ok 43169
194: ok 43170
194: ok 43171
194: ok 43172
194: ok 43173
194: ok 43174
194: ok 43175
194: ok 43176
194: ok 43177
194: ok 43178
194: ok 43179
194: ok 43180
194: ok 43181
194: ok 43182
194: ok 43183
194: ok 43184
194: ok 43185
194: ok 43186
194: ok 43187
194: ok 43188
194: ok 43189
194: ok 43190
194: ok 43191
194: ok 43192
194: ok 43193
194: ok 43194
194: ok 43195
194: ok 43196
194: ok 43197
194: ok 43198
194: ok 43199
194: ok 43200
194: ok 43201
194: ok 43202
194: ok 43203
194: ok 43204
194: ok 43205
194: ok 43206
194: ok 43207
194: ok 43208
194: ok 43209
194: ok 43210
194: ok 43211
194: ok 43212
194: ok 43213
194: ok 43214
194: ok 43215
194: ok 43216
194: ok 43217
194: ok 43218
194: ok 43219
194: ok 43220
194: ok 43221
194: ok 43222
194: ok 43223
194: ok 43224
194: ok 43225
194: ok 43226
194: ok 43227
194: ok 43228
194: ok 43229
194: ok 43230
194: ok 43231
194: ok 43232
194: ok 43233
194: ok 43234
194: ok 43235
194: ok 43236
194: ok 43237
194: ok 43238
194: ok 43239
194: ok 43240
194: ok 43241
194: ok 43242
194: ok 43243
194: ok 43244
194: ok 43245
194: ok 43246
194: ok 43247
194: ok 43248
194: ok 43249
194: ok 43250
194: ok 43251
194: ok 43252
194: ok 43253
194: ok 43254
194: ok 43255
194: ok 43256
194: ok 43257
194: ok 43258
194: ok 43259
194: ok 43260
194: ok 43261
194: ok 43262
194: ok 43263
194: ok 43264
194: ok 43265
194: ok 43266
194: ok 43267
194: ok 43268
194: ok 43269
194: ok 43270
194: ok 43271
194: ok 43272
194: ok 43273
194: ok 43274
194: ok 43275
194: ok 43276
194: ok 43277
194: ok 43278
194: ok 43279
194: ok 43280
194: ok 43281
194: ok 43282
194: ok 43283
194: ok 43284
194: ok 43285
194: ok 43286
194: ok 43287
194: ok 43288
194: ok 43289
194: ok 43290
194: ok 43291
194: ok 43292
194: ok 43293
194: ok 43294
194: ok 43295
194: ok 43296
194: ok 43297
194: ok 43298
194: ok 43299
194: ok 43300
194: ok 43301
194: ok 43302
194: ok 43303
194: ok 43304
194: ok 43305
194: ok 43306
194: ok 43307
194: ok 43308
194: ok 43309
194: ok 43310
194: ok 43311
194: ok 43312
194: ok 43313
194: ok 43314
194: ok 43315
194: ok 43316
194: ok 43317
194: ok 43318
194: ok 43319
194: ok 43320
194: ok 43321
194: ok 43322
194: ok 43323
194: ok 43324
194: ok 43325
194: ok 43326
194: ok 43327
194: ok 43328
194: ok 43329
194: ok 43330
194: ok 43331
194: ok 43332
194: ok 43333
194: ok 43334
194: ok 43335
194: ok 43336
194: ok 43337
194: ok 43338
194: ok 43339
194: ok 43340
194: ok 43341
194: ok 43342
194: ok 43343
194: ok 43344
194: ok 43345
194: ok 43346
194: ok 43347
194: ok 43348
194: ok 43349
194: ok 43350
194: ok 43351
194: ok 43352
194: ok 43353
194: ok 43354
194: ok 43355
194: ok 43356
194: ok 43357
194: ok 43358
194: ok 43359
194: ok 43360
194: ok 43361
194: ok 43362
194: ok 43363
194: ok 43364
194: ok 43365
194: ok 43366
194: ok 43367
194: ok 43368
194: ok 43369
194: ok 43370
194: ok 43371
194: ok 43372
194: ok 43373
194: ok 43374
194: ok 43375
194: ok 43376
194: ok 43377
194: ok 43378
194: ok 43379
194: ok 43380
194: ok 43381
194: ok 43382
194: ok 43383
194: ok 43384
194: ok 43385
194: ok 43386
194: ok 43387
194: ok 43388
194: ok 43389
194: ok 43390
194: ok 43391
194: ok 43392
194: ok 43393
194: ok 43394
194: ok 43395
194: ok 43396
194: ok 43397
194: ok 43398
194: ok 43399
194: ok 43400
194: ok 43401
194: ok 43402
194: ok 43403
194: ok 43404
194: ok 43405
194: ok 43406
194: ok 43407
194: ok 43408
194: ok 43409
194: ok 43410
194: ok 43411
194: ok 43412
194: ok 43413
194: ok 43414
194: ok 43415
194: ok 43416
194: ok 43417
194: ok 43418
194: ok 43419
194: ok 43420
194: ok 43421
194: ok 43422
194: ok 43423
194: ok 43424
194: ok 43425
194: ok 43426
194: ok 43427
194: ok 43428
194: ok 43429
194: ok 43430
194: ok 43431
194: ok 43432
194: ok 43433
194: ok 43434
194: ok 43435
194: ok 43436
194: ok 43437
194: ok 43438
194: ok 43439
194: ok 43440
194: ok 43441
194: ok 43442
194: ok 43443
194: ok 43444
194: ok 43445
194: ok 43446
194: ok 43447
194: ok 43448
194: ok 43449
194: ok 43450
194: ok 43451
194: ok 43452
194: ok 43453
194: ok 43454
194: ok 43455
194: ok 43456
194: ok 43457
194: ok 43458
194: ok 43459
194: ok 43460
194: ok 43461
194: ok 43462
194: ok 43463
194: ok 43464
194: ok 43465
194: ok 43466
194: ok 43467
194: ok 43468
194: ok 43469
194: ok 43470
194: ok 43471
194: ok 43472
194: ok 43473
194: ok 43474
194: ok 43475
194: ok 43476
194: ok 43477
194: ok 43478
194: ok 43479
194: ok 43480
194: ok 43481
194: ok 43482
194: ok 43483
194: ok 43484
194: ok 43485
194: ok 43486
194: ok 43487
194: ok 43488
194: ok 43489
194: ok 43490
194: ok 43491
194: ok 43492
194: ok 43493
194: ok 43494
194: ok 43495
194: ok 43496
194: ok 43497
194: ok 43498
194: ok 43499
194: ok 43500
194: ok 43501
194: ok 43502
194: ok 43503
194: ok 43504
194: ok 43505
194: ok 43506
194: ok 43507
194: ok 43508
194: ok 43509
194: ok 43510
194: ok 43511
194: ok 43512
194: ok 43513
194: ok 43514
194: ok 43515
194: ok 43516
194: ok 43517
194: ok 43518
194: ok 43519
194: ok 43520
194: ok 43521
194: ok 43522
194: ok 43523
194: ok 43524
194: ok 43525
194: ok 43526
194: ok 43527
194: ok 43528
194: ok 43529
194: ok 43530
194: ok 43531
194: ok 43532
194: ok 43533
194: ok 43534
194: ok 43535
194: ok 43536
194: ok 43537
194: ok 43538
194: ok 43539
194: ok 43540
194: ok 43541
194: ok 43542
194: ok 43543
194: ok 43544
194: ok 43545
194: ok 43546
194: ok 43547
194: ok 43548
194: ok 43549
194: ok 43550
194: ok 43551
194: ok 43552
194: ok 43553
194: ok 43554
194: ok 43555
194: ok 43556
194: ok 43557
194: ok 43558
194: ok 43559
194: ok 43560
194: ok 43561
194: ok 43562
194: ok 43563
194: ok 43564
194: ok 43565
194: ok 43566
194: ok 43567
194: ok 43568
194: ok 43569
194: ok 43570
194: ok 43571
194: ok 43572
194: ok 43573
194: ok 43574
194: ok 43575
194: ok 43576
194: ok 43577
194: ok 43578
194: ok 43579
194: ok 43580
194: ok 43581
194: ok 43582
194: ok 43583
194: ok 43584
194: ok 43585
194: ok 43586
194: ok 43587
194: ok 43588
194: ok 43589
194: ok 43590
194: ok 43591
194: ok 43592
194: ok 43593
194: ok 43594
194: ok 43595
194: ok 43596
194: ok 43597
194: ok 43598
194: ok 43599
194: ok 43600
194: ok 43601
194: ok 43602
194: ok 43603
194: ok 43604
194: ok 43605
194: ok 43606
194: ok 43607
194: ok 43608
194: ok 43609
194: ok 43610
194: ok 43611
194: ok 43612
194: ok 43613
194: ok 43614
194: ok 43615
194: ok 43616
194: ok 43617
194: ok 43618
194: ok 43619
194: ok 43620
194: ok 43621
194: ok 43622
194: ok 43623
194: ok 43624
194: ok 43625
194: ok 43626
194: ok 43627
194: ok 43628
194: ok 43629
194: ok 43630
194: ok 43631
194: ok 43632
194: ok 43633
194: ok 43634
194: ok 43635
194: ok 43636
194: ok 43637
194: ok 43638
194: ok 43639
194: ok 43640
194: ok 43641
194: ok 43642
194: ok 43643
194: ok 43644
194: ok 43645
194: ok 43646
194: ok 43647
194: ok 43648
194: ok 43649
194: ok 43650
194: ok 43651
194: ok 43652
194: ok 43653
194: ok 43654
194: ok 43655
194: ok 43656
194: ok 43657
194: ok 43658
194: ok 43659
194: ok 43660
194: ok 43661
194: ok 43662
194: ok 43663
194: ok 43664
194: ok 43665
194: ok 43666
194: ok 43667
194: ok 43668
194: ok 43669
194: ok 43670
194: ok 43671
194: ok 43672
194: ok 43673
194: ok 43674
194: ok 43675
194: ok 43676
194: ok 43677
194: ok 43678
194: ok 43679
194: ok 43680
194: ok 43681
194: ok 43682
194: ok 43683
194: ok 43684
194: ok 43685
194: ok 43686
194: ok 43687
194: ok 43688
194: ok 43689
194: ok 43690
194: ok 43691
194: ok 43692
194: ok 43693
194: ok 43694
194: ok 43695
194: ok 43696
194: ok 43697
194: ok 43698
194: ok 43699
194: ok 43700
194: ok 43701
194: ok 43702
194: ok 43703
194: ok 43704
194: ok 43705
194: ok 43706
194: ok 43707
194: ok 43708
194: ok 43709
194: ok 43710
194: ok 43711
194: ok 43712
194: ok 43713
194: ok 43714
194: ok 43715
194: ok 43716
194: ok 43717
194: ok 43718
194: ok 43719
194: ok 43720
194: ok 43721
194: ok 43722
194: ok 43723
194: ok 43724
194: ok 43725
194: ok 43726
194: ok 43727
194: ok 43728
194: ok 43729
194: ok 43730
194: ok 43731
194: ok 43732
194: ok 43733
194: ok 43734
194: ok 43735
194: ok 43736
194: ok 43737
194: ok 43738
194: ok 43739
194: ok 43740
194: ok 43741
194: ok 43742
194: ok 43743
194: ok 43744
194: ok 43745
194: ok 43746
194: ok 43747
194: ok 43748
194: ok 43749
194: ok 43750
194: ok 43751
194: ok 43752
194: ok 43753
194: ok 43754
194: ok 43755
194: ok 43756
194: ok 43757
194: ok 43758
194: ok 43759
194: ok 43760
194: ok 43761
194: ok 43762
194: ok 43763
194: ok 43764
194: ok 43765
194: ok 43766
194: ok 43767
194: ok 43768
194: ok 43769
194: ok 43770
194: ok 43771
194: ok 43772
194: ok 43773
194: ok 43774
194: ok 43775
194: ok 43776
194: ok 43777
194: ok 43778
194: ok 43779
194: ok 43780
194: ok 43781
194: ok 43782
194: ok 43783
194: ok 43784
194: ok 43785
194: ok 43786
194: ok 43787
194: ok 43788
194: ok 43789
194: ok 43790
194: ok 43791
194: ok 43792
194: ok 43793
194: ok 43794
194: ok 43795
194: ok 43796
194: ok 43797
194: ok 43798
194: ok 43799
194: ok 43800
194: ok 43801
194: ok 43802
194: ok 43803
194: ok 43804
194: ok 43805
194: ok 43806
194: ok 43807
194: ok 43808
194: ok 43809
194: ok 43810
194: ok 43811
194: ok 43812
194: ok 43813
194: ok 43814
194: ok 43815
194: ok 43816
194: ok 43817
194: ok 43818
194: ok 43819
194: ok 43820
194: ok 43821
194: ok 43822
194: ok 43823
194: ok 43824
194: ok 43825
194: ok 43826
194: ok 43827
194: ok 43828
194: ok 43829
194: ok 43830
194: ok 43831
194: ok 43832
194: ok 43833
194: ok 43834
194: ok 43835
194: ok 43836
194: ok 43837
194: ok 43838
194: ok 43839
194: ok 43840
194: ok 43841
194: ok 43842
194: ok 43843
194: ok 43844
194: ok 43845
194: ok 43846
194: ok 43847
194: ok 43848
194: ok 43849
194: ok 43850
194: ok 43851
194: ok 43852
194: ok 43853
194: ok 43854
194: ok 43855
194: ok 43856
194: ok 43857
194: ok 43858
194: ok 43859
194: ok 43860
194: ok 43861
194: ok 43862
194: ok 43863
194: ok 43864
194: ok 43865
194: ok 43866
194: ok 43867
194: ok 43868
194: ok 43869
194: ok 43870
194: ok 43871
194: ok 43872
194: ok 43873
194: ok 43874
194: ok 43875
194: ok 43876
194: ok 43877
194: ok 43878
194: ok 43879
194: ok 43880
194: ok 43881
194: ok 43882
194: ok 43883
194: ok 43884
194: ok 43885
194: ok 43886
194: ok 43887
194: ok 43888
194: ok 43889
194: ok 43890
194: ok 43891
194: ok 43892
194: ok 43893
194: ok 43894
194: ok 43895
194: ok 43896
194: ok 43897
194: ok 43898
194: ok 43899
194: ok 43900
194: ok 43901
194: ok 43902
194: ok 43903
194: ok 43904
194: ok 43905
194: ok 43906
194: ok 43907
194: ok 43908
194: ok 43909
194: ok 43910
194: ok 43911
194: ok 43912
194: ok 43913
194: ok 43914
194: ok 43915
194: ok 43916
194: ok 43917
194: ok 43918
194: ok 43919
194: ok 43920
194: ok 43921
194: ok 43922
194: ok 43923
194: ok 43924
194: ok 43925
194: ok 43926
194: ok 43927
194: ok 43928
194: ok 43929
194: ok 43930
194: ok 43931
194: ok 43932
194: ok 43933
194: ok 43934
194: ok 43935
194: ok 43936
194: ok 43937
194: ok 43938
194: ok 43939
194: ok 43940
194: ok 43941
194: ok 43942
194: ok 43943
194: ok 43944
194: ok 43945
194: ok 43946
194: ok 43947
194: ok 43948
194: ok 43949
194: ok 43950
194: ok 43951
194: ok 43952
194: ok 43953
194: ok 43954
194: ok 43955
194: ok 43956
194: ok 43957
194: ok 43958
194: ok 43959
194: ok 43960
194: ok 43961
194: ok 43962
194: ok 43963
194: ok 43964
194: ok 43965
194: ok 43966
194: ok 43967
194: ok 43968
194: ok 43969
194: ok 43970
194: ok 43971
194: ok 43972
194: ok 43973
194: ok 43974
194: ok 43975
194: ok 43976
194: ok 43977
194: ok 43978
194: ok 43979
194: ok 43980
194: ok 43981
194: ok 43982
194: ok 43983
194: ok 43984
194: ok 43985
194: ok 43986
194: ok 43987
194: ok 43988
194: ok 43989
194: ok 43990
194: ok 43991
194: ok 43992
194: ok 43993
194: ok 43994
194: ok 43995
194: ok 43996
194: ok 43997
194: ok 43998
194: ok 43999
194: ok 44000
194: ok 44001
194: ok 44002
194: ok 44003
194: ok 44004
194: ok 44005
194: ok 44006
194: ok 44007
194: ok 44008
194: ok 44009
194: ok 44010
194: ok 44011
194: ok 44012
194: ok 44013
194: ok 44014
194: ok 44015
194: ok 44016
194: ok 44017
194: ok 44018
194: ok 44019
194: ok 44020
194: ok 44021
194: ok 44022
194: ok 44023
194: ok 44024
194: ok 44025
194: ok 44026
194: ok 44027
194: ok 44028
194: ok 44029
194: ok 44030
194: ok 44031
194: ok 44032
194: ok 44033
194: ok 44034
194: ok 44035
194: ok 44036
194: ok 44037
194: ok 44038
194: ok 44039
194: ok 44040
194: ok 44041
194: ok 44042
194: ok 44043
194: ok 44044
194: ok 44045
194: ok 44046
194: ok 44047
194: ok 44048
194: ok 44049
194: ok 44050
194: ok 44051
194: ok 44052
194: ok 44053
194: ok 44054
194: ok 44055
194: ok 44056
194: ok 44057
194: ok 44058
194: ok 44059
194: ok 44060
194: ok 44061
194: ok 44062
194: ok 44063
194: ok 44064
194: ok 44065
194: ok 44066
194: ok 44067
194: ok 44068
194: ok 44069
194: ok 44070
194: ok 44071
194: ok 44072
194: ok 44073
194: ok 44074
194: ok 44075
194: ok 44076
194: ok 44077
194: ok 44078
194: ok 44079
194: ok 44080
194: ok 44081
194: ok 44082
194: ok 44083
194: ok 44084
194: ok 44085
194: ok 44086
194: ok 44087
194: ok 44088
194: ok 44089
194: ok 44090
194: ok 44091
194: ok 44092
194: ok 44093
194: ok 44094
194: ok 44095
194: ok 44096
194: ok 44097
194: ok 44098
194: ok 44099
194: ok 44100
194: ok 44101
194: ok 44102
194: ok 44103
194: ok 44104
194: ok 44105
194: ok 44106
194: ok 44107
194: ok 44108
194: ok 44109
194: ok 44110
194: ok 44111
194: ok 44112
194: ok 44113
194: ok 44114
194: ok 44115
194: ok 44116
194: ok 44117
194: ok 44118
194: ok 44119
194: ok 44120
194: ok 44121
194: ok 44122
194: ok 44123
194: ok 44124
194: ok 44125
194: ok 44126
194: ok 44127
194: ok 44128
194: ok 44129
194: ok 44130
194: ok 44131
194: ok 44132
194: ok 44133
194: ok 44134
194: ok 44135
194: ok 44136
194: ok 44137
194: ok 44138
194: ok 44139
194: ok 44140
194: ok 44141
194: ok 44142
194: ok 44143
194: ok 44144
194: ok 44145
194: ok 44146
194: ok 44147
194: ok 44148
194: ok 44149
194: ok 44150
194: ok 44151
194: ok 44152
194: ok 44153
194: ok 44154
194: ok 44155
194: ok 44156
194: ok 44157
194: ok 44158
194: ok 44159
194: ok 44160
194: ok 44161
194: ok 44162
194: ok 44163
194: ok 44164
194: ok 44165
194: ok 44166
194: ok 44167
194: ok 44168
194: ok 44169
194: ok 44170
194: ok 44171
194: ok 44172
194: ok 44173
194: ok 44174
194: ok 44175
194: ok 44176
194: ok 44177
194: ok 44178
194: ok 44179
194: ok 44180
194: ok 44181
194: ok 44182
194: ok 44183
194: ok 44184
194: ok 44185
194: ok 44186
194: ok 44187
194: ok 44188
194: ok 44189
194: ok 44190
194: ok 44191
194: ok 44192
194: ok 44193
194: ok 44194
194: ok 44195
194: ok 44196
194: ok 44197
194: ok 44198
194: ok 44199
194: ok 44200
194: ok 44201
194: ok 44202
194: ok 44203
194: ok 44204
194: ok 44205
194: ok 44206
194: ok 44207
194: ok 44208
194: ok 44209
194: ok 44210
194: ok 44211
194: ok 44212
194: ok 44213
194: ok 44214
194: ok 44215
194: ok 44216
194: ok 44217
194: ok 44218
194: ok 44219
194: ok 44220
194: ok 44221
194: ok 44222
194: ok 44223
194: ok 44224
194: ok 44225
194: ok 44226
194: ok 44227
194: ok 44228
194: ok 44229
194: ok 44230
194: ok 44231
194: ok 44232
194: ok 44233
194: ok 44234
194: ok 44235
194: ok 44236
194: ok 44237
194: ok 44238
194: ok 44239
194: ok 44240
194: ok 44241
194: ok 44242
194: ok 44243
194: ok 44244
194: ok 44245
194: ok 44246
194: ok 44247
194: ok 44248
194: ok 44249
194: ok 44250
194: ok 44251
194: ok 44252
194: ok 44253
194: ok 44254
194: ok 44255
194: ok 44256
194: ok 44257
194: ok 44258
194: ok 44259
194: ok 44260
194: ok 44261
194: ok 44262
194: ok 44263
194: ok 44264
194: ok 44265
194: ok 44266
194: ok 44267
194: ok 44268
194: ok 44269
194: ok 44270
194: ok 44271
194: ok 44272
194: ok 44273
194: ok 44274
194: ok 44275
194: ok 44276
194: ok 44277
194: ok 44278
194: ok 44279
194: ok 44280
194: ok 44281
194: ok 44282
194: ok 44283
194: ok 44284
194: ok 44285
194: ok 44286
194: ok 44287
194: ok 44288
194: ok 44289
194: ok 44290
194: ok 44291
194: ok 44292
194: ok 44293
194: ok 44294
194: ok 44295
194: ok 44296
194: ok 44297
194: ok 44298
194: ok 44299
194: ok 44300
194: ok 44301
194: ok 44302
194: ok 44303
194: ok 44304
194: ok 44305
194: ok 44306
194: ok 44307
194: ok 44308
194: ok 44309
194: ok 44310
194: ok 44311
194: ok 44312
194: ok 44313
194: ok 44314
194: ok 44315
194: ok 44316
194: ok 44317
194: ok 44318
194: ok 44319
194: ok 44320
194: ok 44321
194: ok 44322
194: ok 44323
194: ok 44324
194: ok 44325
194: ok 44326
194: ok 44327
194: ok 44328
194: ok 44329
194: ok 44330
194: ok 44331
194: ok 44332
194: ok 44333
194: ok 44334
194: ok 44335
194: ok 44336
194: ok 44337
194: ok 44338
194: ok 44339
194: ok 44340
194: ok 44341
194: ok 44342
194: ok 44343
194: ok 44344
194: ok 44345
194: ok 44346
194: ok 44347
194: ok 44348
194: ok 44349
194: ok 44350
194: ok 44351
194: ok 44352
194: ok 44353
194: ok 44354
194: ok 44355
194: ok 44356
194: ok 44357
194: ok 44358
194: ok 44359
194: ok 44360
194: ok 44361
194: ok 44362
194: ok 44363
194: ok 44364
194: ok 44365
194: ok 44366
194: ok 44367
194: ok 44368
194: ok 44369
194: ok 44370
194: ok 44371
194: ok 44372
194: ok 44373
194: ok 44374
194: ok 44375
194: ok 44376
194: ok 44377
194: ok 44378
194: ok 44379
194: ok 44380
194: ok 44381
194: ok 44382
194: ok 44383
194: ok 44384
194: ok 44385
194: ok 44386
194: ok 44387
194: ok 44388
194: ok 44389
194: ok 44390
194: ok 44391
194: ok 44392
194: ok 44393
194: ok 44394
194: ok 44395
194: ok 44396
194: ok 44397
194: ok 44398
194: ok 44399
194: ok 44400
194: ok 44401
194: ok 44402
194: ok 44403
194: ok 44404
194: ok 44405
194: ok 44406
194: ok 44407
194: ok 44408
194: ok 44409
194: ok 44410
194: ok 44411
194: ok 44412
194: ok 44413
194: ok 44414
194: ok 44415
194: ok 44416
194: ok 44417
194: ok 44418
194: ok 44419
194: ok 44420
194: ok 44421
194: ok 44422
194: ok 44423
194: ok 44424
194: ok 44425
194: ok 44426
194: ok 44427
194: ok 44428
194: ok 44429
194: ok 44430
194: ok 44431
194: ok 44432
194: ok 44433
194: ok 44434
194: ok 44435
194: ok 44436
194: ok 44437
194: ok 44438
194: ok 44439
194: ok 44440
194: ok 44441
194: ok 44442
194: ok 44443
194: ok 44444
194: ok 44445
194: ok 44446
194: ok 44447
194: ok 44448
194: ok 44449
194: ok 44450
194: ok 44451
194: ok 44452
194: ok 44453
194: ok 44454
194: ok 44455
194: ok 44456
194: ok 44457
194: ok 44458
194: ok 44459
194: ok 44460
194: ok 44461
194: ok 44462
194: ok 44463
194: ok 44464
194: ok 44465
194: ok 44466
194: ok 44467
194: ok 44468
194: ok 44469
194: ok 44470
194: ok 44471
194: ok 44472
194: ok 44473
194: ok 44474
194: ok 44475
194: ok 44476
194: ok 44477
194: ok 44478
194: ok 44479
194: ok 44480
194: ok 44481
194: ok 44482
194: ok 44483
194: ok 44484
194: ok 44485
194: ok 44486
194: ok 44487
194: ok 44488
194: ok 44489
194: ok 44490
194: ok 44491
194: ok 44492
194: ok 44493
194: ok 44494
194: ok 44495
194: ok 44496
194: ok 44497
194: ok 44498
194: ok 44499
194: ok 44500
194: ok 44501
194: ok 44502
194: ok 44503
194: ok 44504
194: ok 44505
194: ok 44506
194: ok 44507
194: ok 44508
194: ok 44509
194: ok 44510
194: ok 44511
194: ok 44512
194: ok 44513
194: ok 44514
194: ok 44515
194: ok 44516
194: ok 44517
194: ok 44518
194: ok 44519
194: ok 44520
194: ok 44521
194: ok 44522
194: ok 44523
194: ok 44524
194: ok 44525
194: ok 44526
194: ok 44527
194: ok 44528
194: ok 44529
194: ok 44530
194: ok 44531
194: ok 44532
194: ok 44533
194: ok 44534
194: ok 44535
194: ok 44536
194: ok 44537
194: ok 44538
194: ok 44539
194: ok 44540
194: ok 44541
194: ok 44542
194: ok 44543
194: ok 44544
194: ok 44545
194: ok 44546
194: ok 44547
194: ok 44548
194: ok 44549
194: ok 44550
194: ok 44551
194: ok 44552
194: ok 44553
194: ok 44554
194: ok 44555
194: ok 44556
194: ok 44557
194: ok 44558
194: ok 44559
194: ok 44560
194: ok 44561
194: ok 44562
194: ok 44563
194: ok 44564
194: ok 44565
194: ok 44566
194: ok 44567
194: ok 44568
194: ok 44569
194: ok 44570
194: ok 44571
194: ok 44572
194: ok 44573
194: ok 44574
194: ok 44575
194: ok 44576
194: ok 44577
194: ok 44578
194: ok 44579
194: ok 44580
194: ok 44581
194: ok 44582
194: ok 44583
194: ok 44584
194: ok 44585
194: ok 44586
194: ok 44587
194: ok 44588
194: ok 44589
194: ok 44590
194: ok 44591
194: ok 44592
194: ok 44593
194: ok 44594
194: ok 44595
194: ok 44596
194: ok 44597
194: ok 44598
194: ok 44599
194: ok 44600
194: ok 44601
194: ok 44602
194: ok 44603
194: ok 44604
194: ok 44605
194: ok 44606
194: ok 44607
194: ok 44608
194: ok 44609
194: ok 44610
194: ok 44611
194: ok 44612
194: ok 44613
194: ok 44614
194: ok 44615
194: ok 44616
194: ok 44617
194: ok 44618
194: ok 44619
194: ok 44620
194: ok 44621
194: ok 44622
194: ok 44623
194: ok 44624
194: ok 44625
194: ok 44626
194: ok 44627
194: ok 44628
194: ok 44629
194: ok 44630
194: ok 44631
194: ok 44632
194: ok 44633
194: ok 44634
194: ok 44635
194: ok 44636
194: ok 44637
194: ok 44638
194: ok 44639
194: ok 44640
194: ok 44641
194: ok 44642
194: ok 44643
194: ok 44644
194: ok 44645
194: ok 44646
194: ok 44647
194: ok 44648
194: ok 44649
194: ok 44650
194: ok 44651
194: ok 44652
194: ok 44653
194: ok 44654
194: ok 44655
194: ok 44656
194: ok 44657
194: ok 44658
194: ok 44659
194: ok 44660
194: ok 44661
194: ok 44662
194: ok 44663
194: ok 44664
194: ok 44665
194: ok 44666
194: ok 44667
194: ok 44668
194: ok 44669
194: ok 44670
194: ok 44671
194: ok 44672
194: ok 44673
194: ok 44674
194: ok 44675
194: ok 44676
194: ok 44677
194: ok 44678
194: ok 44679
194: ok 44680
194: ok 44681
194: ok 44682
194: ok 44683
194: ok 44684
194: ok 44685
194: ok 44686
194: ok 44687
194: ok 44688
194: ok 44689
194: ok 44690
194: ok 44691
194: ok 44692
194: ok 44693
194: ok 44694
194: ok 44695
194: ok 44696
194: ok 44697
194: ok 44698
194: ok 44699
194: ok 44700
194: ok 44701
194: ok 44702
194: ok 44703
194: ok 44704
194: ok 44705
194: ok 44706
194: ok 44707
194: ok 44708
194: ok 44709
194: ok 44710
194: ok 44711
194: ok 44712
194: ok 44713
194: ok 44714
194: ok 44715
194: ok 44716
194: ok 44717
194: ok 44718
194: ok 44719
194: ok 44720
194: ok 44721
194: ok 44722
194: ok 44723
194: ok 44724
194: ok 44725
194: ok 44726
194: ok 44727
194: ok 44728
194: ok 44729
194: ok 44730
194: ok 44731
194: ok 44732
194: ok 44733
194: ok 44734
194: ok 44735
194: ok 44736
194: ok 44737
194: ok 44738
194: ok 44739
194: ok 44740
194: ok 44741
194: ok 44742
194: ok 44743
194: ok 44744
194: ok 44745
194: ok 44746
194: ok 44747
194: ok 44748
194: ok 44749
194: ok 44750
194: ok 44751
194: ok 44752
194: ok 44753
194: ok 44754
194: ok 44755
194: ok 44756
194: ok 44757
194: ok 44758
194: ok 44759
194: ok 44760
194: ok 44761
194: ok 44762
194: ok 44763
194: ok 44764
194: ok 44765
194: ok 44766
194: ok 44767
194: ok 44768
194: ok 44769
194: ok 44770
194: ok 44771
194: ok 44772
194: ok 44773
194: ok 44774
194: ok 44775
194: ok 44776
194: ok 44777
194: ok 44778
194: ok 44779
194: ok 44780
194: ok 44781
194: ok 44782
194: ok 44783
194: ok 44784
194: ok 44785
194: ok 44786
194: ok 44787
194: ok 44788
194: ok 44789
194: ok 44790
194: ok 44791
194: ok 44792
194: ok 44793
194: ok 44794
194: ok 44795
194: ok 44796
194: ok 44797
194: ok 44798
194: ok 44799
194: ok 44800
194: ok 44801
194: ok 44802
194: ok 44803
194: ok 44804
194: ok 44805
194: ok 44806
194: ok 44807
194: ok 44808
194: ok 44809
194: ok 44810
194: ok 44811
194: ok 44812
194: ok 44813
194: ok 44814
194: ok 44815
194: ok 44816
194: ok 44817
194: ok 44818
194: ok 44819
194: ok 44820
194: ok 44821
194: ok 44822
194: ok 44823
194: ok 44824
194: ok 44825
194: ok 44826
194: ok 44827
194: ok 44828
194: ok 44829
194: ok 44830
194: ok 44831
194: ok 44832
194: ok 44833
194: ok 44834
194: ok 44835
194: ok 44836
194: ok 44837
194: ok 44838
194: ok 44839
194: ok 44840
194: ok 44841
194: ok 44842
194: ok 44843
194: ok 44844
194: ok 44845
194: ok 44846
194: ok 44847
194: ok 44848
194: ok 44849
194: ok 44850
194: ok 44851
194: ok 44852
194: ok 44853
194: ok 44854
194: ok 44855
194: ok 44856
194: ok 44857
194: ok 44858
194: ok 44859
194: ok 44860
194: ok 44861
194: ok 44862
194: ok 44863
194: ok 44864
194: ok 44865
194: ok 44866
194: ok 44867
194: ok 44868
194: ok 44869
194: ok 44870
194: ok 44871
194: ok 44872
194: ok 44873
194: ok 44874
194: ok 44875
194: ok 44876
194: ok 44877
194: ok 44878
194: ok 44879
194: ok 44880
194: ok 44881
194: ok 44882
194: ok 44883
194: ok 44884
194: ok 44885
194: ok 44886
194: ok 44887
194: ok 44888
194: ok 44889
194: ok 44890
194: ok 44891
194: ok 44892
194: ok 44893
194: ok 44894
194: ok 44895
194: ok 44896
194: ok 44897
194: ok 44898
194: ok 44899
194: ok 44900
194: ok 44901
194: ok 44902
194: ok 44903
194: ok 44904
194: ok 44905
194: ok 44906
194: ok 44907
194: ok 44908
194: ok 44909
194: ok 44910
194: ok 44911
194: ok 44912
194: ok 44913
194: ok 44914
194: ok 44915
194: ok 44916
194: ok 44917
194: ok 44918
194: ok 44919
194: ok 44920
194: ok 44921
194: ok 44922
194: ok 44923
194: ok 44924
194: ok 44925
194: ok 44926
194: ok 44927
194: ok 44928
194: ok 44929
194: ok 44930
194: ok 44931
194: ok 44932
194: ok 44933
194: ok 44934
194: ok 44935
194: ok 44936
194: ok 44937
194: ok 44938
194: ok 44939
194: ok 44940
194: ok 44941
194: ok 44942
194: ok 44943
194: ok 44944
194: ok 44945
194: ok 44946
194: ok 44947
194: ok 44948
194: ok 44949
194: ok 44950
194: ok 44951
194: ok 44952
194: ok 44953
194: ok 44954
194: ok 44955
194: ok 44956
194: ok 44957
194: ok 44958
194: ok 44959
194: ok 44960
194: ok 44961
194: ok 44962
194: ok 44963
194: ok 44964
194: ok 44965
194: ok 44966
194: ok 44967
194: ok 44968
194: ok 44969
194: ok 44970
194: ok 44971
194: ok 44972
194: ok 44973
194: ok 44974
194: ok 44975
194: ok 44976
194: ok 44977
194: ok 44978
194: ok 44979
194: ok 44980
194: ok 44981
194: ok 44982
194: ok 44983
194: ok 44984
194: ok 44985
194: ok 44986
194: ok 44987
194: ok 44988
194: ok 44989
194: ok 44990
194: ok 44991
194: ok 44992
194: ok 44993
194: ok 44994
194: ok 44995
194: ok 44996
194: ok 44997
194: ok 44998
194: ok 44999
194: ok 45000
194: ok 45001
194: ok 45002
194: ok 45003
194: ok 45004
194: ok 45005
194: ok 45006
194: ok 45007
194: ok 45008
194: ok 45009
194: ok 45010
194: ok 45011
194: ok 45012
194: ok 45013
194: ok 45014
194: ok 45015
194: ok 45016
194: ok 45017
194: ok 45018
194: ok 45019
194: ok 45020
194: ok 45021
194: ok 45022
194: ok 45023
194: ok 45024
194: ok 45025
194: ok 45026
194: ok 45027
194: ok 45028
194: ok 45029
194: ok 45030
194: ok 45031
194: ok 45032
194: ok 45033
194: ok 45034
194: ok 45035
194: ok 45036
194: ok 45037
194: ok 45038
194: ok 45039
194: ok 45040
194: ok 45041
194: ok 45042
194: ok 45043
194: ok 45044
194: ok 45045
194: ok 45046
194: ok 45047
194: ok 45048
194: ok 45049
194: ok 45050
194: ok 45051
194: ok 45052
194: ok 45053
194: ok 45054
194: ok 45055
194: ok 45056
194: ok 45057
194: ok 45058
194: ok 45059
194: ok 45060
194: ok 45061
194: ok 45062
194: ok 45063
194: ok 45064
194: ok 45065
194: ok 45066
194: ok 45067
194: ok 45068
194: ok 45069
194: ok 45070
194: ok 45071
194: ok 45072
194: ok 45073
194: ok 45074
194: ok 45075
194: ok 45076
194: ok 45077
194: ok 45078
194: ok 45079
194: ok 45080
194: ok 45081
194: ok 45082
194: ok 45083
194: ok 45084
194: ok 45085
194: ok 45086
194: ok 45087
194: ok 45088
194: ok 45089
194: ok 45090
194: ok 45091
194: ok 45092
194: ok 45093
194: ok 45094
194: ok 45095
194: ok 45096
194: ok 45097
194: ok 45098
194: ok 45099
194: ok 45100
194: ok 45101
194: ok 45102
194: ok 45103
194: ok 45104
194: ok 45105
194: ok 45106
194: ok 45107
194: ok 45108
194: ok 45109
194: ok 45110
194: ok 45111
194: ok 45112
194: ok 45113
194: ok 45114
194: ok 45115
194: ok 45116
194: ok 45117
194: ok 45118
194: ok 45119
194: ok 45120
194: ok 45121
194: ok 45122
194: ok 45123
194: ok 45124
194: ok 45125
194: ok 45126
194: ok 45127
194: ok 45128
194: ok 45129
194: ok 45130
194: ok 45131
194: ok 45132
194: ok 45133
194: ok 45134
194: ok 45135
194: ok 45136
194: ok 45137
194: ok 45138
194: ok 45139
194: ok 45140
194: ok 45141
194: ok 45142
194: ok 45143
194: ok 45144
194: ok 45145
194: ok 45146
194: ok 45147
194: ok 45148
194: ok 45149
194: ok 45150
194: ok 45151
194: ok 45152
194: ok 45153
194: ok 45154
194: ok 45155
194: ok 45156
194: ok 45157
194: ok 45158
194: ok 45159
194: ok 45160
194: ok 45161
194: ok 45162
194: ok 45163
194: ok 45164
194: ok 45165
194: ok 45166
194: ok 45167
194: ok 45168
194: ok 45169
194: ok 45170
194: ok 45171
194: ok 45172
194: ok 45173
194: ok 45174
194: ok 45175
194: ok 45176
194: ok 45177
194: ok 45178
194: ok 45179
194: ok 45180
194: ok 45181
194: ok 45182
194: ok 45183
194: ok 45184
194: ok 45185
194: ok 45186
194: ok 45187
194: ok 45188
194: ok 45189
194: ok 45190
194: ok 45191
194: ok 45192
194: ok 45193
194: ok 45194
194: ok 45195
194: ok 45196
194: ok 45197
194: ok 45198
194: ok 45199
194: ok 45200
194: ok 45201
194: ok 45202
194: ok 45203
194: ok 45204
194: ok 45205
194: ok 45206
194: ok 45207
194: ok 45208
194: ok 45209
194: ok 45210
194: ok 45211
194: ok 45212
194: ok 45213
194: ok 45214
194: ok 45215
194: ok 45216
194: ok 45217
194: ok 45218
194: ok 45219
194: ok 45220
194: ok 45221
194: ok 45222
194: ok 45223
194: ok 45224
194: ok 45225
194: ok 45226
194: ok 45227
194: ok 45228
194: ok 45229
194: ok 45230
194: ok 45231
194: ok 45232
194: ok 45233
194: ok 45234
194: ok 45235
194: ok 45236
194: ok 45237
194: ok 45238
194: ok 45239
194: ok 45240
194: ok 45241
194: ok 45242
194: ok 45243
194: ok 45244
194: ok 45245
194: ok 45246
194: ok 45247
194: ok 45248
194: ok 45249
194: ok 45250
194: ok 45251
194: ok 45252
194: ok 45253
194: ok 45254
194: ok 45255
194: ok 45256
194: ok 45257
194: ok 45258
194: ok 45259
194: ok 45260
194: ok 45261
194: ok 45262
194: ok 45263
194: ok 45264
194: ok 45265
194: ok 45266
194: ok 45267
194: ok 45268
194: ok 45269
194: ok 45270
194: ok 45271
194: ok 45272
194: ok 45273
194: ok 45274
194: ok 45275
194: ok 45276
194: ok 45277
194: ok 45278
194: ok 45279
194: ok 45280
194: ok 45281
194: ok 45282
194: ok 45283
194: ok 45284
194: ok 45285
194: ok 45286
194: ok 45287
194: ok 45288
194: ok 45289
194: ok 45290
194: ok 45291
194: ok 45292
194: ok 45293
194: ok 45294
194: ok 45295
194: ok 45296
194: ok 45297
194: ok 45298
194: ok 45299
194: ok 45300
194: ok 45301
194: ok 45302
194: ok 45303
194: ok 45304
194: ok 45305
194: ok 45306
194: ok 45307
194: ok 45308
194: ok 45309
194: ok 45310
194: ok 45311
194: ok 45312
194: ok 45313
194: ok 45314
194: ok 45315
194: ok 45316
194: ok 45317
194: ok 45318
194: ok 45319
194: ok 45320
194: ok 45321
194: ok 45322
194: ok 45323
194: ok 45324
194: ok 45325
194: ok 45326
194: ok 45327
194: ok 45328
194: ok 45329
194: ok 45330
194: ok 45331
194: ok 45332
194: ok 45333
194: ok 45334
194: ok 45335
194: ok 45336
194: ok 45337
194: ok 45338
194: ok 45339
194: ok 45340
194: ok 45341
194: ok 45342
194: ok 45343
194: ok 45344
194: ok 45345
194: ok 45346
194: ok 45347
194: ok 45348
194: ok 45349
194: ok 45350
194: ok 45351
194: ok 45352
194: ok 45353
194: ok 45354
194: ok 45355
194: ok 45356
194: ok 45357
194: ok 45358
194: ok 45359
194: ok 45360
194: ok 45361
194: ok 45362
194: ok 45363
194: ok 45364
194: ok 45365
194: ok 45366
194: ok 45367
194: ok 45368
194: ok 45369
194: ok 45370
194: ok 45371
194: ok 45372
194: ok 45373
194: ok 45374
194: ok 45375
194: ok 45376
194: ok 45377
194: ok 45378
194: ok 45379
194: ok 45380
194: ok 45381
194: ok 45382
194: ok 45383
194: ok 45384
194: ok 45385
194: ok 45386
194: ok 45387
194: ok 45388
194: ok 45389
194: ok 45390
194: ok 45391
194: ok 45392
194: ok 45393
194: ok 45394
194: ok 45395
194: ok 45396
194: ok 45397
194: ok 45398
194: ok 45399
194: ok 45400
194: ok 45401
194: ok 45402
194: ok 45403
194: ok 45404
194: ok 45405
194: ok 45406
194: ok 45407
194: ok 45408
194: ok 45409
194: ok 45410
194: ok 45411
194: ok 45412
194: ok 45413
194: ok 45414
194: ok 45415
194: ok 45416
194: ok 45417
194: ok 45418
194: ok 45419
194: ok 45420
194: ok 45421
194: ok 45422
194: ok 45423
194: ok 45424
194: ok 45425
194: ok 45426
194: ok 45427
194: ok 45428
194: ok 45429
194: ok 45430
194: ok 45431
194: ok 45432
194: ok 45433
194: ok 45434
194: ok 45435
194: ok 45436
194: ok 45437
194: ok 45438
194: ok 45439
194: ok 45440
194: ok 45441
194: ok 45442
194: ok 45443
194: ok 45444
194: ok 45445
194: ok 45446
194: ok 45447
194: ok 45448
194: ok 45449
194: ok 45450
194: ok 45451
194: ok 45452
194: ok 45453
194: ok 45454
194: ok 45455
194: ok 45456
194: ok 45457
194: ok 45458
194: ok 45459
194: ok 45460
194: ok 45461
194: ok 45462
194: ok 45463
194: ok 45464
194: ok 45465
194: ok 45466
194: ok 45467
194: ok 45468
194: ok 45469
194: ok 45470
194: ok 45471
194: ok 45472
194: ok 45473
194: ok 45474
194: ok 45475
194: ok 45476
194: ok 45477
194: ok 45478
194: ok 45479
194: ok 45480
194: ok 45481
194: ok 45482
194: ok 45483
194: ok 45484
194: ok 45485
194: ok 45486
194: ok 45487
194: ok 45488
194: ok 45489
194: ok 45490
194: ok 45491
194: ok 45492
194: ok 45493
194: ok 45494
194: ok 45495
194: ok 45496
194: ok 45497
194: ok 45498
194: ok 45499
194: ok 45500
194: ok 45501
194: ok 45502
194: ok 45503
194: ok 45504
194: ok 45505
194: ok 45506
194: ok 45507
194: ok 45508
194: ok 45509
194: ok 45510
194: ok 45511
194: ok 45512
194: ok 45513
194: ok 45514
194: ok 45515
194: ok 45516
194: ok 45517
194: ok 45518
194: ok 45519
194: ok 45520
194: ok 45521
194: ok 45522
194: ok 45523
194: ok 45524
194: ok 45525
194: ok 45526
194: ok 45527
194: ok 45528
194: ok 45529
194: ok 45530
194: ok 45531
194: ok 45532
194: ok 45533
194: ok 45534
194: ok 45535
194: ok 45536
194: ok 45537
194: ok 45538
194: ok 45539
194: ok 45540
194: ok 45541
194: ok 45542
194: ok 45543
194: ok 45544
194: ok 45545
194: ok 45546
194: ok 45547
194: ok 45548
194: ok 45549
194: ok 45550
194: ok 45551
194: ok 45552
194: ok 45553
194: ok 45554
194: ok 45555
194: ok 45556
194: ok 45557
194: ok 45558
194: ok 45559
194: ok 45560
194: ok 45561
194: ok 45562
194: ok 45563
194: ok 45564
194: ok 45565
194: ok 45566
194: ok 45567
194: ok 45568
194: ok 45569
194: ok 45570
194: ok 45571
194: ok 45572
194: ok 45573
194: ok 45574
194: ok 45575
194: ok 45576
194: ok 45577
194: ok 45578
194: ok 45579
194: ok 45580
194: ok 45581
194: ok 45582
194: ok 45583
194: ok 45584
194: ok 45585
194: ok 45586
194: ok 45587
194: ok 45588
194: ok 45589
194: ok 45590
194: ok 45591
194: ok 45592
194: ok 45593
194: ok 45594
194: ok 45595
194: ok 45596
194: ok 45597
194: ok 45598
194: ok 45599
194: ok 45600
194: ok 45601
194: ok 45602
194: ok 45603
194: ok 45604
194: ok 45605
194: ok 45606
194: ok 45607
194: ok 45608
194: ok 45609
194: ok 45610
194: ok 45611
194: ok 45612
194: ok 45613
194: ok 45614
194: ok 45615
194: ok 45616
194: ok 45617
194: ok 45618
194: ok 45619
194: ok 45620
194: ok 45621
194: ok 45622
194: ok 45623
194: ok 45624
194: ok 45625
194: ok 45626
194: ok 45627
194: ok 45628
194: ok 45629
194: ok 45630
194: ok 45631
194: ok 45632
194: ok 45633
194: ok 45634
194: ok 45635
194: ok 45636
194: ok 45637
194: ok 45638
194: ok 45639
194: ok 45640
194: ok 45641
194: ok 45642
194: ok 45643
194: ok 45644
194: ok 45645
194: ok 45646
194: ok 45647
194: ok 45648
194: ok 45649
194: ok 45650
194: ok 45651
194: ok 45652
194: ok 45653
194: ok 45654
194: ok 45655
194: ok 45656
194: ok 45657
194: ok 45658
194: ok 45659
194: ok 45660
194: ok 45661
194: ok 45662
194: ok 45663
194: ok 45664
194: ok 45665
194: ok 45666
194: ok 45667
194: ok 45668
194: ok 45669
194: ok 45670
194: ok 45671
194: ok 45672
194: ok 45673
194: ok 45674
194: ok 45675
194: ok 45676
194: ok 45677
194: ok 45678
194: ok 45679
194: ok 45680
194: ok 45681
194: ok 45682
194: ok 45683
194: ok 45684
194: ok 45685
194: ok 45686
194: ok 45687
194: ok 45688
194: ok 45689
194: ok 45690
194: ok 45691
194: ok 45692
194: ok 45693
194: ok 45694
194: ok 45695
194: ok 45696
194: ok 45697
194: ok 45698
194: ok 45699
194: ok 45700
194: ok 45701
194: ok 45702
194: ok 45703
194: ok 45704
194: ok 45705
194: ok 45706
194: ok 45707
194: ok 45708
194: ok 45709
194: ok 45710
194: ok 45711
194: ok 45712
194: ok 45713
194: ok 45714
194: ok 45715
194: ok 45716
194: ok 45717
194: ok 45718
194: ok 45719
194: ok 45720
194: ok 45721
194: ok 45722
194: ok 45723
194: ok 45724
194: ok 45725
194: ok 45726
194: ok 45727
194: ok 45728
194: ok 45729
194: ok 45730
194: ok 45731
194: ok 45732
194: ok 45733
194: ok 45734
194: ok 45735
194: ok 45736
194: ok 45737
194: ok 45738
194: ok 45739
194: ok 45740
194: ok 45741
194: ok 45742
194: ok 45743
194: ok 45744
194: ok 45745
194: ok 45746
194: ok 45747
194: ok 45748
194: ok 45749
194: ok 45750
194: ok 45751
194: ok 45752
194: ok 45753
194: ok 45754
194: ok 45755
194: ok 45756
194: ok 45757
194: ok 45758
194: ok 45759
194: ok 45760
194: ok 45761
194: ok 45762
194: ok 45763
194: ok 45764
194: ok 45765
194: ok 45766
194: ok 45767
194: ok 45768
194: ok 45769
194: ok 45770
194: ok 45771
194: ok 45772
194: ok 45773
194: ok 45774
194: ok 45775
194: ok 45776
194: ok 45777
194: ok 45778
194: ok 45779
194: ok 45780
194: ok 45781
194: ok 45782
194: ok 45783
194: ok 45784
194: ok 45785
194: ok 45786
194: ok 45787
194: ok 45788
194: ok 45789
194: ok 45790
194: ok 45791
194: ok 45792
194: ok 45793
194: ok 45794
194: ok 45795
194: ok 45796
194: ok 45797
194: ok 45798
194: ok 45799
194: ok 45800
194: ok 45801
194: ok 45802
194: ok 45803
194: ok 45804
194: ok 45805
194: ok 45806
194: ok 45807
194: ok 45808
194: ok 45809
194: ok 45810
194: ok 45811
194: ok 45812
194: ok 45813
194: ok 45814
194: ok 45815
194: ok 45816
194: ok 45817
194: ok 45818
194: ok 45819
194: ok 45820
194: ok 45821
194: ok 45822
194: ok 45823
194: ok 45824
194: ok 45825
194: ok 45826
194: ok 45827
194: ok 45828
194: ok 45829
194: ok 45830
194: ok 45831
194: ok 45832
194: ok 45833
194: ok 45834
194: ok 45835
194: ok 45836
194: ok 45837
194: ok 45838
194: ok 45839
194: ok 45840
194: ok 45841
194: ok 45842
194: ok 45843
194: ok 45844
194: ok 45845
194: ok 45846
194: ok 45847
194: ok 45848
194: ok 45849
194: ok 45850
194: ok 45851
194: ok 45852
194: ok 45853
194: ok 45854
194: ok 45855
194: ok 45856
194: ok 45857
194: ok 45858
194: ok 45859
194: ok 45860
194: ok 45861
194: ok 45862
194: ok 45863
194: ok 45864
194: ok 45865
194: ok 45866
194: ok 45867
194: ok 45868
194: ok 45869
194: ok 45870
194: ok 45871
194: ok 45872
194: ok 45873
194: ok 45874
194: ok 45875
194: ok 45876
194: ok 45877
194: ok 45878
194: ok 45879
194: ok 45880
194: ok 45881
194: ok 45882
194: ok 45883
194: ok 45884
194: ok 45885
194: ok 45886
194: ok 45887
194: ok 45888
194: ok 45889
194: ok 45890
194: ok 45891
194: ok 45892
194: ok 45893
194: ok 45894
194: ok 45895
194: ok 45896
194: ok 45897
194: ok 45898
194: ok 45899
194: ok 45900
194: ok 45901
194: ok 45902
194: ok 45903
194: ok 45904
194: ok 45905
194: ok 45906
194: ok 45907
194: ok 45908
194: ok 45909
194: ok 45910
194: ok 45911
194: ok 45912
194: ok 45913
194: ok 45914
194: ok 45915
194: ok 45916
194: ok 45917
194: ok 45918
194: ok 45919
194: ok 45920
194: ok 45921
194: ok 45922
194: ok 45923
194: ok 45924
194: ok 45925
194: ok 45926
194: ok 45927
194: ok 45928
194: ok 45929
194: ok 45930
194: ok 45931
194: ok 45932
194: ok 45933
194: ok 45934
194: ok 45935
194: ok 45936
194: ok 45937
194: ok 45938
194: ok 45939
194: ok 45940
194: ok 45941
194: ok 45942
194: ok 45943
194: ok 45944
194: ok 45945
194: ok 45946
194: ok 45947
194: ok 45948
194: ok 45949
194: ok 45950
194: ok 45951
194: ok 45952
194: ok 45953
194: ok 45954
194: ok 45955
194: ok 45956
194: ok 45957
194: ok 45958
194: ok 45959
194: ok 45960
194: ok 45961
194: ok 45962
194: ok 45963
194: ok 45964
194: ok 45965
194: ok 45966
194: ok 45967
194: ok 45968
194: ok 45969
194: ok 45970
194: ok 45971
194: ok 45972
194: ok 45973
194: ok 45974
194: ok 45975
194: ok 45976
194: ok 45977
194: ok 45978
194: ok 45979
194: ok 45980
194: ok 45981
194: ok 45982
194: ok 45983
194: ok 45984
194: ok 45985
194: ok 45986
194: ok 45987
194: ok 45988
194: ok 45989
194: ok 45990
194: ok 45991
194: ok 45992
194: ok 45993
194: ok 45994
194: ok 45995
194: ok 45996
194: ok 45997
194: ok 45998
194: ok 45999
194: ok 46000
194: # math: passed testBasics_matrix3x3
194: 1..46000
194: # math: all tests are successful
183:     oop     (  0.008,  -0.007,   0.085)  (  0.007,  -0.006,   0.071)  ( 0.00,  0.00,  0.12)
183:     vdw     (  0.563,  -0.681,  -0.091)  (  0.563,  -0.681,  -0.091)  ( 0.00,  0.00,  0.00)
183:     electro (  0.189,  -0.027,   0.024)  (  0.189,  -0.027,   0.024)  ( 0.00,  0.00,  0.00)
183: 46       (  0.161,  -1.444,  -1.223)  (  0.162,  -1.442,  -1.237)  ( 0.03,  0.16,  1.12)
183:     bond    ( -1.548,  -0.548,   0.144)  ( -1.545,  -0.547,   0.145)  ( 0.21,  0.02,  0.00)
183:     angle   ( -2.690,   7.839,   0.924)  ( -2.690,   7.840,   0.924)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  2.263,   1.431,  -0.188)  (  2.263,   1.431,  -0.188)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.041,   0.010,  -0.399)  ( -0.041,   0.010,  -0.398)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.011,  -0.007,   0.092)  (  0.009,  -0.006,   0.078)  ( 0.00,  0.00,  0.13)
183:     vdw     (  2.373, -10.506,  -1.864)  (  2.373, -10.506,  -1.864)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.207,   0.336,   0.067)  ( -0.207,   0.336,   0.067)  ( 0.00,  0.00,  0.00)
183: 47       ( -0.364,   0.001,   0.224)  ( -0.363,   0.002,   0.227)  ( 0.04,  0.00,  0.06)
183:     bond    (  2.065,   0.651,   4.277)  (  2.066,   0.651,   4.280)  ( 0.03,  0.01,  0.06)
183:     angle   ( -1.189,   0.877,   0.440)  ( -1.189,   0.878,   0.440)  ( 0.04,  0.06,  0.01)
183:     strbnd  ( -1.004,  -2.559,  -2.464)  ( -1.004,  -2.559,  -2.464)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.081,   1.012,  -0.193)  (  0.081,   1.012,  -0.193)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.317,   0.020,  -1.836)  ( -0.317,   0.020,  -1.835)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 48       (  0.158,   0.208,   0.381)  (  0.161,   0.209,   0.382)  ( 0.05,  0.03,  0.02)
183:     bond    ( -1.345,  -0.662,  -0.174)  ( -1.342,  -0.661,  -0.174)  ( 0.21,  0.04,  0.00)
183:     angle   (  2.482,  -5.347,   1.171)  (  2.482,  -5.347,   1.171)  ( 0.00,  0.01,  0.04)
183:     strbnd  ( -0.569,  -0.838,  -0.623)  ( -0.569,  -0.838,  -0.623)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.479,  -1.375,   1.531)  (  0.479,  -1.375,   1.531)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.889,   8.429,  -1.524)  ( -0.889,   8.429,  -1.524)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 49       (  0.370,  -0.684,   0.437)  (  0.371,  -0.684,   0.441)  ( 0.03,  0.03,  0.14)
183:     bond    ( -0.186,   0.025,  -0.685)  ( -0.186,   0.025,  -0.682)  ( 0.00,  0.00,  0.22)
183:     angle   (  1.336,  -2.129,  -0.442)  (  1.336,  -2.128,  -0.442)  ( 0.04,  0.02,  0.00)
183:     strbnd  (  0.611,  -0.262,  -0.310)  (  0.611,  -0.262,  -0.310)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.104,  -0.201,   0.021)  ( -0.104,  -0.201,   0.021)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.287,   1.882,   1.854)  ( -1.287,   1.882,   1.854)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 50       (  0.588,   0.088,   1.012)  (  0.589,   0.092,   1.013)  ( 0.04,  0.03,  0.07)
183:     bond    (  0.403,  -2.471,   0.627)  (  0.403,  -2.468,   0.627)  ( 0.00,  0.12,  0.01)
183:     angle   (  5.516,   0.699,  -0.794)  (  5.517,   0.699,  -0.793)  ( 0.01,  0.00,  0.04)
183:     strbnd  (  0.314,   1.208,  -0.817)  (  0.314,   1.208,  -0.817)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.531,  -0.207,  -0.474)  ( -0.531,  -0.207,  -0.474)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.114,   0.860,   2.470)  ( -5.114,   0.860,   2.470)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 51       ( -0.316,  -0.193,  -0.505)  ( -0.315,  -0.192,  -0.503)  ( 0.06,  0.02,  0.10)
183:     bond    (  0.716,  -0.298,  -0.826)  (  0.717,  -0.297,  -0.824)  ( 0.10,  0.01,  0.15)
183:     angle   (  1.189,  -5.329,   2.958)  (  1.189,  -5.328,   2.959)  ( 0.03,  0.01,  0.01)
183:     strbnd  ( -0.047,  -0.589,  -0.422)  ( -0.047,  -0.589,  -0.422)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.936,  -0.735,   1.080)  (  0.936,  -0.735,   1.080)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.110,   6.758,  -3.296)  ( -3.110,   6.758,  -3.296)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 52       ( -0.101,  -0.092,  -0.176)  ( -0.100,  -0.090,  -0.175)  ( 0.01,  0.02,  0.01)
183:     bond    (  1.134,  -2.431,   0.852)  (  1.134,  -2.428,   0.852)  ( 0.05,  0.10,  0.03)
183:     angle   ( -3.696,  -1.139,   1.674)  ( -3.696,  -1.138,   1.675)  ( 0.01,  0.01,  0.03)
183:     strbnd  ( -1.209,   1.211,  -0.450)  ( -1.209,   1.211,  -0.450)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.018,   0.060,   0.194)  ( -0.018,   0.060,   0.194)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.689,   2.206,  -2.447)  (  3.689,   2.206,  -2.447)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 53       (  0.304,  -0.091,  -0.474)  (  0.305,  -0.090,  -0.471)  ( 0.04,  0.01,  0.12)
183:     bond    ( -0.341,  -0.134,  -0.569)  ( -0.341,  -0.134,  -0.567)  ( 0.03,  0.00,  0.14)
183:     angle   (  0.912,  -4.148,   0.434)  (  0.913,  -4.147,   0.434)  ( 0.03,  0.01,  0.01)
183:     strbnd  ( -0.362,  -0.327,   0.331)  ( -0.362,  -0.327,   0.331)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.427,  -0.471,  -0.145)  (  0.427,  -0.471,  -0.145)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.333,   4.990,  -0.524)  ( -0.333,   4.990,  -0.524)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 54       (  0.047,   0.327,   0.213)  (  0.048,   0.328,   0.216)  ( 0.00,  0.04,  0.06)
183:     bond    (  0.044,   0.448,  -1.022)  (  0.044,   0.449,  -1.019)  ( 0.00,  0.02,  0.28)
183:     angle   ( -5.073,   4.709,   1.855)  ( -5.072,   4.710,   1.855)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.688,  -1.108,  -0.508)  ( -0.688,  -1.108,  -0.508)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.301,   0.513,   0.239)  (  0.301,   0.513,   0.239)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.463,  -4.236,  -0.352)  (  5.463,  -4.236,  -0.352)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 55       ( -0.139,  -0.301,   0.325)  ( -0.139,  -0.299,   0.327)  ( 0.01,  0.06,  0.06)
183:     bond    (  0.004,  -0.058,  -0.057)  (  0.004,  -0.056,  -0.056)  ( 0.00,  0.01,  0.01)
183:     angle   ( -0.993,   1.847,  -1.929)  ( -0.992,   1.847,  -1.929)  ( 0.07,  0.01,  0.01)
183:     strbnd  ( -0.720,  -1.271,   0.377)  ( -0.720,  -1.271,   0.377)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.101,   0.125,  -0.120)  (  0.101,   0.125,  -0.120)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.469,  -0.945,   2.055)  (  1.469,  -0.944,   2.055)  ( 0.01,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 56       ( -0.037,  -0.300,  -0.241)  ( -0.036,  -0.299,  -0.238)  ( 0.00,  0.04,  0.06)
183:     bond    (  0.176,   1.777,  -3.219)  (  0.177,   1.777,  -3.216)  ( 0.00,  0.04,  0.08)
183:     angle   ( -1.373,  -1.962,  -1.160)  ( -1.373,  -1.962,  -1.159)  ( 0.05,  0.02,  0.01)
183:     strbnd  ( -0.304,   0.067,   1.171)  ( -0.304,   0.067,   1.171)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.378,   0.531,   0.218)  ( -1.378,   0.532,   0.218)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.841,  -0.714,   2.749)  (  2.842,  -0.714,   2.749)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 57       (  0.041,   0.148,  -0.296)  (  0.041,   0.150,  -0.294)  ( 0.00,  0.03,  0.06)
183:     bond    ( -0.135,   2.007,   2.146)  ( -0.135,   2.009,   2.147)  ( 0.00,  0.08,  0.08)
183:     angle   (  0.451,  -0.692,   0.675)  (  0.452,  -0.692,   0.675)  ( 0.03,  0.02,  0.02)
183:     strbnd  ( -0.177,  -0.030,  -0.939)  ( -0.177,  -0.030,  -0.939)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.075,  -0.300,   0.213)  ( -1.075,  -0.300,   0.213)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.976,  -0.838,  -2.392)  (  0.976,  -0.838,  -2.392)  ( 0.02,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 58       ( -0.254,   0.017,  -0.064)  ( -0.254,   0.019,  -0.062)  ( 0.02,  0.00,  0.02)
183:     bond    ( -0.040,  -1.500,   1.928)  ( -0.040,  -1.499,   1.930)  ( 0.00,  0.08,  0.11)
183:     angle   ( -1.136,   1.312,   0.995)  ( -1.135,   1.312,   0.995)  ( 0.05,  0.03,  0.02)
183:     strbnd  (  0.280,  -0.457,  -0.574)  (  0.280,  -0.457,  -0.574)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.158,   0.214,   0.170)  (  0.158,   0.214,   0.170)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.484,   0.449,  -2.583)  (  0.484,   0.449,  -2.583)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 59       ( -0.039,   0.371,   0.524)  ( -0.039,   0.373,   0.526)  ( 0.00,  0.07,  0.11)
183:     bond    (  0.250,   2.246,  -2.453)  (  0.250,   2.247,  -2.451)  ( 0.00,  0.07,  0.07)
183:     angle   ( -0.227,   0.092,   0.062)  ( -0.226,   0.092,   0.062)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.193,  -0.135,   1.231)  ( -0.193,  -0.135,   1.231)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.564,   2.085,   1.969)  (  0.564,   2.085,   1.969)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.433,  -3.917,  -0.285)  ( -0.433,  -3.917,  -0.285)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 60       ( -0.063,  -0.072,   0.504)  ( -0.062,  -0.071,   0.506)  ( 0.01,  0.01,  0.13)
183:     bond    (  0.260,   1.745,   3.031)  (  0.260,   1.746,   3.033)  ( 0.00,  0.05,  0.08)
183:     angle   (  3.751,  -1.603,   0.601)  (  3.752,  -1.603,   0.601)  ( 0.02,  0.02,  0.01)
183:     strbnd  ( -0.199,  -0.015,  -1.540)  ( -0.199,  -0.015,  -1.540)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.382,   1.853,  -0.948)  ( -1.382,   1.853,  -0.948)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.493,  -2.052,  -0.640)  ( -2.493,  -2.052,  -0.640)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 61       ( -0.281,   0.189,  -0.034)  ( -0.280,   0.192,  -0.033)  ( 0.02,  0.06,  0.00)
183:     bond    (  0.133,  -2.004,   0.580)  (  0.133,  -2.001,   0.581)  ( 0.00,  0.15,  0.02)
183:     angle   (  0.076,  -0.444,  -1.547)  (  0.077,  -0.444,  -1.546)  ( 0.00,  0.00,  0.04)
183:     strbnd  ( -0.121,  -0.013,   0.295)  ( -0.121,  -0.013,   0.295)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.940,   0.033,  -0.103)  (  0.940,   0.033,  -0.103)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.309,   2.616,   0.740)  ( -1.309,   2.616,   0.740)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 62       ( -0.037,   0.359,   0.037)  ( -0.037,   0.362,   0.038)  ( 0.00,  0.10,  0.00)
183:     bond    ( -0.580,   1.889,  -0.905)  ( -0.580,   1.891,  -0.905)  ( 0.01,  0.13,  0.05)
183:     angle   ( -0.273,   0.763,   1.769)  ( -0.273,   0.763,   1.769)  ( 0.01,  0.01,  0.02)
183:     strbnd  ( -0.325,   0.488,   0.279)  ( -0.325,   0.488,   0.279)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.294,   0.792,   0.827)  (  1.294,   0.792,   0.827)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.153,  -3.573,  -1.933)  ( -0.153,  -3.573,  -1.933)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 63       ( -0.297,   0.195,   0.097)  ( -0.296,   0.196,   0.100)  ( 0.03,  0.01,  0.03)
183:     bond    (  0.610,   0.315,   1.633)  (  0.610,   0.315,   1.636)  ( 0.02,  0.00,  0.18)
183:     angle   ( -1.418,   1.386,   0.261)  ( -1.418,   1.387,   0.261)  ( 0.03,  0.03,  0.00)
183:     strbnd  ( -0.282,   0.382,   0.365)  ( -0.282,   0.382,   0.365)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.426,   0.990,  -0.350)  (  0.426,   0.990,  -0.350)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.367,  -2.878,  -1.812)  (  0.367,  -2.878,  -1.812)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 64       (  1.903,   0.126,  -0.903)  (  1.903,   0.131,  -0.902)  ( 0.00,  0.07,  0.08)
183:     bond    (  0.052,   0.524,  -0.141)  (  0.052,   0.529,  -0.141)  ( 0.00,  0.27,  0.01)
183:     angle   (  0.150,  -0.836,  -3.088)  (  0.150,  -0.836,  -3.088)  ( 0.00,  0.00,  0.02)
183:     strbnd  ( -0.049,  -0.575,   0.050)  ( -0.049,  -0.575,   0.050)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.430,  -0.034,   0.030)  (  0.430,  -0.034,   0.030)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.052,   1.173,   1.899)  (  0.052,   1.173,   1.900)  ( 0.00,  0.00,  0.00)
183:     electro (  1.267,  -0.125,   0.347)  (  1.267,  -0.125,   0.347)  ( 0.00,  0.00,  0.00)
183: 65       (-13.463,  -0.711,   6.828)  (-13.458,  -0.711,   6.829)  ( 0.04,  0.02,  0.01)
183:     bond    (-17.085,  -2.760,   0.383)  (-17.080,  -2.760,   0.384)  ( 0.03,  0.01,  0.00)
183:     angle   (  0.082,  -0.169,   2.424)  (  0.082,  -0.169,   2.425)  ( 0.00,  0.00,  0.02)
183:     strbnd  (  0.390,   0.135,  -0.958)  (  0.390,   0.135,  -0.958)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.084,   0.524,   0.039)  ( -0.084,   0.524,   0.039)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.216,   1.133,   7.265)  ( -1.216,   1.133,   7.265)  ( 0.00,  0.00,  0.00)
183:     electro (  4.450,   0.427,  -2.326)  (  4.450,   0.427,  -2.326)  ( 0.00,  0.00,  0.00)
183: ok 14 # gradients 
183: ok 15 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/bipyrrole.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       ( -1.742,  28.428,  11.907)  ( -1.764,  28.344,  12.060)  ( 1.23,  0.30,  1.28)
183:     bond    (-17.707,   8.335,   2.191)  (-17.700,   8.340,   2.193)  ( 0.04,  0.06,  0.09)
183:     angle   ( 17.323,  25.618,  18.944)  ( 17.325,  25.620,  18.945)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -1.493,  -7.945,  -5.133)  ( -1.494,  -7.946,  -5.134)  ( 0.06,  0.01,  0.00)
183:     torsion (  0.601,   2.014,  -3.362)  (  0.601,   2.014,  -3.362)  ( 0.00,  0.01,  0.02)
183:     oop     (  0.117,   0.376,  -0.635)  (  0.088,   0.286,  -0.485)  ( 0.35,  3.38,  9.52)
183:     vdw     ( -0.601,  -0.190,  -0.199)  ( -0.601,  -0.190,  -0.199)  ( 0.00,  0.00,  0.00)
183:     electro (  0.018,   0.220,   0.101)  (  0.018,   0.220,   0.101)  ( 0.00,  0.00,  0.00)
183:  2       (-43.349,  -2.957,  -5.099)  (-43.316,  -2.878,  -5.218)  ( 0.08,  2.69,  2.34)
183:     bond    (-26.717,  -2.707,  -7.585)  (-26.711,  -2.702,  -7.583)  ( 0.02,  0.19,  0.02)
183:     angle   (-14.462,  -4.144,  -5.035)  (-14.460,  -4.143,  -5.035)  ( 0.01,  0.04,  0.01)
183:     strbnd  (  0.308,   7.811,   4.693)  (  0.308,   7.811,   4.693)  ( 0.01,  0.01,  0.01)
183:     torsion ( -0.735,  -2.026,   3.413)  ( -0.735,  -2.026,   3.414)  ( 0.00,  0.02,  0.03)
183:     oop     ( -0.154,  -0.448,   0.744)  ( -0.128,  -0.375,   0.621)  ( 0.40,  3.28,  9.11)
183:     vdw     ( -1.663,  -1.307,  -1.215)  ( -1.663,  -1.307,  -1.215)  ( 0.00,  0.00,  0.00)
183:     electro (  0.073,  -0.137,  -0.114)  (  0.073,  -0.137,  -0.114)  ( 0.00,  0.00,  0.00)
183:  3       ( 26.528,  25.489,  14.637)  ( 26.499,  25.389,  14.815)  ( 0.11,  0.39,  1.22)
183:     bond    ( 32.244,   7.181,  11.384)  ( 32.249,   7.186,  11.386)  ( 0.02,  0.06,  0.02)
183:     angle   ( -9.397,   6.895,   4.311)  ( -9.395,   6.897,   4.311)  ( 0.02,  0.02,  0.02)
183:     strbnd  (  5.047,   6.760,   5.135)  (  5.046,   6.759,   5.135)  ( 0.01,  0.01,  0.00)
183:     torsion (  1.173,   3.527,  -5.707)  (  1.173,   3.527,  -5.706)  ( 0.00,  0.01,  0.01)
183:     oop     (  0.194,   0.561,  -0.910)  (  0.158,   0.454,  -0.735)  ( 0.69,  5.96, 15.93)
183:     vdw     ( -2.822,   0.795,   0.719)  ( -2.822,   0.795,   0.719)  ( 0.00,  0.00,  0.00)
183:     electro (  0.089,  -0.229,  -0.294)  (  0.089,  -0.229,  -0.294)  ( 0.00,  0.00,  0.00)
183:  4       ( 30.352,   2.828,   6.301)  ( 30.363,   2.860,   6.551)  ( 0.04,  1.11,  3.98)
183:     bond    ( 44.923,   3.054,  10.850)  ( 44.929,   3.058,  10.852)  ( 0.01,  0.15,  0.02)
183:     angle   (-11.137,   3.853,   1.631)  (-11.135,   3.855,   1.632)  ( 0.02,  0.05,  0.04)
183:     strbnd  ( -0.803,  -4.122,  -2.305)  ( -0.804,  -4.123,  -2.306)  ( 0.08,  0.01,  0.01)
183:     torsion ( -0.049,  -0.229,  -1.535)  ( -0.049,  -0.229,  -1.535)  ( 0.00,  0.01,  0.05)
183:     oop     ( -0.023,  -0.118,  -0.821)  ( -0.020,  -0.093,  -0.574)  ( 0.01,  0.29, 20.32)
183:     vdw     ( -2.511,   0.309,  -1.489)  ( -2.511,   0.309,  -1.489)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.048,   0.082,  -0.029)  ( -0.048,   0.082,  -0.029)  ( 0.00,  0.00,  0.00)
183:  5       ( -7.959, -75.966, -41.392)  ( -7.969, -76.008, -41.306)  ( 0.13,  0.05,  0.21)
183:     bond    (  8.045, -42.089, -24.804)  (  8.052, -42.083, -24.802)  ( 0.09,  0.01,  0.01)
183:     angle   (-16.828, -30.092, -21.409)  (-16.826, -30.090, -21.409)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  5.512,  -1.560,   0.571)  (  5.511,  -1.560,   0.570)  ( 0.02,  0.01,  0.01)
183:     torsion ( -1.167,  -3.866,   6.122)  ( -1.167,  -3.866,   6.123)  ( 0.00,  0.01,  0.01)
183:     oop     (  0.067,   0.201,  -0.328)  (  0.049,   0.152,  -0.246)  ( 0.12,  0.98,  2.70)
183:     vdw     ( -3.591,   1.489,  -1.515)  ( -3.591,   1.489,  -1.515)  ( 0.00,  0.00,  0.00)
183:     electro (  0.003,  -0.050,  -0.029)  (  0.003,  -0.050,  -0.029)  ( 0.00,  0.00,  0.00)
183:  6       (-30.275,  -4.989,  10.254)  (-30.271,  -4.995,   9.731)  ( 0.01,  0.12,  5.10)
183:     bond    (-46.066,  -5.896,   0.687)  (-46.059,  -5.889,   0.688)  ( 0.01,  0.11,  0.01)
183:     angle   ( 11.582,  -5.904,   1.352)  ( 11.584,  -5.902,   1.352)  ( 0.02,  0.04,  0.01)
183:     strbnd  (  1.321,   5.298,   0.111)  (  1.319,   5.297,   0.111)  ( 0.08,  0.01,  0.00)
183:     torsion (  0.044,   1.140,   6.540)  (  0.044,   1.140,   6.541)  ( 0.00,  0.01,  0.02)
183:     oop     ( -0.012,   0.131,   2.561)  ( -0.015,   0.116,   2.037)  ( 0.00,  0.19, 20.47)
183:     vdw     (  2.802,   0.309,  -0.945)  (  2.802,   0.309,  -0.945)  ( 0.00,  0.00,  0.00)
183:     electro (  0.053,  -0.066,  -0.053)  (  0.053,  -0.066,  -0.053)  ( 0.00,  0.00,  0.00)
183:  7       ( 12.681,  86.824, -19.019)  ( 12.702,  86.782, -19.289)  ( 0.17,  0.05,  1.42)
183:     bond    ( -5.030,  48.598,  -6.009)  ( -5.023,  48.605,  -6.009)  ( 0.14,  0.01,  0.00)
183:     angle   ( 20.610,  38.351,  -5.278)  ( 20.612,  38.353,  -5.277)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -7.020,   1.621,  -1.168)  ( -7.021,   1.621,  -1.168)  ( 0.02,  0.02,  0.01)
183:     torsion (  0.098,  -1.110,  -6.501)  (  0.098,  -1.110,  -6.500)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.002,   0.211,   1.179)  (  0.015,   0.160,   0.909)  ( 0.00,  1.08, 22.95)
183:     vdw     (  4.021,  -0.905,  -1.238)  (  4.021,  -0.905,  -1.238)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.001,   0.057,  -0.004)  ( -0.001,   0.057,  -0.004)  ( 0.00,  0.00,  0.00)
183:  8       ( -0.291, -31.753,   6.515)  ( -0.281, -31.746,   6.468)  ( 0.30,  0.02,  0.71)
183:     bond    ( 17.320,  -9.193,   0.193)  ( 17.327,  -9.187,   0.193)  ( 0.04,  0.07,  0.00)
183:     angle   (-21.343, -31.556,   3.930)  (-21.342, -31.553,   3.930)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  3.117,   8.773,  -0.540)  (  3.116,   8.771,  -0.540)  ( 0.03,  0.01,  0.00)
183:     torsion (  0.062,   0.254,   3.026)  (  0.062,   0.254,   3.027)  ( 0.00,  0.00,  0.04)
183:     oop     ( -0.019,  -0.027,  -0.085)  ( -0.016,  -0.028,  -0.132)  ( 0.00,  0.00,  0.40)
183:     vdw     (  0.599,   0.238,  -0.003)  (  0.599,   0.238,  -0.003)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.028,  -0.242,  -0.006)  ( -0.028,  -0.242,  -0.006)  ( 0.00,  0.00,  0.00)
183:  9       ( 44.982,   3.387,   2.990)  ( 44.985,   3.386,   2.902)  ( 0.01,  0.03,  2.94)
183:     bond    ( 27.504,   4.642,  -1.536)  ( 27.511,   4.648,  -1.536)  ( 0.02,  0.14,  0.00)
183:     angle   ( 15.991,   5.308,  -0.805)  ( 15.993,   5.309,  -0.804)  ( 0.01,  0.04,  0.01)
183:     strbnd  ( -0.547,  -8.870,   0.817)  ( -0.547,  -8.870,   0.817)  ( 0.03,  0.01,  0.00)
183:     torsion (  0.167,   0.437,   4.249)  (  0.167,   0.437,   4.250)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.027,   0.073,   0.647)  (  0.022,   0.064,   0.558)  ( 0.01,  0.07,  5.77)
183:     vdw     (  1.899,   1.622,  -0.325)  (  1.899,   1.622,  -0.325)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.060,   0.176,  -0.057)  ( -0.060,   0.176,  -0.057)  ( 0.00,  0.00,  0.00)
183: 10       (-30.774, -26.770,  -2.379)  (-30.760, -26.705,  -1.847)  ( 0.04,  0.25, 22.36)
183:     bond    (-33.338, -10.219,   2.044)  (-33.333, -10.213,   2.044)  ( 0.02,  0.06,  0.00)
183:     angle   (  5.728,  -6.663,   4.844)  (  5.730,  -6.662,   4.844)  ( 0.04,  0.03,  0.01)
183:     strbnd  ( -5.454,  -7.832,   0.921)  ( -5.455,  -7.833,   0.921)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.215,  -0.970,  -8.075)  ( -0.215,  -0.970,  -8.074)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.036,  -0.302,  -2.716)  ( -0.029,  -0.244,  -2.185)  ( 0.02,  1.75, 19.54)
183:     vdw     (  2.593,  -1.118,   0.786)  (  2.593,  -1.118,   0.786)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.051,   0.334,  -0.183)  ( -0.051,   0.334,  -0.183)  ( 0.00,  0.00,  0.00)
183: 11       (-26.667, -22.028,   3.570)  (-26.663, -22.040,   3.403)  ( 0.01,  0.05,  4.70)
183:     bond    ( -1.917,  -0.727,  -0.074)  ( -1.913,  -0.722,  -0.070)  ( 0.20,  0.32,  0.03)
183:     angle   (-29.136, -26.052,   2.735)  (-29.134, -26.050,   2.736)  ( 0.01,  0.01,  0.05)
183:     strbnd  (  4.010,   7.688,  -1.200)  (  4.009,   7.687,  -1.200)  ( 0.01,  0.02,  0.04)
183:     torsion (  0.015,   0.059,   0.642)  (  0.015,   0.059,   0.642)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.009,   0.064,   0.656)  (  0.007,   0.046,   0.483)  ( 0.00,  0.11, 11.35)
183:     vdw     (  0.354,  -2.969,   0.608)  (  0.354,  -2.969,   0.608)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.002,  -0.091,   0.203)  ( -0.002,  -0.091,   0.203)  ( 0.00,  0.00,  0.00)
183: 12       ( -2.870,   3.726,  -2.257)  ( -2.866,   3.733,  -2.186)  ( 0.13,  0.18,  3.13)
183:     bond    ( -1.203,  -0.681,   0.064)  ( -1.200,  -0.680,   0.064)  ( 0.25,  0.07,  0.00)
183:     angle   ( -3.337,   5.858,  -0.289)  ( -3.337,   5.858,  -0.289)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  0.884,  -1.534,   0.070)  (  0.884,  -1.534,   0.070)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.026,  -0.127,  -1.856)  ( -0.026,  -0.127,  -1.856)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.003,  -0.017,  -0.242)  ( -0.002,  -0.012,  -0.171)  ( 0.00,  0.01,  1.70)
183:     vdw     (  0.644,   0.265,  -0.021)  (  0.644,   0.265,  -0.021)  ( 0.00,  0.00,  0.00)
183:     electro (  0.172,  -0.037,   0.018)  (  0.172,  -0.037,   0.018)  ( 0.00,  0.00,  0.00)
183: 13       ( -3.039,  -3.637,  -0.645)  ( -3.036,  -3.632,  -0.621)  ( 0.10,  0.13,  1.57)
183:     bond    ( -1.376,   1.267,  -0.103)  ( -1.374,   1.269,  -0.103)  ( 0.15,  0.14,  0.00)
183:     angle   ( -4.815,  -5.170,   0.545)  ( -4.815,  -5.170,   0.545)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  1.880,   0.883,  -0.174)  (  1.880,   0.883,  -0.174)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.019,  -0.089,  -0.837)  ( -0.019,  -0.089,  -0.837)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.002,  -0.010,  -0.098)  ( -0.002,  -0.008,  -0.074)  ( 0.00,  0.00,  0.23)
183:     vdw     (  1.159,  -0.292,  -0.017)  (  1.159,  -0.292,  -0.017)  ( 0.00,  0.00,  0.00)
183:     electro (  0.134,  -0.226,   0.039)  (  0.134,  -0.226,   0.039)  ( 0.00,  0.00,  0.00)
183: 14       ( 26.477,  19.962,  14.448)  ( 26.502,  20.025,  14.358)  ( 0.09,  0.32,  0.62)
183:     bond    (  2.000,   0.807,   0.393)  (  2.004,   0.812,   0.397)  ( 0.19,  0.36,  0.17)
183:     angle   ( 29.017,  24.625,  15.667)  ( 29.019,  24.627,  15.669)  ( 0.01,  0.01,  0.01)
183:     strbnd  ( -3.684,  -7.464,  -4.429)  ( -3.685,  -7.465,  -4.430)  ( 0.02,  0.01,  0.02)
183:     torsion ( -0.089,  -0.284,   0.463)  ( -0.089,  -0.284,   0.463)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.074,  -0.220,   0.362)  ( -0.055,  -0.162,   0.267)  ( 0.14,  1.28,  3.46)
183:     vdw     ( -0.663,   2.502,   1.775)  ( -0.663,   2.502,   1.775)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.030,  -0.005,   0.217)  ( -0.030,  -0.005,   0.217)  ( 0.00,  0.00,  0.00)
183: 15       (  3.238,  -4.313,  -1.243)  (  3.260,  -4.253,  -1.338)  ( 0.67,  1.38,  7.68)
183:     bond    (  1.169,   0.545,   0.557)  (  1.172,   0.545,   0.558)  ( 0.23,  0.03,  0.03)
183:     angle   (  3.953,  -5.603,  -2.827)  (  3.953,  -5.602,  -2.827)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -0.998,   1.310,   0.666)  ( -0.998,   1.310,   0.666)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.049,  -0.169,   0.268)  ( -0.049,  -0.169,   0.269)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.064,  -0.204,   0.334)  ( -0.045,  -0.145,   0.237)  ( 0.12,  1.19,  3.22)
183:     vdw     ( -0.604,  -0.224,  -0.242)  ( -0.604,  -0.224,  -0.242)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.168,   0.032,   0.001)  ( -0.168,   0.032,   0.001)  ( 0.00,  0.00,  0.00)
183: 16       (  2.827,   3.165,   1.873)  (  2.825,   3.154,   1.894)  ( 0.07,  0.35,  1.16)
183:     bond    (  1.377,  -1.119,  -0.400)  (  1.379,  -1.118,  -0.400)  ( 0.16,  0.13,  0.01)
183:     angle   (  4.447,   4.280,   3.375)  (  4.447,   4.280,   3.375)  ( 0.01,  0.01,  0.01)
183:     strbnd  ( -1.774,  -0.686,  -0.825)  ( -1.774,  -0.686,  -0.825)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.054,   0.148,  -0.229)  (  0.054,   0.148,  -0.229)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.018,   0.053,  -0.087)  (  0.013,   0.040,  -0.065)  ( 0.01,  0.07,  0.18)
183:     vdw     ( -1.150,   0.297,  -0.072)  ( -1.149,   0.297,  -0.072)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.145,   0.192,   0.110)  ( -0.145,   0.192,   0.110)  ( 0.00,  0.00,  0.00)
183: 17       ( 10.855,  29.221,  17.768)  ( 10.869,  29.262,  17.706)  ( 0.13,  0.14,  0.35)
183:     bond    ( -3.169,  26.110,  15.008)  ( -3.169,  26.113,  15.009)  ( 0.01,  0.01,  0.01)
183:     angle   ( 14.067,   0.347,   2.366)  ( 14.068,   0.347,   2.366)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.226,   2.694,   1.435)  ( -0.226,   2.694,   1.435)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.187,   0.538,  -0.897)  (  0.187,   0.538,  -0.897)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.055,  -0.172,   0.287)  ( -0.042,  -0.134,   0.224)  ( 0.07,  0.65,  1.81)
183:     vdw     ( -0.563,  -0.467,  -0.562)  ( -0.563,  -0.467,  -0.562)  ( 0.00,  0.00,  0.00)
183:     electro (  0.615,   0.171,   0.131)  (  0.615,   0.171,   0.131)  ( 0.00,  0.00,  0.00)
183: 18       (-14.723, -32.439,  10.525)  (-14.730, -32.402,  10.710)  ( 0.05,  0.11,  1.75)
183:     bond    (  1.321, -29.709,   5.246)  (  1.321, -29.705,   5.247)  ( 0.01,  0.01,  0.01)
183:     angle   (-16.050,  -0.489,   1.274)  (-16.050,  -0.489,   1.274)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  0.072,  -3.233,   0.861)  (  0.072,  -3.233,   0.861)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.052,   0.751,   4.265)  ( -0.052,   0.751,   4.266)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.009,  -0.150,  -0.851)  (  0.001,  -0.118,  -0.667)  ( 0.01,  0.48, 15.66)
183:     vdw     (  0.603,   0.572,  -0.221)  (  0.603,   0.572,  -0.221)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.625,  -0.180,  -0.050)  ( -0.625,  -0.180,  -0.050)  ( 0.00,  0.00,  0.00)
183: 19       ( -9.549, -16.055,  -9.499)  ( -9.547, -16.054,  -9.498)  ( 0.02,  0.01,  0.01)
183:     bond    (  6.549,  -6.489,  -5.236)  (  6.550,  -6.488,  -5.235)  ( 0.02,  0.02,  0.02)
183:     angle   (-15.891, -11.333,  -5.837)  (-15.890, -11.333,  -5.837)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -1.046,   0.503,   0.436)  ( -1.046,   0.503,   0.436)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.839,   1.264,   1.139)  (  0.839,   1.264,   1.139)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       ( -6.872,  -6.628,  -8.449)  ( -6.870,  -6.627,  -8.448)  ( 0.02,  0.01,  0.02)
183:     bond    ( -7.287,   3.445,  -8.054)  ( -7.286,   3.445,  -8.052)  ( 0.02,  0.01,  0.02)
183:     angle   ( -1.156, -10.327,  -3.372)  ( -1.156, -10.326,  -3.372)  ( 0.02,  0.01,  0.01)
183:     strbnd  (  1.415,  -1.060,   1.430)  (  1.415,  -1.060,   1.430)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.156,   1.313,   1.547)  (  0.156,   1.313,   1.547)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       ( -5.154, -11.419,  -3.897)  ( -5.153, -11.418,  -3.895)  ( 0.02,  0.01,  0.04)
183:     bond    ( -5.951,  -7.142,   6.246)  ( -5.950,  -7.141,   6.247)  ( 0.02,  0.02,  0.02)
183:     angle   ( -0.744,  -6.990,  -8.698)  ( -0.743,  -6.990,  -8.698)  ( 0.02,  0.00,  0.01)
183:     strbnd  (  1.377,   1.441,  -1.809)  (  1.377,   1.441,  -1.809)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.163,   1.273,   0.365)  (  0.163,   1.273,   0.365)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       (  6.707,  14.950,  -4.095)  (  6.709,  14.951,  -4.094)  ( 0.04,  0.00,  0.03)
183:     bond    ( 10.180,   0.038,  -5.182)  ( 10.183,   0.038,  -5.181)  ( 0.02,  0.00,  0.01)
183:     angle   ( -0.643,  16.864,  -1.139)  ( -0.642,  16.864,  -1.139)  ( 0.01,  0.00,  0.03)
183:     strbnd  ( -2.565,   0.430,   1.327)  ( -2.565,   0.430,   1.327)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.266,  -2.382,   0.899)  ( -0.266,  -2.382,   0.899)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       (  7.712,   7.044,   4.929)  (  7.712,   7.045,   4.931)  ( 0.01,  0.01,  0.05)
183:     bond    (  2.115,   4.636,   9.930)  (  2.115,   4.637,   9.932)  ( 0.01,  0.01,  0.02)
183:     angle   (  6.274,   3.725,  -3.075)  (  6.274,   3.725,  -3.075)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.199,  -0.342,  -1.642)  ( -0.199,  -0.342,  -1.642)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.477,  -0.975,  -0.284)  ( -0.477,  -0.975,  -0.284)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       ( 10.798,  13.827,  -7.791)  ( 10.799,  13.829,  -7.790)  ( 0.01,  0.01,  0.02)
183:     bond    ( -5.076,   7.231,  -5.839)  ( -5.075,   7.232,  -5.838)  ( 0.01,  0.02,  0.02)
183:     angle   ( 15.920,   8.574,  -3.218)  ( 15.920,   8.575,  -3.218)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  0.876,  -0.556,   0.755)  (  0.876,  -0.556,   0.755)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.922,  -1.422,   0.511)  ( -0.922,  -1.422,   0.511)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 16 # gradients 
183: ok 17 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/buckyball.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       ( 75.919,  23.900,  -8.357)  ( 75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
183:     bond    ( 43.256,   7.487, -14.578)  ( 43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
183:     angle   ( -0.077,   0.026,  -0.013)  ( -0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 27.650,   7.696,  -4.671)  ( 27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.018,   0.018,   0.030)  ( -0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.004,   0.006,   0.012)  ( -0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.113,   8.667,  10.865)  (  5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  2       ( -0.007,  70.694, -37.613)  (  0.000,  70.701, -37.611)  ( 0.00,  0.01,  0.01)
183:     bond    ( -0.003,  34.123, -31.161)  (  0.000,  34.128, -31.160)  ( 0.00,  0.01,  0.00)
183:     angle   ( -0.002,   0.021,  -0.051)  (  0.000,   0.022,  -0.051)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -0.001,  24.741, -15.277)  (  0.000,  24.742, -15.276)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.007,  -0.022)  ( -0.000,  -0.006,  -0.021)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.005,  -0.010)  ( -0.000,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000,  11.821,   8.908)  (  0.000,  11.821,   8.908)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       ( -0.007, -70.710, -37.613)  (  0.000, -70.701, -37.611)  ( 0.00,  0.01,  0.01)
183:     bond    ( -0.003, -34.133, -31.161)  (  0.000, -34.128, -31.160)  ( 0.00,  0.01,  0.00)
183:     angle   ( -0.002,  -0.024,  -0.051)  (  0.000,  -0.022,  -0.051)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -0.001, -24.743, -15.277)  (  0.000, -24.742, -15.276)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,   0.006,  -0.022)  (  0.000,   0.006,  -0.021)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.005,  -0.010)  (  0.000,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000, -11.821,   8.908)  ( -0.000, -11.821,   8.908)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       ( 75.919, -23.913,  -8.357)  ( 75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
183:     bond    ( 43.256,  -7.494, -14.578)  ( 43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
183:     angle   ( -0.077,  -0.029,  -0.013)  ( -0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 27.650,  -7.698,  -4.671)  ( 27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.018,  -0.018,   0.030)  ( -0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.004,  -0.006,   0.012)  ( -0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.113,  -8.667,  10.865)  (  5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       (-38.554,  47.292, -52.215)  (-38.549,  47.297, -52.209)  ( 0.01,  0.01,  0.01)
183:     bond    (-12.136,  26.876, -35.755)  (-12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
183:     angle   ( -0.007,   0.078,   0.012)  ( -0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  (-12.414,  17.157, -20.001)  (-12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.017,   0.014,  -0.020)  (  0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,   0.002,  -0.006)  (  0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-14.019,   3.164,   3.556)  (-14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  6       (-38.554, -47.306, -52.215)  (-38.549, -47.297, -52.209)  ( 0.01,  0.02,  0.01)
183:     bond    (-12.136, -26.884, -35.755)  (-12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
183:     angle   ( -0.007,  -0.081,   0.012)  ( -0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  (-12.414, -17.160, -20.001)  (-12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.017,  -0.014,  -0.020)  (  0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,  -0.002,  -0.006)  (  0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-14.019,  -3.165,   3.556)  (-14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  7       (-75.934,  23.900,  -8.357)  (-75.928,  23.905,  -8.353)  ( 0.01,  0.02,  0.04)
183:     bond    (-43.264,   7.487, -14.578)  (-43.260,   7.491, -14.577)  ( 0.01,  0.04,  0.01)
183:     angle   (  0.075,   0.026,  -0.013)  (  0.076,   0.028,  -0.012)  ( 0.01,  0.00,  0.00)
183:     strbnd  (-27.652,   7.696,  -4.671)  (-27.651,   7.697,  -4.670)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.017,   0.018,   0.030)  (  0.018,   0.018,   0.030)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.004,   0.006,   0.012)  (  0.002,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.113,   8.667,  10.865)  ( -5.113,   8.667,  10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  8       (-75.934, -23.913,  -8.357)  (-75.928, -23.905,  -8.353)  ( 0.01,  0.03,  0.04)
183:     bond    (-43.264,  -7.494, -14.578)  (-43.260,  -7.491, -14.577)  ( 0.01,  0.04,  0.01)
183:     angle   (  0.075,  -0.029,  -0.013)  (  0.076,  -0.028,  -0.012)  ( 0.01,  0.00,  0.00)
183:     strbnd  (-27.652,  -7.698,  -4.671)  (-27.651,  -7.697,  -4.670)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.017,  -0.018,   0.030)  (  0.018,  -0.018,   0.030)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.004,  -0.006,   0.012)  (  0.002,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.113,  -8.667,  10.865)  ( -5.113,  -8.667,  10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       ( 47.292,  52.205,  38.542)  ( 47.297,  52.209,  38.549)  ( 0.01,  0.01,  0.02)
183:     bond    ( 26.876,  35.751,  12.130)  ( 26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  0.078,  -0.014,   0.005)  (  0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 17.157,  20.000,  12.412)  ( 17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.014,   0.019,  -0.017)  (  0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.002,   0.006,  -0.006)  (  0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.164,  -3.556,  14.019)  (  3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 10       (  8.348,  75.919,  23.900)  (  8.353,  75.928,  23.905)  ( 0.06,  0.01,  0.02)
183:     bond    ( 14.575,  43.256,   7.487)  ( 14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
183:     angle   (  0.011,  -0.077,   0.026)  (  0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  4.670,  27.650,   7.696)  (  4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.031,  -0.018,   0.018)  ( -0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.012,  -0.004,   0.006)  ( -0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-10.865,   5.113,   8.667)  (-10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 11       (  8.348, -75.934,  23.900)  (  8.353, -75.928,  23.905)  ( 0.06,  0.01,  0.02)
183:     bond    ( 14.575, -43.264,   7.487)  ( 14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
183:     angle   (  0.011,   0.075,   0.026)  (  0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  4.670, -27.652,   7.696)  (  4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.031,   0.017,   0.018)  ( -0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.012,   0.004,   0.006)  ( -0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-10.865,  -5.113,   8.667)  (-10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 12       ( 47.292, -52.215,  38.542)  ( 47.297, -52.209,  38.549)  ( 0.01,  0.01,  0.02)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
181:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
181:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
181:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
181:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
181:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
181:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
181:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
181:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
181:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
181:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
181:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
181:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
181:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
181:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 18 # gradients 
181: ok 19 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( 47.614,  10.906,   0.039)  ( 47.621,  10.915,   0.093)  ( 0.02,  0.08,  0.21)
181:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
181:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
181:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
181:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
181:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
181:     electro (  2.412,   2.988,  -0.017)  (  2.412,   2.988,  -0.017)  ( 0.00,  0.00,  0.00)
181:  2       (-60.261, -26.975,  -1.911)  (-60.251, -26.967,  -1.824)  ( 0.02,  0.03,  4.56)
181:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
181:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
181:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
181:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
181:     oop     ( -0.003,   0.003,  -0.342)  ( -0.002,   0.003,  -0.256)  ( 0.00,  0.00,  2.94)
181:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
181:     electro ( -2.243,   8.169,   0.021)  ( -2.243,   8.169,   0.021)  ( 0.00,  0.00,  0.00)
181:  3       ( 23.923, -14.162,   0.682)  ( 23.930, -14.154,   0.630)  ( 0.03,  0.06,  3.56)
181:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
181:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
181:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.006,   0.806,   0.449)  (  0.006,   0.806,   0.450)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.002,  -0.000,   0.198)  (  0.001,  -0.000,   0.145)  ( 0.00,  0.00,  1.06)
181:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
181:     electro ( -8.034,  -0.879,  -0.025)  ( -8.034,  -0.879,  -0.025)  ( 0.00,  0.00,  0.00)
181:  4       (  0.151,  -4.788,  -0.160)  (  0.160,  -4.776,  -0.094)  ( 0.15,  0.26,  1.05)
181:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
181:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
181:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.002,   0.006,   0.844)  (  0.002,   0.006,   0.845)  ( 0.00,  0.00,  0.09)
181:     oop     ( -0.003,  -0.003,  -0.380)  ( -0.002,  -0.003,  -0.316)  ( 0.00,  0.00,  2.45)
181:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
181:     electro ( -7.539, -10.463,  -0.002)  ( -7.539, -10.463,  -0.002)  ( 0.00,  0.00,  0.00)
181:  5       ( 32.855,  54.085,  -1.761)  ( 32.859,  54.093,  -1.789)  ( 0.01,  0.01,  1.56)
181:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
181:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
181:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,   0.000,   0.055)  (  0.001,   0.000,   0.055)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
181:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.154,  -4.786,   0.041)  ( -4.154,  -4.786,   0.041)  ( 0.00,  0.00,  0.00)
181:  6       ( -0.214,   8.915,  -1.332)  ( -0.206,   8.924,  -1.372)  ( 0.18,  0.09,  3.00)
181:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
181:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
181:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.474,  -0.285,  -2.183)  ( -0.474,  -0.285,  -2.182)  ( 0.00,  0.00,  0.04)
181:     oop     ( -0.000,   0.000,   0.253)  (  0.000,   0.000,   0.212)  ( 0.00,  0.00,  1.05)
181:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
181:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
181:  7       ( -6.401,  -0.928,  -0.439)  ( -6.387,  -0.919,  -0.348)  ( 0.22,  0.80,  4.02)
181:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
181:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
181:     torsion ( -0.007,  -0.000,   0.644)  ( -0.007,  -0.000,   0.645)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.002,  -0.000,  -0.666)  (  0.002,   0.000,  -0.576)  ( 0.00,  0.00,  6.05)
181:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
181:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
181:  8       (-50.729,  -2.197,  -0.504)  (-50.718,  -2.195,  -0.571)  ( 0.02,  0.05,  3.40)
181:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
181:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
181:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.000,  -0.092)  (  0.001,  -0.000,  -0.092)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
181:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
181:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
181:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
181:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
181:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
181:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
181:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
181:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
181: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
181:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
181:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
181:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
181: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
181:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
181:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
181:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
181:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
181:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
181: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
181:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
181:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
181:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
181:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
181:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
181: 13       (-13.749,  -4.822,   1.563)  (-13.744,  -4.816,   1.558)  ( 0.03,  0.14,  0.30)
181:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
181:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
181:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
181:     torsion (  0.058,  -4.145,   1.734)  (  0.058,  -4.145,   1.735)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.001,   0.000,   0.059)  (  0.001,   0.000,   0.049)  ( 0.00,  0.00,  0.06)
181:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
181: 14       (  9.601, -11.203,   4.735)  (  9.607, -11.198,   4.730)  ( 0.06,  0.04,  0.10)
181:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
181:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
181:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
181:     torsion (  2.428,   1.397,   5.331)  (  2.428,   1.397,   5.331)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.001,   0.069)  ( -0.000,   0.001,   0.058)  ( 0.00,  0.00,  0.07)
181:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
181:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
181: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
181:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
181:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
181:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
181:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
181: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
181:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
181:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
181:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
181:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
181:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
181:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.949,   1.850,  -2.966)  ( -0.948,   1.851,  -2.963)  ( 0.08,  0.03,  0.10)
181:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
181:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.009,   1.445,   0.399)  ( -0.009,   1.445,   0.399)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (  3.215,  -1.417,   1.360)  (  3.216,  -1.414,   1.361)  ( 0.03,  0.21,  0.04)
181:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
181:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.012,  -0.046)  ( -0.000,  -0.012,  -0.046)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (  1.306,   2.523,   1.573)  (  1.307,   2.525,   1.575)  ( 0.07,  0.07,  0.12)
181:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
181:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
181:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.038,   1.895,  -1.876)  ( -0.038,   1.895,  -1.876)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( -3.084,   0.782,   1.224)  ( -3.081,   0.783,   1.225)  ( 0.08,  0.05,  0.13)
181:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
181:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.641,  -0.927,  -2.234)  ( -1.641,  -0.927,  -2.234)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -2.117,   4.656,   0.658)  ( -2.116,   4.658,   0.658)  ( 0.09,  0.05,  0.05)
181:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
181:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
181:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.579,   0.295,  -1.806)  (  0.579,   0.295,  -1.806)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( -0.478,  -1.559,  -3.030)  ( -0.478,  -1.559,  -3.027)  ( 0.03,  0.04,  0.10)
181:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
181:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
181:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.889,  -0.485,   0.185)  ( -0.890,  -0.485,   0.185)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 20 # gradients 
181: ok 21 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
181:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
181:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
181:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
181:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
181:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
181:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
181:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
181:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
181:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
181:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
181:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
181:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
181:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
181:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
181:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
181:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
181:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
181:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
181:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
181:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
181:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
181:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
181:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
181:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
181:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
181:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
181:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
181:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
181:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
181:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
181:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
181:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
181:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
181:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
181:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
181:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
181:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
181:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
181:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
181:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
181:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
181:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
181:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
181:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
181:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
181:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
181:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
181:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
181:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
181:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
181:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
181:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
181:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
181:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
181:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
181:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
181:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
181:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
181:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
181:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
181:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
181:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
181:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
181:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
181:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
181:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
181:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
181:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
181:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
181:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
181:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
181:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
181:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
181:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
181:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
181:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
181:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
181:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
181:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
181:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
181:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
181:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
181:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
181:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
181:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
181:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
181:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
181:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
181:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
181:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
181:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
181:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
181:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
181:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
181:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
181:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
181:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
181:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
181:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
181:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
181:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
181:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
181:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
181:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
181:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
181:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
181:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
181:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
181:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
181:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
181:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
181:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
181:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
181: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
181:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
181:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
181:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
181:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
181:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
181:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
181:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
179:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro (  1.393,  -2.782,  -0.018)  (  1.393,  -2.782,  -0.018)  ( 0.00,  0.00,  0.00)
179:  7       ( -6.398,  -0.930,  -0.886)  ( -6.384,  -0.921,  -0.765)  ( 0.22,  0.80, 10.80)
179:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
179:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
179:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
179:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
179:     electro ( 18.330,   5.865,   0.006)  ( 18.330,   5.865,   0.006)  ( 0.00,  0.00,  0.00)
179:  8       (-50.729,  -2.197,  -0.507)  (-50.718,  -2.195,  -0.575)  ( 0.02,  0.05,  3.43)
179:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
179:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
179:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
179:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
179:     electro (  2.458,  -0.395,  -0.067)  (  2.458,  -0.395,  -0.067)  ( 0.00,  0.00,  0.00)
179:  9       (-32.034, -12.171,  -0.517)  (-32.026, -12.162,  -0.554)  ( 0.03,  0.07,  1.89)
179:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
179:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
179:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
179:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.381,   0.689,   0.005)  ( -0.381,   0.689,   0.005)  ( 0.00,  0.00,  0.00)
179: 10       (-11.709, -23.421,  -0.019)  (-11.704, -23.415,  -0.082)  ( 0.04,  0.03,  0.12)
179:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
179:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
179:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.035,   5.639,   0.027)  ( -1.035,   5.639,   0.027)  ( 0.00,  0.00,  0.00)
179: 11       ( 35.827,   8.607,  -0.338)  ( 35.834,   8.614,  -0.245)  ( 0.02,  0.08,  3.13)
179:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
179:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
179:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
179:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
179:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.073,  -0.076,  -0.001)  ( -0.073,  -0.076,  -0.001)  ( 0.00,  0.00,  0.00)
179: 12       ( 16.696,   4.159,   1.198)  ( 16.701,   4.165,   1.188)  ( 0.03,  0.16,  0.77)
179:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
179:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
179:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
179:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
179:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.796,   1.928,   0.020)  ( -0.796,   1.928,   0.020)  ( 0.00,  0.00,  0.00)
179: 13       (-13.757,  -4.403,   1.127)  (-13.752,  -4.397,   1.147)  ( 0.04,  0.15,  1.78)
179:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
179:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
179:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
179:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
179:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.950,   1.606,   0.003)  ( -4.950,   1.606,   0.003)  ( 0.00,  0.00,  0.00)
179: 14       (  9.355, -11.349,   3.836)  (  9.361, -11.344,   3.856)  ( 0.06,  0.05,  0.53)
179:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
179:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
179:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
179:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
179:     electro (  4.091,  -6.495,   0.019)  (  4.091,  -6.495,   0.019)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.465,   5.538,   0.483)  ( -0.465,   5.543,   0.432)  ( 0.04,  0.09,  2.45)
179:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
179:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
179:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
179:     electro (  0.520,  -1.008,  -0.012)  (  0.520,  -1.008,  -0.012)  ( 0.00,  0.00,  0.00)
179: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
179:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
179:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
179:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
179:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
179:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
179:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
179:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
179:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
179:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
179:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
179:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
179:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
179:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
179:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
179:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
179:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
179:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
179:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 20 # gradients 
179: ok 21 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.967,   0.259,  -0.197)  (  0.972,   0.264,  -0.191)  ( 0.49,  0.14,  0.12)
179:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
179:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
179:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.625,  -0.501,  -0.156)  ( -0.625,  -0.501,  -0.156)  ( 0.00,  0.00,  0.00)
179:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
179:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
179:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
179:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
179:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
179:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
179:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
179:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
179:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  1.701,   0.453,   0.308)  (  1.706,   0.472,   0.382)  ( 0.30,  0.89,  2.27)
179:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
179:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
179:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
179:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
179:     electro (  0.253,   0.395,   0.484)  (  0.253,   0.395,   0.484)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.881,   4.561,  -0.394)  ( -7.870,   4.527,  -0.600)  ( 0.14,  0.76,  8.12)
179:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
179:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
179:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
179:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
179:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
179:     electro (  1.419,   0.332,  -0.159)  (  1.419,   0.332,  -0.159)  ( 0.00,  0.00,  0.00)
179:  6       (  8.807,  -4.640,   1.194)  (  8.816,  -4.626,   1.216)  ( 0.11,  0.29,  1.77)
179:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
179:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
179:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
179:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
179:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.127,   0.114,  -0.383)  (  0.127,   0.114,  -0.383)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.810,   0.444,  -0.283)  ( -0.806,   0.452,  -0.254)  ( 0.32,  0.37,  0.83)
179:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
179:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
179:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
179:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
179:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
179:     electro (  0.815,  -0.158,   0.163)  (  0.815,  -0.158,   0.163)  ( 0.00,  0.00,  0.00)
179:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
179:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
179:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
179:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
179:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
179:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
179:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
179:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
179:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
179:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
179:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
179:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
179:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
179:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
179:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
179:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
179:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
179:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
179:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
179:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
179:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
179:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
179:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
179:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
179:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
179:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
179:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
179:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
179:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
179:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
179:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
179:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
179:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
179:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
179:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
179:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
179:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
179:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
179:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
179:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
179:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
179:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
179:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
179:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
179:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
179:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
179:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
179:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
179:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
179:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
179:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
179:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
179:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
179:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
179:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
179:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
179:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
179:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
179:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
179:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
179:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
179:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
179:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
179:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  1.237,  -0.464,   0.129)  (  1.240,  -0.447,   0.209)  ( 0.28,  0.80,  1.04)
179:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
179:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
179:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
179:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
179:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.621,   0.690,   0.148)  ( -0.621,   0.690,   0.148)  ( 0.00,  0.00,  0.00)
179: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
179:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
179:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
179:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.896,  -0.479,  -0.925)  (  0.900,  -0.477,  -0.920)  ( 0.38,  0.08,  0.45)
179:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
179:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
179:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
179: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
179:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
179:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
179:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
179:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
179:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
179:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
179:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
179:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
179:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
179:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
179:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
179:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
179:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
179:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
179:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
179:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
179:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
179:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
179:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
179:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
179:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
179:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
179:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
179:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
179:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
179:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
179:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
179:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
179:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
179:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
191/229 Test #194: test_math_1 ......................   Passed   16.04 sec
test 195
        Start 195: test_math_2

195: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "math" "2"
195: Environment variables: 
195:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
195:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
195: Test timeout computed to be: 1500
183:     bond    ( 26.876, -35.755,  12.130)  ( 26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  0.078,   0.012,   0.005)  (  0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 17.157, -20.001,  12.412)  ( 17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.014,  -0.020,  -0.017)  (  0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.002,  -0.006,  -0.006)  (  0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.164,   3.556,  14.019)  (  3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       ( 52.205, -38.554, -47.306)  ( 52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
183:     bond    ( 35.751, -12.136, -26.884)  ( 35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
183:     angle   ( -0.014,  -0.007,  -0.081)  ( -0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( 20.000, -12.414, -17.160)  ( 20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.019,   0.017,  -0.014)  (  0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,   0.005,  -0.002)  (  0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.556, -14.019,  -3.165)  ( -3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 14       (-23.913,   8.348, -75.934)  (-23.905,   8.353, -75.928)  ( 0.03,  0.06,  0.01)
183:     bond    ( -7.494,  14.575, -43.264)  ( -7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
183:     angle   ( -0.029,   0.011,   0.075)  ( -0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -7.698,   4.670, -27.652)  ( -7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.018,  -0.031,   0.017)  ( -0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,  -0.012,   0.004)  ( -0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.667, -10.865,  -5.113)  ( -8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 15       ( 52.205, -38.554,  47.292)  ( 52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
183:     bond    ( 35.751, -12.136,  26.876)  ( 35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
183:     angle   ( -0.014,  -0.007,   0.078)  ( -0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( 20.000, -12.414,  17.157)  ( 20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.019,   0.017,   0.014)  (  0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,   0.005,   0.002)  (  0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.556, -14.019,   3.164)  ( -3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 16       (-70.710,  37.607,  -0.007)  (-70.701,  37.611,  -0.000)  ( 0.01,  0.01,  0.00)
183:     bond    (-34.133,  31.159,  -0.003)  (-34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   ( -0.024,   0.050,  -0.002)  ( -0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-24.743,  15.275,  -0.001)  (-24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.006,   0.020,  -0.000)  (  0.006,   0.021,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,   0.010,  -0.000)  (  0.005,   0.011,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (-11.821,  -8.908,  -0.000)  (-11.821,  -8.908,  -0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 17       ( 38.542, -47.306, -52.215)  ( 38.549, -47.297, -52.209)  ( 0.02,  0.02,  0.01)
183:     bond    ( 12.130, -26.884, -35.755)  ( 12.133, -26.880, -35.753)  ( 0.03,  0.01,  0.01)
183:     angle   (  0.005,  -0.081,   0.012)  (  0.006,  -0.079,   0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( 12.412, -17.160, -20.001)  ( 12.413, -17.159, -20.000)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.017,  -0.014,  -0.020)  ( -0.017,  -0.014,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,  -0.002,  -0.006)  ( -0.004,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 14.019,  -3.165,   3.556)  ( 14.019,  -3.165,   3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 18       (-47.306,  52.205,  38.542)  (-47.297,  52.209,  38.549)  ( 0.02,  0.01,  0.02)
183:     bond    (-26.884,  35.751,  12.130)  (-26.880,  35.753,  12.133)  ( 0.01,  0.01,  0.03)
183:     angle   ( -0.081,  -0.014,   0.005)  ( -0.079,  -0.013,   0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  (-17.160,  20.000,  12.412)  (-17.159,  20.000,  12.413)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.014,   0.019,  -0.017)  ( -0.014,   0.019,  -0.017)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.002,   0.006,  -0.006)  ( -0.001,   0.005,  -0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.165,  -3.556,  14.019)  ( -3.165,  -3.556,  14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 19       (-23.913,   8.348,  75.919)  (-23.905,   8.353,  75.928)  ( 0.03,  0.06,  0.01)
183:     bond    ( -7.494,  14.575,  43.256)  ( -7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
183:     angle   ( -0.029,   0.011,  -0.077)  ( -0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -7.698,   4.670,  27.650)  ( -7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.018,  -0.031,  -0.018)  ( -0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,  -0.012,  -0.004)  ( -0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.667, -10.865,   5.113)  ( -8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       ( 23.900,   8.348, -75.934)  ( 23.905,   8.353, -75.928)  ( 0.02,  0.06,  0.01)
183:     bond    (  7.487,  14.575, -43.264)  (  7.491,  14.577, -43.260)  ( 0.04,  0.01,  0.01)
183:     angle   (  0.026,   0.011,   0.075)  (  0.028,   0.012,   0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  7.696,   4.670, -27.652)  (  7.697,   4.670, -27.651)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.018,  -0.031,   0.017)  (  0.018,  -0.030,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,  -0.012,   0.004)  (  0.005,  -0.011,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.667, -10.865,  -5.113)  (  8.667, -10.865,  -5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       ( 38.542,  47.292, -52.215)  ( 38.549,  47.297, -52.209)  ( 0.02,  0.01,  0.01)
183:     bond    ( 12.130,  26.876, -35.755)  ( 12.133,  26.880, -35.753)  ( 0.03,  0.01,  0.01)
183:     angle   (  0.005,   0.078,   0.012)  (  0.006,   0.079,   0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( 12.412,  17.157, -20.001)  ( 12.413,  17.159, -20.000)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.017,   0.014,  -0.020)  ( -0.017,   0.014,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,   0.002,  -0.006)  ( -0.004,   0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 14.019,   3.164,   3.556)  ( 14.019,   3.165,   3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       ( 37.607,  -0.007,  70.694)  ( 37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
183:     bond    ( 31.159,  -0.003,  34.123)  ( 31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
183:     angle   (  0.050,  -0.002,   0.021)  (  0.051,   0.000,   0.022)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( 15.275,  -0.001,  24.741)  ( 15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.020,  -0.000,  -0.007)  (  0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.010,  -0.000,  -0.005)  (  0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.908,  -0.000,  11.821)  ( -8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( 52.205,  38.542, -47.306)  ( 52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
183:     bond    ( 35.751,  12.130, -26.884)  ( 35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
181:     electro ( -2.324,  -0.193,  -0.270)  ( -2.323,  -0.193,  -0.270)  ( 0.00,  0.00,  0.00)
181: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
181:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
181:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
181:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
181:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
181:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
181:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
181:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
181:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
181:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
181:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
181:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
181:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
181:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
181:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
181:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
181:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
181:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
179: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
179:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
179:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
179:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
179:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
179:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
179:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
179:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
179:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
179:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
179:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
179:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
179:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
195: # math: repeating each test 1000 times
195: # Testing MMFF94 Force Field...
195: # math: entering testArithmeticOperators
195: ok 1
195: ok 2
195: ok 3
195: ok 4
195: ok 5
195: ok 6
195: ok 7
195: ok 8
195: ok 9
195: ok 10
195: ok 11
195: ok 12
195: ok 13
195: ok 14
195: ok 15
195: ok 16
195: ok 17
195: ok 18
195: ok 19
195: ok 20
195: ok 21
195: ok 22
195: ok 23
195: ok 24
195: ok 25
195: ok 26
195: ok 27
195: ok 28
195: ok 29
195: ok 30
195: ok 31
195: ok 32
195: ok 33
195: ok 34
195: ok 35
195: ok 36
195: ok 37
195: ok 38
195: ok 39
195: ok 40
195: ok 41
195: ok 42
195: ok 43
195: ok 44
195: ok 45
195: ok 46
195: ok 47
195: ok 48
195: ok 49
195: ok 50
195: ok 51
195: ok 52
195: ok 53
195: ok 54
195: ok 55
195: ok 56
195: ok 57
195: ok 58
195: ok 59
195: ok 60
195: ok 61
195: ok 62
195: ok 63
195: ok 64
195: ok 65
195: ok 66
195: ok 67
195: ok 68
195: ok 69
195: ok 70
195: ok 71
195: ok 72
195: ok 73
195: ok 74
195: ok 75
195: ok 76
195: ok 77
195: ok 78
195: ok 79
195: ok 80
195: ok 81
195: ok 82
195: ok 83
195: ok 84
195: ok 85
195: ok 86
195: ok 87
195: ok 88
195: ok 89
195: ok 90
195: ok 91
195: ok 92
195: ok 93
195: ok 94
195: ok 95
195: ok 96
195: ok 97
195: ok 98
195: ok 99
195: ok 100
195: ok 101
195: ok 102
195: ok 103
195: ok 104
195: ok 105
195: ok 106
195: ok 107
195: ok 108
195: ok 109
195: ok 110
195: ok 111
195: ok 112
195: ok 113
195: ok 114
195: ok 115
195: ok 116
195: ok 117
195: ok 118
195: ok 119
195: ok 120
195: ok 121
195: ok 122
195: ok 123
195: ok 124
195: ok 125
195: ok 126
195: ok 127
195: ok 128
195: ok 129
195: ok 130
195: ok 131
195: ok 132
195: ok 133
195: ok 134
195: ok 135
195: ok 136
195: ok 137
195: ok 138
195: ok 139
195: ok 140
195: ok 141
195: ok 142
195: ok 143
195: ok 144
195: ok 145
195: ok 146
195: ok 147
195: ok 148
195: ok 149
195: ok 150
195: ok 151
195: ok 152
195: ok 153
195: ok 154
195: ok 155
195: ok 156
195: ok 157
195: ok 158
195: ok 159
195: ok 160
195: ok 161
195: ok 162
195: ok 163
195: ok 164
195: ok 165
195: ok 166
195: ok 167
195: ok 168
195: ok 169
195: ok 170
195: ok 171
195: ok 172
195: ok 173
195: ok 174
195: ok 175
195: ok 176
195: ok 177
195: ok 178
195: ok 179
195: ok 180
195: ok 181
195: ok 182
195: ok 183
195: ok 184
195: ok 185
195: ok 186
195: ok 187
195: ok 188
195: ok 189
195: ok 190
195: ok 191
195: ok 192
195: ok 193
195: ok 194
195: ok 195
195: ok 196
195: ok 197
195: ok 198
195: ok 199
195: ok 200
195: ok 201
195: ok 202
195: ok 203
195: ok 204
195: ok 205
195: ok 206
195: ok 207
195: ok 208
195: ok 209
195: ok 210
195: ok 211
195: ok 212
195: ok 213
195: ok 214
195: ok 215
195: ok 216
195: ok 217
195: ok 218
195: ok 219
195: ok 220
195: ok 221
195: ok 222
195: ok 223
195: ok 224
195: ok 225
195: ok 226
195: ok 227
195: ok 228
195: ok 229
195: ok 230
195: ok 231
195: ok 232
195: ok 233
195: ok 234
195: ok 235
195: ok 236
195: ok 237
195: ok 238
195: ok 239
195: ok 240
195: ok 241
195: ok 242
195: ok 243
195: ok 244
195: ok 245
195: ok 246
195: ok 247
195: ok 248
195: ok 249
195: ok 250
195: ok 251
195: ok 252
195: ok 253
195: ok 254
195: ok 255
195: ok 256
195: ok 257
195: ok 258
195: ok 259
195: ok 260
195: ok 261
195: ok 262
195: ok 263
195: ok 264
195: ok 265
195: ok 266
195: ok 267
195: ok 268
195: ok 269
195: ok 270
195: ok 271
195: ok 272
195: ok 273
195: ok 274
195: ok 275
195: ok 276
195: ok 277
195: ok 278
195: ok 279
195: ok 280
195: ok 281
195: ok 282
195: ok 283
195: ok 284
195: ok 285
195: ok 286
195: ok 287
195: ok 288
195: ok 289
195: ok 290
195: ok 291
195: ok 292
195: ok 293
195: ok 294
195: ok 295
195: ok 296
195: ok 297
195: ok 298
195: ok 299
195: ok 300
195: ok 301
195: ok 302
195: ok 303
195: ok 304
195: ok 305
195: ok 306
195: ok 307
195: ok 308
195: ok 309
195: ok 310
195: ok 311
195: ok 312
195: ok 313
195: ok 314
195: ok 315
195: ok 316
195: ok 317
195: ok 318
195: ok 319
195: ok 320
195: ok 321
195: ok 322
195: ok 323
195: ok 324
195: ok 325
195: ok 326
195: ok 327
195: ok 328
195: ok 329
195: ok 330
195: ok 331
195: ok 332
195: ok 333
195: ok 334
195: ok 335
195: ok 336
195: ok 337
195: ok 338
195: ok 339
195: ok 340
195: ok 341
195: ok 342
195: ok 343
195: ok 344
195: ok 345
195: ok 346
195: ok 347
195: ok 348
195: ok 349
195: ok 350
195: ok 351
195: ok 352
195: ok 353
195: ok 354
195: ok 355
195: ok 356
195: ok 357
195: ok 358
195: ok 359
195: ok 360
195: ok 361
195: ok 362
195: ok 363
195: ok 364
195: ok 365
195: ok 366
195: ok 367
195: ok 368
195: ok 369
195: ok 370
195: ok 371
195: ok 372
195: ok 373
195: ok 374
195: ok 375
195: ok 376
195: ok 377
195: ok 378
195: ok 379
195: ok 380
195: ok 381
195: ok 382
195: ok 383
195: ok 384
195: ok 385
195: ok 386
195: ok 387
195: ok 388
195: ok 389
195: ok 390
195: ok 391
195: ok 392
195: ok 393
195: ok 394
195: ok 395
195: ok 396
195: ok 397
195: ok 398
195: ok 399
195: ok 400
195: ok 401
195: ok 402
195: ok 403
195: ok 404
195: ok 405
195: ok 406
195: ok 407
195: ok 408
195: ok 409
195: ok 410
195: ok 411
195: ok 412
195: ok 413
195: ok 414
195: ok 415
195: ok 416
195: ok 417
195: ok 418
195: ok 419
195: ok 420
195: ok 421
195: ok 422
195: ok 423
195: ok 424
195: ok 425
195: ok 426
195: ok 427
195: ok 428
195: ok 429
195: ok 430
195: ok 431
195: ok 432
195: ok 433
195: ok 434
195: ok 435
195: ok 436
195: ok 437
195: ok 438
195: ok 439
195: ok 440
195: ok 441
195: ok 442
195: ok 443
195: ok 444
195: ok 445
195: ok 446
195: ok 447
195: ok 448
195: ok 449
195: ok 450
195: ok 451
195: ok 452
195: ok 453
195: ok 454
195: ok 455
195: ok 456
195: ok 457
195: ok 458
195: ok 459
195: ok 460
195: ok 461
195: ok 462
195: ok 463
195: ok 464
195: ok 465
195: ok 466
195: ok 467
195: ok 468
195: ok 469
195: ok 470
195: ok 471
195: ok 472
195: ok 473
195: ok 474
195: ok 475
195: ok 476
195: ok 477
195: ok 478
195: ok 479
195: ok 480
195: ok 481
195: ok 482
195: ok 483
195: ok 484
195: ok 485
195: ok 486
195: ok 487
195: ok 488
195: ok 489
195: ok 490
195: ok 491
195: ok 492
195: ok 493
195: ok 494
195: ok 495
195: ok 496
195: ok 497
195: ok 498
195: ok 499
195: ok 500
195: ok 501
195: ok 502
195: ok 503
195: ok 504
195: ok 505
195: ok 506
195: ok 507
195: ok 508
195: ok 509
195: ok 510
195: ok 511
195: ok 512
195: ok 513
195: ok 514
195: ok 515
195: ok 516
195: ok 517
195: ok 518
195: ok 519
195: ok 520
195: ok 521
195: ok 522
195: ok 523
195: ok 524
195: ok 525
195: ok 526
195: ok 527
195: ok 528
195: ok 529
195: ok 530
195: ok 531
195: ok 532
195: ok 533
195: ok 534
195: ok 535
195: ok 536
195: ok 537
195: ok 538
195: ok 539
195: ok 540
195: ok 541
195: ok 542
195: ok 543
195: ok 544
195: ok 545
195: ok 546
195: ok 547
195: ok 548
195: ok 549
195: ok 550
195: ok 551
195: ok 552
195: ok 553
195: ok 554
195: ok 555
195: ok 556
195: ok 557
195: ok 558
195: ok 559
195: ok 560
195: ok 561
195: ok 562
195: ok 563
195: ok 564
195: ok 565
195: ok 566
195: ok 567
195: ok 568
195: ok 569
195: ok 570
195: ok 571
195: ok 572
195: ok 573
195: ok 574
195: ok 575
195: ok 576
195: ok 577
195: ok 578
195: ok 579
195: ok 580
195: ok 581
195: ok 582
195: ok 583
195: ok 584
195: ok 585
195: ok 586
195: ok 587
195: ok 588
195: ok 589
195: ok 590
195: ok 591
195: ok 592
195: ok 593
195: ok 594
195: ok 595
195: ok 596
195: ok 597
195: ok 598
195: ok 599
195: ok 600
195: ok 601
195: ok 602
195: ok 603
195: ok 604
195: ok 605
195: ok 606
195: ok 607
195: ok 608
195: ok 609
195: ok 610
195: ok 611
195: ok 612
195: ok 613
195: ok 614
195: ok 615
195: ok 616
195: ok 617
195: ok 618
195: ok 619
195: ok 620
195: ok 621
195: ok 622
195: ok 623
195: ok 624
195: ok 625
195: ok 626
195: ok 627
195: ok 628
195: ok 629
195: ok 630
195: ok 631
195: ok 632
195: ok 633
195: ok 634
195: ok 635
195: ok 636
195: ok 637
195: ok 638
195: ok 639
195: ok 640
195: ok 641
195: ok 642
195: ok 643
195: ok 644
195: ok 645
195: ok 646
195: ok 647
195: ok 648
195: ok 649
195: ok 650
195: ok 651
195: ok 652
195: ok 653
195: ok 654
195: ok 655
195: ok 656
195: ok 657
195: ok 658
195: ok 659
195: ok 660
195: ok 661
195: ok 662
195: ok 663
195: ok 664
195: ok 665
195: ok 666
195: ok 667
195: ok 668
195: ok 669
195: ok 670
195: ok 671
195: ok 672
195: ok 673
195: ok 674
195: ok 675
195: ok 676
195: ok 677
195: ok 678
195: ok 679
195: ok 680
195: ok 681
195: ok 682
195: ok 683
195: ok 684
195: ok 685
195: ok 686
195: ok 687
195: ok 688
195: ok 689
195: ok 690
195: ok 691
195: ok 692
195: ok 693
195: ok 694
195: ok 695
195: ok 696
195: ok 697
195: ok 698
195: ok 699
195: ok 700
195: ok 701
195: ok 702
195: ok 703
195: ok 704
195: ok 705
195: ok 706
195: ok 707
195: ok 708
195: ok 709
195: ok 710
195: ok 711
195: ok 712
195: ok 713
195: ok 714
195: ok 715
195: ok 716
195: ok 717
195: ok 718
195: ok 719
195: ok 720
195: ok 721
195: ok 722
195: ok 723
195: ok 724
195: ok 725
195: ok 726
195: ok 727
195: ok 728
195: ok 729
195: ok 730
195: ok 731
195: ok 732
195: ok 733
195: ok 734
195: ok 735
195: ok 736
195: ok 737
195: ok 738
195: ok 739
195: ok 740
195: ok 741
195: ok 742
195: ok 743
195: ok 744
195: ok 745
195: ok 746
195: ok 747
195: ok 748
195: ok 749
195: ok 750
195: ok 751
195: ok 752
195: ok 753
195: ok 754
195: ok 755
195: ok 756
195: ok 757
195: ok 758
195: ok 759
195: ok 760
195: ok 761
195: ok 762
195: ok 763
195: ok 764
195: ok 765
195: ok 766
195: ok 767
195: ok 768
195: ok 769
195: ok 770
195: ok 771
195: ok 772
195: ok 773
195: ok 774
195: ok 775
195: ok 776
195: ok 777
195: ok 778
195: ok 779
195: ok 780
195: ok 781
195: ok 782
195: ok 783
195: ok 784
195: ok 785
195: ok 786
195: ok 787
195: ok 788
195: ok 789
195: ok 790
195: ok 791
195: ok 792
195: ok 793
195: ok 794
195: ok 795
195: ok 796
195: ok 797
195: ok 798
195: ok 799
195: ok 800
195: ok 801
195: ok 802
195: ok 803
195: ok 804
195: ok 805
195: ok 806
195: ok 807
195: ok 808
195: ok 809
195: ok 810
195: ok 811
195: ok 812
195: ok 813
195: ok 814
195: ok 815
195: ok 816
195: ok 817
195: ok 818
195: ok 819
195: ok 820
195: ok 821
195: ok 822
195: ok 823
195: ok 824
195: ok 825
195: ok 826
195: ok 827
195: ok 828
195: ok 829
195: ok 830
195: ok 831
195: ok 832
195: ok 833
195: ok 834
195: ok 835
195: ok 836
195: ok 837
195: ok 838
195: ok 839
195: ok 840
195: ok 841
195: ok 842
195: ok 843
195: ok 844
195: ok 845
195: ok 846
195: ok 847
195: ok 848
195: ok 849
195: ok 850
195: ok 851
195: ok 852
195: ok 853
195: ok 854
195: ok 855
195: ok 856
195: ok 857
195: ok 858
195: ok 859
195: ok 860
195: ok 861
195: ok 862
195: ok 863
195: ok 864
195: ok 865
195: ok 866
195: ok 867
195: ok 868
195: ok 869
195: ok 870
195: ok 871
195: ok 872
195: ok 873
195: ok 874
195: ok 875
195: ok 876
195: ok 877
195: ok 878
195: ok 879
195: ok 880
195: ok 881
195: ok 882
195: ok 883
195: ok 884
195: ok 885
195: ok 886
195: ok 887
195: ok 888
195: ok 889
195: ok 890
195: ok 891
195: ok 892
195: ok 893
195: ok 894
195: ok 895
195: ok 896
195: ok 897
195: ok 898
195: ok 899
195: ok 900
195: ok 901
195: ok 902
195: ok 903
195: ok 904
195: ok 905
195: ok 906
195: ok 907
195: ok 908
195: ok 909
195: ok 910
195: ok 911
195: ok 912
195: ok 913
195: ok 914
195: ok 915
195: ok 916
195: ok 917
195: ok 918
195: ok 919
195: ok 920
195: ok 921
195: ok 922
195: ok 923
195: ok 924
195: ok 925
195: ok 926
195: ok 927
195: ok 928
195: ok 929
195: ok 930
195: ok 931
195: ok 932
195: ok 933
195: ok 934
195: ok 935
195: ok 936
195: ok 937
195: ok 938
195: ok 939
195: ok 940
195: ok 941
195: ok 942
195: ok 943
195: ok 944
195: ok 945
195: ok 946
195: ok 947
195: ok 948
195: ok 949
195: ok 950
195: ok 951
195: ok 952
195: ok 953
195: ok 954
195: ok 955
195: ok 956
195: ok 957
195: ok 958
195: ok 959
195: ok 960
195: ok 961
195: ok 962
195: ok 963
195: ok 964
195: ok 965
195: ok 966
195: ok 967
195: ok 968
195: ok 969
195: ok 970
195: ok 971
195: ok 972
195: ok 973
195: ok 974
195: ok 975
195: ok 976
195: ok 977
195: ok 978
195: ok 979
195: ok 980
195: ok 981
195: ok 982
195: ok 983
195: ok 984
195: ok 985
195: ok 986
195: ok 987
195: ok 988
195: ok 989
195: ok 990
195: ok 991
195: ok 992
195: ok 993
195: ok 994
195: ok 995
195: ok 996
195: ok 997
195: ok 998
195: ok 999
195: ok 1000
195: ok 1001
195: ok 1002
195: ok 1003
195: ok 1004
195: ok 1005
195: ok 1006
195: ok 1007
195: ok 1008
195: ok 1009
195: ok 1010
195: ok 1011
195: ok 1012
195: ok 1013
195: ok 1014
195: ok 1015
195: ok 1016
195: ok 1017
195: ok 1018
195: ok 1019
195: ok 1020
195: ok 1021
195: ok 1022
195: ok 1023
195: ok 1024
195: ok 1025
195: ok 1026
195: ok 1027
195: ok 1028
195: ok 1029
195: ok 1030
195: ok 1031
195: ok 1032
195: ok 1033
195: ok 1034
195: ok 1035
195: ok 1036
195: ok 1037
195: ok 1038
195: ok 1039
195: ok 1040
195: ok 1041
195: ok 1042
195: ok 1043
195: ok 1044
195: ok 1045
195: ok 1046
195: ok 1047
195: ok 1048
195: ok 1049
195: ok 1050
195: ok 1051
195: ok 1052
195: ok 1053
195: ok 1054
195: ok 1055
195: ok 1056
195: ok 1057
195: ok 1058
195: ok 1059
195: ok 1060
195: ok 1061
195: ok 1062
195: ok 1063
195: ok 1064
195: ok 1065
195: ok 1066
195: ok 1067
195: ok 1068
195: ok 1069
195: ok 1070
195: ok 1071
195: ok 1072
195: ok 1073
195: ok 1074
195: ok 1075
195: ok 1076
195: ok 1077
195: ok 1078
195: ok 1079
195: ok 1080
195: ok 1081
195: ok 1082
195: ok 1083
195: ok 1084
195: ok 1085
195: ok 1086
195: ok 1087
195: ok 1088
195: ok 1089
195: ok 1090
195: ok 1091
195: ok 1092
195: ok 1093
195: ok 1094
195: ok 1095
195: ok 1096
195: ok 1097
195: ok 1098
195: ok 1099
195: ok 1100
195: ok 1101
195: ok 1102
195: ok 1103
195: ok 1104
195: ok 1105
195: ok 1106
195: ok 1107
195: ok 1108
195: ok 1109
195: ok 1110
195: ok 1111
195: ok 1112
195: ok 1113
195: ok 1114
195: ok 1115
195: ok 1116
195: ok 1117
195: ok 1118
195: ok 1119
195: ok 1120
195: ok 1121
195: ok 1122
195: ok 1123
195: ok 1124
195: ok 1125
195: ok 1126
195: ok 1127
195: ok 1128
195: ok 1129
195: ok 1130
195: ok 1131
195: ok 1132
195: ok 1133
195: ok 1134
195: ok 1135
195: ok 1136
195: ok 1137
195: ok 1138
195: ok 1139
195: ok 1140
195: ok 1141
195: ok 1142
195: ok 1143
195: ok 1144
195: ok 1145
195: ok 1146
195: ok 1147
195: ok 1148
195: ok 1149
195: ok 1150
195: ok 1151
195: ok 1152
195: ok 1153
195: ok 1154
195: ok 1155
195: ok 1156
195: ok 1157
195: ok 1158
195: ok 1159
195: ok 1160
195: ok 1161
195: ok 1162
195: ok 1163
195: ok 1164
195: ok 1165
195: ok 1166
195: ok 1167
195: ok 1168
195: ok 1169
195: ok 1170
195: ok 1171
195: ok 1172
195: ok 1173
195: ok 1174
195: ok 1175
195: ok 1176
195: ok 1177
195: ok 1178
195: ok 1179
195: ok 1180
195: ok 1181
195: ok 1182
195: ok 1183
195: ok 1184
195: ok 1185
195: ok 1186
195: ok 1187
195: ok 1188
195: ok 1189
195: ok 1190
195: ok 1191
195: ok 1192
195: ok 1193
195: ok 1194
195: ok 1195
195: ok 1196
195: ok 1197
195: ok 1198
195: ok 1199
195: ok 1200
195: ok 1201
195: ok 1202
195: ok 1203
195: ok 1204
195: ok 1205
195: ok 1206
195: ok 1207
195: ok 1208
195: ok 1209
195: ok 1210
195: ok 1211
195: ok 1212
195: ok 1213
195: ok 1214
195: ok 1215
195: ok 1216
195: ok 1217
195: ok 1218
195: ok 1219
195: ok 1220
195: ok 1221
195: ok 1222
195: ok 1223
195: ok 1224
195: ok 1225
195: ok 1226
195: ok 1227
195: ok 1228
195: ok 1229
195: ok 1230
195: ok 1231
195: ok 1232
195: ok 1233
195: ok 1234
195: ok 1235
195: ok 1236
195: ok 1237
195: ok 1238
195: ok 1239
195: ok 1240
195: ok 1241
195: ok 1242
195: ok 1243
195: ok 1244
195: ok 1245
195: ok 1246
195: ok 1247
195: ok 1248
195: ok 1249
195: ok 1250
195: ok 1251
195: ok 1252
195: ok 1253
195: ok 1254
195: ok 1255
195: ok 1256
195: ok 1257
195: ok 1258
195: ok 1259
195: ok 1260
195: ok 1261
195: ok 1262
195: ok 1263
195: ok 1264
195: ok 1265
195: ok 1266
195: ok 1267
195: ok 1268
195: ok 1269
195: ok 1270
195: ok 1271
195: ok 1272
195: ok 1273
195: ok 1274
195: ok 1275
195: ok 1276
195: ok 1277
195: ok 1278
195: ok 1279
195: ok 1280
195: ok 1281
195: ok 1282
195: ok 1283
195: ok 1284
195: ok 1285
195: ok 1286
195: ok 1287
195: ok 1288
195: ok 1289
195: ok 1290
195: ok 1291
195: ok 1292
195: ok 1293
195: ok 1294
195: ok 1295
195: ok 1296
195: ok 1297
195: ok 1298
195: ok 1299
195: ok 1300
195: ok 1301
195: ok 1302
195: ok 1303
195: ok 1304
195: ok 1305
195: ok 1306
195: ok 1307
195: ok 1308
195: ok 1309
195: ok 1310
195: ok 1311
195: ok 1312
195: ok 1313
195: ok 1314
195: ok 1315
195: ok 1316
195: ok 1317
195: ok 1318
195: ok 1319
195: ok 1320
195: ok 1321
195: ok 1322
195: ok 1323
195: ok 1324
195: ok 1325
195: ok 1326
195: ok 1327
195: ok 1328
195: ok 1329
195: ok 1330
195: ok 1331
195: ok 1332
195: ok 1333
195: ok 1334
195: ok 1335
195: ok 1336
195: ok 1337
195: ok 1338
195: ok 1339
195: ok 1340
195: ok 1341
195: ok 1342
195: ok 1343
195: ok 1344
195: ok 1345
195: ok 1346
195: ok 1347
195: ok 1348
195: ok 1349
195: ok 1350
195: ok 1351
195: ok 1352
195: ok 1353
195: ok 1354
195: ok 1355
195: ok 1356
195: ok 1357
195: ok 1358
195: ok 1359
195: ok 1360
195: ok 1361
195: ok 1362
195: ok 1363
195: ok 1364
195: ok 1365
195: ok 1366
195: ok 1367
195: ok 1368
195: ok 1369
195: ok 1370
195: ok 1371
195: ok 1372
195: ok 1373
195: ok 1374
195: ok 1375
195: ok 1376
195: ok 1377
195: ok 1378
195: ok 1379
195: ok 1380
195: ok 1381
195: ok 1382
195: ok 1383
195: ok 1384
195: ok 1385
195: ok 1386
195: ok 1387
195: ok 1388
195: ok 1389
195: ok 1390
195: ok 1391
195: ok 1392
195: ok 1393
195: ok 1394
195: ok 1395
195: ok 1396
195: ok 1397
195: ok 1398
195: ok 1399
195: ok 1400
195: ok 1401
195: ok 1402
195: ok 1403
195: ok 1404
195: ok 1405
195: ok 1406
195: ok 1407
195: ok 1408
195: ok 1409
195: ok 1410
195: ok 1411
195: ok 1412
195: ok 1413
195: ok 1414
195: ok 1415
195: ok 1416
195: ok 1417
195: ok 1418
195: ok 1419
195: ok 1420
195: ok 1421
195: ok 1422
195: ok 1423
195: ok 1424
195: ok 1425
195: ok 1426
195: ok 1427
195: ok 1428
195: ok 1429
195: ok 1430
195: ok 1431
195: ok 1432
195: ok 1433
195: ok 1434
195: ok 1435
195: ok 1436
195: ok 1437
195: ok 1438
195: ok 1439
195: ok 1440
195: ok 1441
195: ok 1442
195: ok 1443
195: ok 1444
195: ok 1445
195: ok 1446
195: ok 1447
195: ok 1448
195: ok 1449
195: ok 1450
195: ok 1451
195: ok 1452
195: ok 1453
195: ok 1454
195: ok 1455
195: ok 1456
195: ok 1457
195: ok 1458
195: ok 1459
195: ok 1460
195: ok 1461
195: ok 1462
195: ok 1463
195: ok 1464
195: ok 1465
195: ok 1466
195: ok 1467
195: ok 1468
195: ok 1469
195: ok 1470
195: ok 1471
195: ok 1472
195: ok 1473
195: ok 1474
195: ok 1475
195: ok 1476
195: ok 1477
195: ok 1478
195: ok 1479
195: ok 1480
195: ok 1481
195: ok 1482
195: ok 1483
195: ok 1484
195: ok 1485
195: ok 1486
195: ok 1487
195: ok 1488
195: ok 1489
195: ok 1490
195: ok 1491
195: ok 1492
195: ok 1493
195: ok 1494
195: ok 1495
195: ok 1496
195: ok 1497
195: ok 1498
195: ok 1499
195: ok 1500
195: ok 1501
195: ok 1502
195: ok 1503
195: ok 1504
195: ok 1505
195: ok 1506
195: ok 1507
195: ok 1508
195: ok 1509
195: ok 1510
195: ok 1511
195: ok 1512
195: ok 1513
195: ok 1514
195: ok 1515
195: ok 1516
195: ok 1517
195: ok 1518
195: ok 1519
195: ok 1520
195: ok 1521
195: ok 1522
195: ok 1523
195: ok 1524
195: ok 1525
195: ok 1526
195: ok 1527
195: ok 1528
195: ok 1529
195: ok 1530
195: ok 1531
195: ok 1532
195: ok 1533
195: ok 1534
195: ok 1535
195: ok 1536
195: ok 1537
195: ok 1538
195: ok 1539
195: ok 1540
195: ok 1541
195: ok 1542
195: ok 1543
195: ok 1544
195: ok 1545
195: ok 1546
195: ok 1547
195: ok 1548
195: ok 1549
195: ok 1550
195: ok 1551
195: ok 1552
195: ok 1553
195: ok 1554
195: ok 1555
195: ok 1556
195: ok 1557
195: ok 1558
195: ok 1559
195: ok 1560
195: ok 1561
195: ok 1562
195: ok 1563
195: ok 1564
195: ok 1565
195: ok 1566
195: ok 1567
195: ok 1568
195: ok 1569
195: ok 1570
195: ok 1571
195: ok 1572
195: ok 1573
195: ok 1574
195: ok 1575
195: ok 1576
195: ok 1577
195: ok 1578
195: ok 1579
195: ok 1580
195: ok 1581
195: ok 1582
195: ok 1583
195: ok 1584
195: ok 1585
195: ok 1586
195: ok 1587
195: ok 1588
195: ok 1589
195: ok 1590
195: ok 1591
195: ok 1592
195: ok 1593
195: ok 1594
195: ok 1595
195: ok 1596
195: ok 1597
195: ok 1598
195: ok 1599
195: ok 1600
195: ok 1601
195: ok 1602
195: ok 1603
195: ok 1604
195: ok 1605
195: ok 1606
195: ok 1607
195: ok 1608
195: ok 1609
195: ok 1610
195: ok 1611
195: ok 1612
195: ok 1613
195: ok 1614
195: ok 1615
195: ok 1616
195: ok 1617
195: ok 1618
195: ok 1619
195: ok 1620
195: ok 1621
195: ok 1622
195: ok 1623
195: ok 1624
195: ok 1625
195: ok 1626
195: ok 1627
195: ok 1628
195: ok 1629
195: ok 1630
195: ok 1631
195: ok 1632
195: ok 1633
195: ok 1634
195: ok 1635
195: ok 1636
195: ok 1637
195: ok 1638
195: ok 1639
195: ok 1640
195: ok 1641
195: ok 1642
195: ok 1643
195: ok 1644
195: ok 1645
195: ok 1646
195: ok 1647
195: ok 1648
195: ok 1649
195: ok 1650
195: ok 1651
195: ok 1652
195: ok 1653
195: ok 1654
195: ok 1655
195: ok 1656
195: ok 1657
195: ok 1658
195: ok 1659
195: ok 1660
195: ok 1661
195: ok 1662
195: ok 1663
195: ok 1664
195: ok 1665
195: ok 1666
195: ok 1667
195: ok 1668
195: ok 1669
195: ok 1670
195: ok 1671
195: ok 1672
195: ok 1673
195: ok 1674
195: ok 1675
195: ok 1676
195: ok 1677
195: ok 1678
195: ok 1679
195: ok 1680
195: ok 1681
195: ok 1682
195: ok 1683
195: ok 1684
195: ok 1685
195: ok 1686
195: ok 1687
195: ok 1688
195: ok 1689
195: ok 1690
195: ok 1691
195: ok 1692
195: ok 1693
195: ok 1694
195: ok 1695
195: ok 1696
195: ok 1697
195: ok 1698
195: ok 1699
195: ok 1700
195: ok 1701
195: ok 1702
195: ok 1703
195: ok 1704
195: ok 1705
195: ok 1706
195: ok 1707
195: ok 1708
195: ok 1709
195: ok 1710
195: ok 1711
195: ok 1712
195: ok 1713
195: ok 1714
195: ok 1715
195: ok 1716
195: ok 1717
195: ok 1718
195: ok 1719
195: ok 1720
195: ok 1721
195: ok 1722
195: ok 1723
195: ok 1724
195: ok 1725
195: ok 1726
195: ok 1727
195: ok 1728
195: ok 1729
195: ok 1730
195: ok 1731
195: ok 1732
195: ok 1733
195: ok 1734
195: ok 1735
195: ok 1736
195: ok 1737
195: ok 1738
195: ok 1739
195: ok 1740
195: ok 1741
195: ok 1742
195: ok 1743
195: ok 1744
195: ok 1745
195: ok 1746
195: ok 1747
195: ok 1748
195: ok 1749
195: ok 1750
195: ok 1751
195: ok 1752
195: ok 1753
195: ok 1754
195: ok 1755
195: ok 1756
195: ok 1757
195: ok 1758
195: ok 1759
195: ok 1760
195: ok 1761
195: ok 1762
195: ok 1763
195: ok 1764
195: ok 1765
195: ok 1766
195: ok 1767
195: ok 1768
195: ok 1769
195: ok 1770
195: ok 1771
195: ok 1772
195: ok 1773
195: ok 1774
195: ok 1775
195: ok 1776
195: ok 1777
195: ok 1778
195: ok 1779
195: ok 1780
195: ok 1781
195: ok 1782
195: ok 1783
195: ok 1784
195: ok 1785
195: ok 1786
195: ok 1787
195: ok 1788
195: ok 1789
195: ok 1790
195: ok 1791
195: ok 1792
195: ok 1793
195: ok 1794
195: ok 1795
195: ok 1796
195: ok 1797
195: ok 1798
195: ok 1799
195: ok 1800
195: ok 1801
195: ok 1802
195: ok 1803
195: ok 1804
195: ok 1805
195: ok 1806
195: ok 1807
195: ok 1808
195: ok 1809
195: ok 1810
195: ok 1811
195: ok 1812
195: ok 1813
195: ok 1814
195: ok 1815
195: ok 1816
195: ok 1817
195: ok 1818
195: ok 1819
195: ok 1820
195: ok 1821
195: ok 1822
195: ok 1823
195: ok 1824
195: ok 1825
195: ok 1826
195: ok 1827
195: ok 1828
195: ok 1829
195: ok 1830
195: ok 1831
195: ok 1832
195: ok 1833
195: ok 1834
195: ok 1835
195: ok 1836
195: ok 1837
195: ok 1838
195: ok 1839
195: ok 1840
195: ok 1841
195: ok 1842
195: ok 1843
195: ok 1844
195: ok 1845
195: ok 1846
195: ok 1847
195: ok 1848
195: ok 1849
195: ok 1850
195: ok 1851
195: ok 1852
195: ok 1853
195: ok 1854
195: ok 1855
195: ok 1856
195: ok 1857
195: ok 1858
195: ok 1859
195: ok 1860
195: ok 1861
195: ok 1862
195: ok 1863
195: ok 1864
195: ok 1865
195: ok 1866
195: ok 1867
195: ok 1868
195: ok 1869
195: ok 1870
195: ok 1871
195: ok 1872
195: ok 1873
195: ok 1874
195: ok 1875
195: ok 1876
195: ok 1877
195: ok 1878
195: ok 1879
195: ok 1880
195: ok 1881
195: ok 1882
195: ok 1883
195: ok 1884
195: ok 1885
195: ok 1886
195: ok 1887
195: ok 1888
195: ok 1889
195: ok 1890
195: ok 1891
195: ok 1892
195: ok 1893
195: ok 1894
195: ok 1895
195: ok 1896
195: ok 1897
195: ok 1898
195: ok 1899
195: ok 1900
195: ok 1901
195: ok 1902
195: ok 1903
195: ok 1904
195: ok 1905
195: ok 1906
195: ok 1907
195: ok 1908
195: ok 1909
195: ok 1910
195: ok 1911
195: ok 1912
195: ok 1913
195: ok 1914
195: ok 1915
195: ok 1916
195: ok 1917
195: ok 1918
195: ok 1919
195: ok 1920
195: ok 1921
195: ok 1922
195: ok 1923
195: ok 1924
195: ok 1925
195: ok 1926
195: ok 1927
195: ok 1928
195: ok 1929
195: ok 1930
195: ok 1931
195: ok 1932
195: ok 1933
195: ok 1934
195: ok 1935
195: ok 1936
195: ok 1937
195: ok 1938
195: ok 1939
195: ok 1940
195: ok 1941
195: ok 1942
195: ok 1943
195: ok 1944
195: ok 1945
195: ok 1946
195: ok 1947
195: ok 1948
195: ok 1949
195: ok 1950
195: ok 1951
195: ok 1952
195: ok 1953
195: ok 1954
195: ok 1955
195: ok 1956
195: ok 1957
195: ok 1958
195: ok 1959
195: ok 1960
195: ok 1961
195: ok 1962
195: ok 1963
195: ok 1964
195: ok 1965
195: ok 1966
195: ok 1967
195: ok 1968
195: ok 1969
195: ok 1970
195: ok 1971
195: ok 1972
195: ok 1973
195: ok 1974
195: ok 1975
195: ok 1976
195: ok 1977
195: ok 1978
195: ok 1979
195: ok 1980
195: ok 1981
195: ok 1982
195: ok 1983
195: ok 1984
195: ok 1985
195: ok 1986
195: ok 1987
195: ok 1988
195: ok 1989
195: ok 1990
195: ok 1991
195: ok 1992
195: ok 1993
195: ok 1994
195: ok 1995
195: ok 1996
195: ok 1997
195: ok 1998
195: ok 1999
195: ok 2000
195: ok 2001
195: ok 2002
195: ok 2003
195: ok 2004
195: ok 2005
195: ok 2006
195: ok 2007
195: ok 2008
195: ok 2009
195: ok 2010
195: ok 2011
195: ok 2012
195: ok 2013
195: ok 2014
195: ok 2015
195: ok 2016
195: ok 2017
195: ok 2018
195: ok 2019
195: ok 2020
195: ok 2021
195: ok 2022
195: ok 2023
195: ok 2024
195: ok 2025
195: ok 2026
195: ok 2027
195: ok 2028
195: ok 2029
195: ok 2030
195: ok 2031
195: ok 2032
195: ok 2033
195: ok 2034
195: ok 2035
195: ok 2036
195: ok 2037
195: ok 2038
195: ok 2039
195: ok 2040
195: ok 2041
195: ok 2042
195: ok 2043
195: ok 2044
195: ok 2045
195: ok 2046
195: ok 2047
195: ok 2048
195: ok 2049
195: ok 2050
195: ok 2051
195: ok 2052
195: ok 2053
195: ok 2054
195: ok 2055
195: ok 2056
195: ok 2057
195: ok 2058
195: ok 2059
195: ok 2060
195: ok 2061
195: ok 2062
195: ok 2063
195: ok 2064
195: ok 2065
195: ok 2066
195: ok 2067
195: ok 2068
195: ok 2069
195: ok 2070
195: ok 2071
195: ok 2072
195: ok 2073
195: ok 2074
195: ok 2075
195: ok 2076
195: ok 2077
195: ok 2078
195: ok 2079
195: ok 2080
195: ok 2081
195: ok 2082
195: ok 2083
195: ok 2084
195: ok 2085
195: ok 2086
195: ok 2087
195: ok 2088
195: ok 2089
195: ok 2090
195: ok 2091
195: ok 2092
195: ok 2093
195: ok 2094
195: ok 2095
195: ok 2096
195: ok 2097
195: ok 2098
195: ok 2099
195: ok 2100
195: ok 2101
195: ok 2102
195: ok 2103
195: ok 2104
195: ok 2105
195: ok 2106
195: ok 2107
195: ok 2108
195: ok 2109
195: ok 2110
195: ok 2111
195: ok 2112
195: ok 2113
195: ok 2114
195: ok 2115
195: ok 2116
195: ok 2117
195: ok 2118
195: ok 2119
195: ok 2120
195: ok 2121
195: ok 2122
195: ok 2123
195: ok 2124
195: ok 2125
195: ok 2126
195: ok 2127
195: ok 2128
195: ok 2129
195: ok 2130
195: ok 2131
195: ok 2132
195: ok 2133
195: ok 2134
195: ok 2135
195: ok 2136
195: ok 2137
195: ok 2138
195: ok 2139
195: ok 2140
195: ok 2141
195: ok 2142
195: ok 2143
195: ok 2144
195: ok 2145
195: ok 2146
195: ok 2147
195: ok 2148
195: ok 2149
195: ok 2150
195: ok 2151
195: ok 2152
195: ok 2153
195: ok 2154
195: ok 2155
195: ok 2156
195: ok 2157
195: ok 2158
195: ok 2159
195: ok 2160
195: ok 2161
195: ok 2162
195: ok 2163
195: ok 2164
195: ok 2165
195: ok 2166
195: ok 2167
195: ok 2168
195: ok 2169
195: ok 2170
195: ok 2171
195: ok 2172
195: ok 2173
195: ok 2174
195: ok 2175
195: ok 2176
195: ok 2177
195: ok 2178
195: ok 2179
195: ok 2180
195: ok 2181
195: ok 2182
195: ok 2183
195: ok 2184
195: ok 2185
195: ok 2186
195: ok 2187
195: ok 2188
195: ok 2189
195: ok 2190
195: ok 2191
195: ok 2192
195: ok 2193
195: ok 2194
195: ok 2195
195: ok 2196
195: ok 2197
195: ok 2198
195: ok 2199
195: ok 2200
195: ok 2201
195: ok 2202
195: ok 2203
195: ok 2204
195: ok 2205
195: ok 2206
195: ok 2207
195: ok 2208
195: ok 2209
195: ok 2210
195: ok 2211
195: ok 2212
195: ok 2213
195: ok 2214
195: ok 2215
195: ok 2216
195: ok 2217
195: ok 2218
195: ok 2219
195: ok 2220
195: ok 2221
195: ok 2222
195: ok 2223
195: ok 2224
195: ok 2225
195: ok 2226
195: ok 2227
195: ok 2228
195: ok 2229
195: ok 2230
195: ok 2231
195: ok 2232
195: ok 2233
195: ok 2234
195: ok 2235
195: ok 2236
195: ok 2237
195: ok 2238
195: ok 2239
195: ok 2240
195: ok 2241
195: ok 2242
195: ok 2243
195: ok 2244
195: ok 2245
195: ok 2246
195: ok 2247
195: ok 2248
195: ok 2249
195: ok 2250
195: ok 2251
195: ok 2252
195: ok 2253
195: ok 2254
195: ok 2255
195: ok 2256
195: ok 2257
195: ok 2258
195: ok 2259
195: ok 2260
195: ok 2261
195: ok 2262
195: ok 2263
195: ok 2264
195: ok 2265
195: ok 2266
195: ok 2267
195: ok 2268
195: ok 2269
195: ok 2270
195: ok 2271
195: ok 2272
195: ok 2273
195: ok 2274
195: ok 2275
195: ok 2276
195: ok 2277
195: ok 2278
195: ok 2279
195: ok 2280
195: ok 2281
195: ok 2282
195: ok 2283
195: ok 2284
195: ok 2285
195: ok 2286
195: ok 2287
195: ok 2288
195: ok 2289
195: ok 2290
195: ok 2291
195: ok 2292
195: ok 2293
195: ok 2294
195: ok 2295
195: ok 2296
195: ok 2297
195: ok 2298
195: ok 2299
195: ok 2300
195: ok 2301
195: ok 2302
195: ok 2303
195: ok 2304
195: ok 2305
195: ok 2306
195: ok 2307
195: ok 2308
195: ok 2309
195: ok 2310
195: ok 2311
195: ok 2312
195: ok 2313
195: ok 2314
195: ok 2315
195: ok 2316
195: ok 2317
195: ok 2318
195: ok 2319
195: ok 2320
195: ok 2321
195: ok 2322
195: ok 2323
195: ok 2324
195: ok 2325
195: ok 2326
195: ok 2327
195: ok 2328
195: ok 2329
195: ok 2330
195: ok 2331
195: ok 2332
195: ok 2333
195: ok 2334
195: ok 2335
195: ok 2336
195: ok 2337
195: ok 2338
195: ok 2339
195: ok 2340
195: ok 2341
195: ok 2342
195: ok 2343
195: ok 2344
195: ok 2345
195: ok 2346
195: ok 2347
195: ok 2348
195: ok 2349
195: ok 2350
195: ok 2351
195: ok 2352
195: ok 2353
195: ok 2354
195: ok 2355
195: ok 2356
195: ok 2357
195: ok 2358
195: ok 2359
195: ok 2360
195: ok 2361
195: ok 2362
195: ok 2363
195: ok 2364
195: ok 2365
195: ok 2366
195: ok 2367
195: ok 2368
195: ok 2369
195: ok 2370
195: ok 2371
195: ok 2372
195: ok 2373
195: ok 2374
195: ok 2375
195: ok 2376
195: ok 2377
195: ok 2378
195: ok 2379
195: ok 2380
195: ok 2381
195: ok 2382
195: ok 2383
195: ok 2384
195: ok 2385
195: ok 2386
195: ok 2387
195: ok 2388
195: ok 2389
195: ok 2390
195: ok 2391
195: ok 2392
195: ok 2393
195: ok 2394
195: ok 2395
195: ok 2396
195: ok 2397
195: ok 2398
195: ok 2399
195: ok 2400
195: ok 2401
195: ok 2402
195: ok 2403
195: ok 2404
195: ok 2405
195: ok 2406
195: ok 2407
195: ok 2408
195: ok 2409
195: ok 2410
195: ok 2411
195: ok 2412
195: ok 2413
195: ok 2414
195: ok 2415
195: ok 2416
195: ok 2417
195: ok 2418
195: ok 2419
195: ok 2420
195: ok 2421
195: ok 2422
195: ok 2423
195: ok 2424
195: ok 2425
195: ok 2426
195: ok 2427
195: ok 2428
195: ok 2429
195: ok 2430
195: ok 2431
195: ok 2432
195: ok 2433
195: ok 2434
195: ok 2435
195: ok 2436
195: ok 2437
195: ok 2438
195: ok 2439
195: ok 2440
195: ok 2441
195: ok 2442
195: ok 2443
195: ok 2444
195: ok 2445
195: ok 2446
195: ok 2447
195: ok 2448
195: ok 2449
195: ok 2450
195: ok 2451
195: ok 2452
195: ok 2453
195: ok 2454
195: ok 2455
195: ok 2456
195: ok 2457
195: ok 2458
195: ok 2459
195: ok 2460
195: ok 2461
195: ok 2462
195: ok 2463
195: ok 2464
195: ok 2465
195: ok 2466
195: ok 2467
195: ok 2468
195: ok 2469
195: ok 2470
195: ok 2471
195: ok 2472
195: ok 2473
195: ok 2474
195: ok 2475
195: ok 2476
195: ok 2477
195: ok 2478
195: ok 2479
195: ok 2480
195: ok 2481
195: ok 2482
195: ok 2483
195: ok 2484
195: ok 2485
195: ok 2486
195: ok 2487
195: ok 2488
195: ok 2489
195: ok 2490
195: ok 2491
195: ok 2492
195: ok 2493
195: ok 2494
195: ok 2495
195: ok 2496
195: ok 2497
195: ok 2498
195: ok 2499
195: ok 2500
195: ok 2501
195: ok 2502
195: ok 2503
195: ok 2504
195: ok 2505
195: ok 2506
195: ok 2507
195: ok 2508
195: ok 2509
195: ok 2510
195: ok 2511
195: ok 2512
195: ok 2513
195: ok 2514
195: ok 2515
195: ok 2516
195: ok 2517
195: ok 2518
195: ok 2519
195: ok 2520
195: ok 2521
195: ok 2522
195: ok 2523
195: ok 2524
195: ok 2525
195: ok 2526
195: ok 2527
195: ok 2528
195: ok 2529
195: ok 2530
195: ok 2531
195: ok 2532
195: ok 2533
195: ok 2534
195: ok 2535
195: ok 2536
195: ok 2537
195: ok 2538
195: ok 2539
195: ok 2540
195: ok 2541
195: ok 2542
195: ok 2543
195: ok 2544
195: ok 2545
195: ok 2546
195: ok 2547
195: ok 2548
195: ok 2549
195: ok 2550
195: ok 2551
195: ok 2552
195: ok 2553
195: ok 2554
195: ok 2555
195: ok 2556
195: ok 2557
195: ok 2558
195: ok 2559
195: ok 2560
195: ok 2561
195: ok 2562
195: ok 2563
195: ok 2564
195: ok 2565
195: ok 2566
195: ok 2567
195: ok 2568
195: ok 2569
195: ok 2570
195: ok 2571
195: ok 2572
195: ok 2573
195: ok 2574
195: ok 2575
195: ok 2576
195: ok 2577
195: ok 2578
195: ok 2579
195: ok 2580
195: ok 2581
195: ok 2582
195: ok 2583
195: ok 2584
195: ok 2585
195: ok 2586
195: ok 2587
195: ok 2588
195: ok 2589
195: ok 2590
195: ok 2591
195: ok 2592
195: ok 2593
195: ok 2594
195: ok 2595
195: ok 2596
195: ok 2597
195: ok 2598
195: ok 2599
195: ok 2600
195: ok 2601
195: ok 2602
195: ok 2603
195: ok 2604
195: ok 2605
195: ok 2606
195: ok 2607
195: ok 2608
195: ok 2609
195: ok 2610
195: ok 2611
195: ok 2612
195: ok 2613
195: ok 2614
195: ok 2615
195: ok 2616
195: ok 2617
195: ok 2618
195: ok 2619
195: ok 2620
195: ok 2621
195: ok 2622
195: ok 2623
195: ok 2624
195: ok 2625
195: ok 2626
195: ok 2627
195: ok 2628
195: ok 2629
195: ok 2630
195: ok 2631
195: ok 2632
195: ok 2633
195: ok 2634
195: ok 2635
195: ok 2636
195: ok 2637
195: ok 2638
195: ok 2639
195: ok 2640
195: ok 2641
195: ok 2642
195: ok 2643
195: ok 2644
195: ok 2645
195: ok 2646
195: ok 2647
195: ok 2648
195: ok 2649
195: ok 2650
195: ok 2651
195: ok 2652
195: ok 2653
195: ok 2654
195: ok 2655
195: ok 2656
195: ok 2657
195: ok 2658
195: ok 2659
195: ok 2660
195: ok 2661
195: ok 2662
195: ok 2663
195: ok 2664
195: ok 2665
195: ok 2666
195: ok 2667
195: ok 2668
195: ok 2669
195: ok 2670
195: ok 2671
195: ok 2672
195: ok 2673
195: ok 2674
195: ok 2675
195: ok 2676
195: ok 2677
195: ok 2678
195: ok 2679
195: ok 2680
195: ok 2681
195: ok 2682
195: ok 2683
195: ok 2684
195: ok 2685
195: ok 2686
195: ok 2687
195: ok 2688
195: ok 2689
195: ok 2690
195: ok 2691
195: ok 2692
195: ok 2693
195: ok 2694
195: ok 2695
195: ok 2696
195: ok 2697
195: ok 2698
195: ok 2699
195: ok 2700
195: ok 2701
195: ok 2702
195: ok 2703
195: ok 2704
195: ok 2705
195: ok 2706
195: ok 2707
195: ok 2708
195: ok 2709
195: ok 2710
195: ok 2711
195: ok 2712
195: ok 2713
195: ok 2714
195: ok 2715
195: ok 2716
195: ok 2717
195: ok 2718
195: ok 2719
195: ok 2720
195: ok 2721
195: ok 2722
195: ok 2723
195: ok 2724
195: ok 2725
195: ok 2726
195: ok 2727
195: ok 2728
195: ok 2729
195: ok 2730
195: ok 2731
195: ok 2732
195: ok 2733
195: ok 2734
195: ok 2735
195: ok 2736
195: ok 2737
195: ok 2738
195: ok 2739
195: ok 2740
195: ok 2741
195: ok 2742
195: ok 2743
195: ok 2744
195: ok 2745
195: ok 2746
195: ok 2747
195: ok 2748
195: ok 2749
195: ok 2750
195: ok 2751
195: ok 2752
195: ok 2753
195: ok 2754
195: ok 2755
195: ok 2756
195: ok 2757
195: ok 2758
195: ok 2759
195: ok 2760
195: ok 2761
195: ok 2762
195: ok 2763
195: ok 2764
195: ok 2765
195: ok 2766
195: ok 2767
195: ok 2768
195: ok 2769
195: ok 2770
195: ok 2771
195: ok 2772
195: ok 2773
195: ok 2774
195: ok 2775
195: ok 2776
195: ok 2777
195: ok 2778
195: ok 2779
195: ok 2780
195: ok 2781
195: ok 2782
195: ok 2783
195: ok 2784
195: ok 2785
195: ok 2786
195: ok 2787
195: ok 2788
195: ok 2789
195: ok 2790
195: ok 2791
195: ok 2792
195: ok 2793
195: ok 2794
195: ok 2795
195: ok 2796
195: ok 2797
195: ok 2798
195: ok 2799
195: ok 2800
195: ok 2801
195: ok 2802
195: ok 2803
195: ok 2804
195: ok 2805
195: ok 2806
195: ok 2807
195: ok 2808
195: ok 2809
195: ok 2810
195: ok 2811
195: ok 2812
195: ok 2813
195: ok 2814
195: ok 2815
195: ok 2816
195: ok 2817
195: ok 2818
195: ok 2819
195: ok 2820
195: ok 2821
195: ok 2822
195: ok 2823
195: ok 2824
195: ok 2825
195: ok 2826
195: ok 2827
195: ok 2828
195: ok 2829
195: ok 2830
195: ok 2831
195: ok 2832
195: ok 2833
195: ok 2834
195: ok 2835
195: ok 2836
195: ok 2837
195: ok 2838
195: ok 2839
195: ok 2840
195: ok 2841
195: ok 2842
195: ok 2843
195: ok 2844
195: ok 2845
195: ok 2846
195: ok 2847
195: ok 2848
195: ok 2849
195: ok 2850
195: ok 2851
195: ok 2852
195: ok 2853
195: ok 2854
195: ok 2855
195: ok 2856
195: ok 2857
195: ok 2858
195: ok 2859
195: ok 2860
195: ok 2861
195: ok 2862
195: ok 2863
195: ok 2864
195: ok 2865
195: ok 2866
195: ok 2867
195: ok 2868
195: ok 2869
195: ok 2870
195: ok 2871
195: ok 2872
195: ok 2873
195: ok 2874
195: ok 2875
195: ok 2876
195: ok 2877
195: ok 2878
195: ok 2879
195: ok 2880
195: ok 2881
195: ok 2882
195: ok 2883
195: ok 2884
195: ok 2885
195: ok 2886
195: ok 2887
195: ok 2888
195: ok 2889
195: ok 2890
195: ok 2891
195: ok 2892
195: ok 2893
195: ok 2894
195: ok 2895
195: ok 2896
195: ok 2897
195: ok 2898
195: ok 2899
195: ok 2900
195: ok 2901
195: ok 2902
195: ok 2903
195: ok 2904
195: ok 2905
195: ok 2906
195: ok 2907
195: ok 2908
195: ok 2909
195: ok 2910
195: ok 2911
195: ok 2912
195: ok 2913
195: ok 2914
195: ok 2915
195: ok 2916
195: ok 2917
195: ok 2918
195: ok 2919
195: ok 2920
195: ok 2921
195: ok 2922
195: ok 2923
195: ok 2924
195: ok 2925
195: ok 2926
195: ok 2927
195: ok 2928
195: ok 2929
195: ok 2930
195: ok 2931
195: ok 2932
195: ok 2933
195: ok 2934
195: ok 2935
195: ok 2936
195: ok 2937
195: ok 2938
195: ok 2939
195: ok 2940
195: ok 2941
195: ok 2942
195: ok 2943
195: ok 2944
195: ok 2945
195: ok 2946
195: ok 2947
195: ok 2948
195: ok 2949
195: ok 2950
195: ok 2951
195: ok 2952
195: ok 2953
195: ok 2954
195: ok 2955
195: ok 2956
195: ok 2957
195: ok 2958
195: ok 2959
195: ok 2960
195: ok 2961
195: ok 2962
195: ok 2963
195: ok 2964
195: ok 2965
195: ok 2966
195: ok 2967
195: ok 2968
195: ok 2969
195: ok 2970
195: ok 2971
195: ok 2972
195: ok 2973
195: ok 2974
195: ok 2975
195: ok 2976
195: ok 2977
195: ok 2978
195: ok 2979
195: ok 2980
195: ok 2981
195: ok 2982
195: ok 2983
195: ok 2984
195: ok 2985
195: ok 2986
195: ok 2987
195: ok 2988
195: ok 2989
195: ok 2990
195: ok 2991
195: ok 2992
195: ok 2993
195: ok 2994
195: ok 2995
195: ok 2996
195: ok 2997
195: ok 2998
195: ok 2999
195: ok 3000
195: ok 3001
195: ok 3002
195: ok 3003
195: ok 3004
195: ok 3005
195: ok 3006
195: ok 3007
195: ok 3008
195: ok 3009
195: ok 3010
195: ok 3011
195: ok 3012
195: ok 3013
195: ok 3014
195: ok 3015
195: ok 3016
195: ok 3017
195: ok 3018
195: ok 3019
195: ok 3020
195: ok 3021
195: ok 3022
195: ok 3023
195: ok 3024
195: ok 3025
195: ok 3026
195: ok 3027
195: ok 3028
195: ok 3029
195: ok 3030
195: ok 3031
195: ok 3032
195: ok 3033
195: ok 3034
195: ok 3035
195: ok 3036
195: ok 3037
195: ok 3038
195: ok 3039
195: ok 3040
195: ok 3041
195: ok 3042
195: ok 3043
195: ok 3044
195: ok 3045
195: ok 3046
195: ok 3047
195: ok 3048
195: ok 3049
195: ok 3050
195: ok 3051
195: ok 3052
195: ok 3053
195: ok 3054
195: ok 3055
195: ok 3056
195: ok 3057
195: ok 3058
195: ok 3059
195: ok 3060
195: ok 3061
195: ok 3062
195: ok 3063
195: ok 3064
195: ok 3065
195: ok 3066
195: ok 3067
195: ok 3068
195: ok 3069
195: ok 3070
195: ok 3071
195: ok 3072
195: ok 3073
195: ok 3074
195: ok 3075
195: ok 3076
195: ok 3077
195: ok 3078
195: ok 3079
195: ok 3080
195: ok 3081
195: ok 3082
195: ok 3083
195: ok 3084
195: ok 3085
195: ok 3086
195: ok 3087
195: ok 3088
195: ok 3089
195: ok 3090
195: ok 3091
195: ok 3092
195: ok 3093
195: ok 3094
195: ok 3095
195: ok 3096
195: ok 3097
195: ok 3098
195: ok 3099
195: ok 3100
195: ok 3101
195: ok 3102
195: ok 3103
195: ok 3104
195: ok 3105
195: ok 3106
195: ok 3107
195: ok 3108
195: ok 3109
195: ok 3110
195: ok 3111
195: ok 3112
195: ok 3113
195: ok 3114
195: ok 3115
195: ok 3116
195: ok 3117
195: ok 3118
195: ok 3119
195: ok 3120
195: ok 3121
195: ok 3122
195: ok 3123
195: ok 3124
195: ok 3125
195: ok 3126
195: ok 3127
195: ok 3128
195: ok 3129
195: ok 3130
195: ok 3131
195: ok 3132
195: ok 3133
195: ok 3134
195: ok 3135
195: ok 3136
195: ok 3137
195: ok 3138
195: ok 3139
195: ok 3140
195: ok 3141
195: ok 3142
195: ok 3143
195: ok 3144
195: ok 3145
195: ok 3146
195: ok 3147
195: ok 3148
195: ok 3149
195: ok 3150
195: ok 3151
195: ok 3152
195: ok 3153
195: ok 3154
195: ok 3155
195: ok 3156
195: ok 3157
195: ok 3158
195: ok 3159
195: ok 3160
195: ok 3161
195: ok 3162
195: ok 3163
195: ok 3164
195: ok 3165
195: ok 3166
195: ok 3167
195: ok 3168
195: ok 3169
195: ok 3170
195: ok 3171
195: ok 3172
195: ok 3173
195: ok 3174
195: ok 3175
195: ok 3176
195: ok 3177
195: ok 3178
195: ok 3179
195: ok 3180
195: ok 3181
195: ok 3182
195: ok 3183
195: ok 3184
195: ok 3185
195: ok 3186
195: ok 3187
195: ok 3188
195: ok 3189
195: ok 3190
195: ok 3191
195: ok 3192
195: ok 3193
195: ok 3194
195: ok 3195
195: ok 3196
195: ok 3197
195: ok 3198
195: ok 3199
195: ok 3200
195: ok 3201
195: ok 3202
195: ok 3203
195: ok 3204
195: ok 3205
195: ok 3206
195: ok 3207
195: ok 3208
195: ok 3209
195: ok 3210
195: ok 3211
195: ok 3212
195: ok 3213
195: ok 3214
195: ok 3215
195: ok 3216
195: ok 3217
195: ok 3218
195: ok 3219
195: ok 3220
195: ok 3221
195: ok 3222
195: ok 3223
195: ok 3224
195: ok 3225
195: ok 3226
195: ok 3227
195: ok 3228
195: ok 3229
195: ok 3230
195: ok 3231
195: ok 3232
195: ok 3233
195: ok 3234
195: ok 3235
195: ok 3236
195: ok 3237
195: ok 3238
195: ok 3239
195: ok 3240
195: ok 3241
195: ok 3242
195: ok 3243
195: ok 3244
195: ok 3245
195: ok 3246
195: ok 3247
195: ok 3248
195: ok 3249
195: ok 3250
195: ok 3251
195: ok 3252
195: ok 3253
195: ok 3254
195: ok 3255
195: ok 3256
195: ok 3257
195: ok 3258
195: ok 3259
195: ok 3260
195: ok 3261
195: ok 3262
195: ok 3263
195: ok 3264
195: ok 3265
195: ok 3266
195: ok 3267
195: ok 3268
195: ok 3269
195: ok 3270
195: ok 3271
195: ok 3272
195: ok 3273
195: ok 3274
195: ok 3275
195: ok 3276
195: ok 3277
195: ok 3278
195: ok 3279
195: ok 3280
195: ok 3281
195: ok 3282
195: ok 3283
195: ok 3284
195: ok 3285
195: ok 3286
195: ok 3287
195: ok 3288
195: ok 3289
195: ok 3290
195: ok 3291
195: ok 3292
195: ok 3293
195: ok 3294
195: ok 3295
195: ok 3296
195: ok 3297
195: ok 3298
195: ok 3299
195: ok 3300
195: ok 3301
195: ok 3302
195: ok 3303
195: ok 3304
195: ok 3305
195: ok 3306
195: ok 3307
195: ok 3308
195: ok 3309
195: ok 3310
195: ok 3311
195: ok 3312
195: ok 3313
195: ok 3314
195: ok 3315
195: ok 3316
195: ok 3317
195: ok 3318
195: ok 3319
195: ok 3320
195: ok 3321
195: ok 3322
195: ok 3323
195: ok 3324
195: ok 3325
195: ok 3326
195: ok 3327
195: ok 3328
195: ok 3329
195: ok 3330
195: ok 3331
195: ok 3332
195: ok 3333
195: ok 3334
195: ok 3335
195: ok 3336
195: ok 3337
195: ok 3338
195: ok 3339
195: ok 3340
195: ok 3341
195: ok 3342
195: ok 3343
195: ok 3344
195: ok 3345
195: ok 3346
195: ok 3347
195: ok 3348
195: ok 3349
195: ok 3350
195: ok 3351
195: ok 3352
195: ok 3353
195: ok 3354
195: ok 3355
195: ok 3356
195: ok 3357
195: ok 3358
195: ok 3359
195: ok 3360
195: ok 3361
195: ok 3362
195: ok 3363
195: ok 3364
195: ok 3365
195: ok 3366
195: ok 3367
195: ok 3368
195: ok 3369
195: ok 3370
195: ok 3371
195: ok 3372
195: ok 3373
195: ok 3374
195: ok 3375
195: ok 3376
195: ok 3377
195: ok 3378
195: ok 3379
195: ok 3380
195: ok 3381
195: ok 3382
195: ok 3383
195: ok 3384
195: ok 3385
195: ok 3386
195: ok 3387
195: ok 3388
195: ok 3389
195: ok 3390
195: ok 3391
195: ok 3392
195: ok 3393
195: ok 3394
195: ok 3395
195: ok 3396
195: ok 3397
195: ok 3398
195: ok 3399
195: ok 3400
195: ok 3401
195: ok 3402
195: ok 3403
195: ok 3404
195: ok 3405
195: ok 3406
195: ok 3407
195: ok 3408
195: ok 3409
195: ok 3410
195: ok 3411
195: ok 3412
195: ok 3413
195: ok 3414
195: ok 3415
195: ok 3416
195: ok 3417
195: ok 3418
195: ok 3419
195: ok 3420
195: ok 3421
195: ok 3422
195: ok 3423
195: ok 3424
195: ok 3425
195: ok 3426
195: ok 3427
195: ok 3428
195: ok 3429
195: ok 3430
195: ok 3431
195: ok 3432
195: ok 3433
195: ok 3434
195: ok 3435
195: ok 3436
195: ok 3437
195: ok 3438
195: ok 3439
195: ok 3440
195: ok 3441
195: ok 3442
195: ok 3443
195: ok 3444
195: ok 3445
195: ok 3446
195: ok 3447
195: ok 3448
195: ok 3449
195: ok 3450
195: ok 3451
195: ok 3452
195: ok 3453
195: ok 3454
195: ok 3455
195: ok 3456
195: ok 3457
195: ok 3458
195: ok 3459
195: ok 3460
195: ok 3461
195: ok 3462
195: ok 3463
195: ok 3464
195: ok 3465
195: ok 3466
195: ok 3467
195: ok 3468
195: ok 3469
195: ok 3470
195: ok 3471
195: ok 3472
195: ok 3473
195: ok 3474
195: ok 3475
195: ok 3476
195: ok 3477
195: ok 3478
195: ok 3479
195: ok 3480
195: ok 3481
195: ok 3482
195: ok 3483
195: ok 3484
195: ok 3485
195: ok 3486
195: ok 3487
195: ok 3488
195: ok 3489
195: ok 3490
195: ok 3491
195: ok 3492
195: ok 3493
195: ok 3494
195: ok 3495
195: ok 3496
195: ok 3497
195: ok 3498
195: ok 3499
195: ok 3500
195: ok 3501
195: ok 3502
195: ok 3503
195: ok 3504
195: ok 3505
195: ok 3506
195: ok 3507
195: ok 3508
195: ok 3509
195: ok 3510
195: ok 3511
195: ok 3512
195: ok 3513
195: ok 3514
195: ok 3515
195: ok 3516
195: ok 3517
195: ok 3518
195: ok 3519
195: ok 3520
195: ok 3521
195: ok 3522
195: ok 3523
195: ok 3524
195: ok 3525
195: ok 3526
195: ok 3527
195: ok 3528
195: ok 3529
195: ok 3530
195: ok 3531
195: ok 3532
195: ok 3533
195: ok 3534
195: ok 3535
195: ok 3536
195: ok 3537
195: ok 3538
195: ok 3539
195: ok 3540
195: ok 3541
195: ok 3542
195: ok 3543
195: ok 3544
195: ok 3545
195: ok 3546
195: ok 3547
195: ok 3548
195: ok 3549
195: ok 3550
195: ok 3551
195: ok 3552
195: ok 3553
195: ok 3554
195: ok 3555
195: ok 3556
195: ok 3557
195: ok 3558
195: ok 3559
195: ok 3560
195: ok 3561
195: ok 3562
195: ok 3563
195: ok 3564
195: ok 3565
195: ok 3566
195: ok 3567
195: ok 3568
195: ok 3569
195: ok 3570
195: ok 3571
195: ok 3572
195: ok 3573
195: ok 3574
195: ok 3575
195: ok 3576
195: ok 3577
195: ok 3578
195: ok 3579
195: ok 3580
195: ok 3581
195: ok 3582
195: ok 3583
195: ok 3584
195: ok 3585
195: ok 3586
195: ok 3587
195: ok 3588
195: ok 3589
195: ok 3590
195: ok 3591
195: ok 3592
195: ok 3593
195: ok 3594
195: ok 3595
195: ok 3596
195: ok 3597
195: ok 3598
195: ok 3599
195: ok 3600
195: ok 3601
195: ok 3602
195: ok 3603
195: ok 3604
195: ok 3605
195: ok 3606
195: ok 3607
195: ok 3608
195: ok 3609
195: ok 3610
195: ok 3611
195: ok 3612
195: ok 3613
195: ok 3614
195: ok 3615
195: ok 3616
195: ok 3617
195: ok 3618
195: ok 3619
195: ok 3620
195: ok 3621
195: ok 3622
195: ok 3623
195: ok 3624
195: ok 3625
195: ok 3626
195: ok 3627
195: ok 3628
195: ok 3629
195: ok 3630
195: ok 3631
195: ok 3632
195: ok 3633
195: ok 3634
195: ok 3635
195: ok 3636
195: ok 3637
195: ok 3638
195: ok 3639
195: ok 3640
195: ok 3641
195: ok 3642
195: ok 3643
195: ok 3644
195: ok 3645
195: ok 3646
195: ok 3647
195: ok 3648
195: ok 3649
195: ok 3650
195: ok 3651
195: ok 3652
195: ok 3653
195: ok 3654
195: ok 3655
195: ok 3656
195: ok 3657
195: ok 3658
195: ok 3659
195: ok 3660
195: ok 3661
195: ok 3662
195: ok 3663
195: ok 3664
195: ok 3665
195: ok 3666
195: ok 3667
195: ok 3668
195: ok 3669
195: ok 3670
195: ok 3671
195: ok 3672
195: ok 3673
195: ok 3674
195: ok 3675
195: ok 3676
195: ok 3677
195: ok 3678
195: ok 3679
195: ok 3680
195: ok 3681
195: ok 3682
195: ok 3683
195: ok 3684
195: ok 3685
195: ok 3686
195: ok 3687
195: ok 3688
195: ok 3689
195: ok 3690
195: ok 3691
195: ok 3692
195: ok 3693
195: ok 3694
195: ok 3695
195: ok 3696
195: ok 3697
195: ok 3698
195: ok 3699
195: ok 3700
195: ok 3701
195: ok 3702
195: ok 3703
195: ok 3704
195: ok 3705
195: ok 3706
195: ok 3707
195: ok 3708
195: ok 3709
195: ok 3710
195: ok 3711
195: ok 3712
195: ok 3713
195: ok 3714
195: ok 3715
195: ok 3716
195: ok 3717
195: ok 3718
195: ok 3719
195: ok 3720
195: ok 3721
195: ok 3722
195: ok 3723
195: ok 3724
195: ok 3725
195: ok 3726
195: ok 3727
195: ok 3728
195: ok 3729
195: ok 3730
195: ok 3731
195: ok 3732
195: ok 3733
195: ok 3734
195: ok 3735
195: ok 3736
195: ok 3737
195: ok 3738
195: ok 3739
195: ok 3740
195: ok 3741
195: ok 3742
195: ok 3743
195: ok 3744
195: ok 3745
195: ok 3746
195: ok 3747
195: ok 3748
195: ok 3749
195: ok 3750
195: ok 3751
195: ok 3752
195: ok 3753
195: ok 3754
195: ok 3755
195: ok 3756
195: ok 3757
195: ok 3758
195: ok 3759
195: ok 3760
195: ok 3761
195: ok 3762
195: ok 3763
195: ok 3764
195: ok 3765
195: ok 3766
195: ok 3767
195: ok 3768
195: ok 3769
195: ok 3770
195: ok 3771
195: ok 3772
195: ok 3773
195: ok 3774
195: ok 3775
195: ok 3776
195: ok 3777
195: ok 3778
195: ok 3779
195: ok 3780
195: ok 3781
195: ok 3782
195: ok 3783
195: ok 3784
195: ok 3785
195: ok 3786
195: ok 3787
195: ok 3788
195: ok 3789
195: ok 3790
195: ok 3791
195: ok 3792
195: ok 3793
195: ok 3794
195: ok 3795
195: ok 3796
195: ok 3797
195: ok 3798
195: ok 3799
195: ok 3800
195: ok 3801
195: ok 3802
195: ok 3803
195: ok 3804
195: ok 3805
195: ok 3806
195: ok 3807
195: ok 3808
195: ok 3809
195: ok 3810
195: ok 3811
195: ok 3812
195: ok 3813
195: ok 3814
195: ok 3815
195: ok 3816
195: ok 3817
195: ok 3818
195: ok 3819
195: ok 3820
195: ok 3821
195: ok 3822
195: ok 3823
195: ok 3824
195: ok 3825
195: ok 3826
195: ok 3827
195: ok 3828
195: ok 3829
195: ok 3830
195: ok 3831
195: ok 3832
195: ok 3833
195: ok 3834
195: ok 3835
195: ok 3836
195: ok 3837
195: ok 3838
195: ok 3839
195: ok 3840
195: ok 3841
195: ok 3842
195: ok 3843
195: ok 3844
195: ok 3845
195: ok 3846
195: ok 3847
195: ok 3848
195: ok 3849
195: ok 3850
195: ok 3851
195: ok 3852
195: ok 3853
195: ok 3854
195: ok 3855
195: ok 3856
195: ok 3857
195: ok 3858
195: ok 3859
195: ok 3860
195: ok 3861
195: ok 3862
195: ok 3863
195: ok 3864
195: ok 3865
195: ok 3866
195: ok 3867
195: ok 3868
195: ok 3869
195: ok 3870
195: ok 3871
195: ok 3872
195: ok 3873
195: ok 3874
195: ok 3875
195: ok 3876
195: ok 3877
195: ok 3878
195: ok 3879
195: ok 3880
195: ok 3881
195: ok 3882
195: ok 3883
195: ok 3884
195: ok 3885
195: ok 3886
195: ok 3887
195: ok 3888
195: ok 3889
195: ok 3890
195: ok 3891
195: ok 3892
195: ok 3893
195: ok 3894
195: ok 3895
195: ok 3896
195: ok 3897
195: ok 3898
195: ok 3899
195: ok 3900
195: ok 3901
195: ok 3902
195: ok 3903
195: ok 3904
195: ok 3905
195: ok 3906
195: ok 3907
195: ok 3908
195: ok 3909
195: ok 3910
195: ok 3911
195: ok 3912
195: ok 3913
195: ok 3914
195: ok 3915
195: ok 3916
195: ok 3917
195: ok 3918
195: ok 3919
195: ok 3920
195: ok 3921
195: ok 3922
195: ok 3923
195: ok 3924
195: ok 3925
195: ok 3926
195: ok 3927
195: ok 3928
195: ok 3929
195: ok 3930
195: ok 3931
195: ok 3932
195: ok 3933
195: ok 3934
195: ok 3935
195: ok 3936
195: ok 3937
195: ok 3938
195: ok 3939
195: ok 3940
195: ok 3941
195: ok 3942
195: ok 3943
195: ok 3944
195: ok 3945
195: ok 3946
195: ok 3947
195: ok 3948
195: ok 3949
195: ok 3950
195: ok 3951
195: ok 3952
195: ok 3953
195: ok 3954
195: ok 3955
195: ok 3956
195: ok 3957
195: ok 3958
195: ok 3959
195: ok 3960
195: ok 3961
195: ok 3962
195: ok 3963
195: ok 3964
195: ok 3965
195: ok 3966
195: ok 3967
195: ok 3968
195: ok 3969
195: ok 3970
195: ok 3971
195: ok 3972
195: ok 3973
195: ok 3974
195: ok 3975
195: ok 3976
195: ok 3977
195: ok 3978
195: ok 3979
195: ok 3980
195: ok 3981
195: ok 3982
195: ok 3983
195: ok 3984
195: ok 3985
195: ok 3986
195: ok 3987
195: ok 3988
195: ok 3989
195: ok 3990
195: ok 3991
195: ok 3992
195: ok 3993
195: ok 3994
195: ok 3995
195: ok 3996
195: ok 3997
195: ok 3998
195: ok 3999
195: ok 4000
195: ok 4001
195: ok 4002
195: ok 4003
195: ok 4004
195: ok 4005
195: ok 4006
195: ok 4007
195: ok 4008
195: ok 4009
195: ok 4010
195: ok 4011
195: ok 4012
195: ok 4013
195: ok 4014
195: ok 4015
195: ok 4016
195: ok 4017
195: ok 4018
195: ok 4019
195: ok 4020
195: ok 4021
195: ok 4022
195: ok 4023
195: ok 4024
195: ok 4025
195: ok 4026
195: ok 4027
195: ok 4028
195: ok 4029
195: ok 4030
195: ok 4031
195: ok 4032
195: ok 4033
195: ok 4034
195: ok 4035
195: ok 4036
195: ok 4037
195: ok 4038
195: ok 4039
195: ok 4040
195: ok 4041
195: ok 4042
195: ok 4043
195: ok 4044
195: ok 4045
195: ok 4046
195: ok 4047
195: ok 4048
195: ok 4049
195: ok 4050
195: ok 4051
195: ok 4052
195: ok 4053
195: ok 4054
195: ok 4055
195: ok 4056
195: ok 4057
195: ok 4058
195: ok 4059
195: ok 4060
195: ok 4061
195: ok 4062
195: ok 4063
195: ok 4064
195: ok 4065
195: ok 4066
195: ok 4067
195: ok 4068
195: ok 4069
195: ok 4070
195: ok 4071
195: ok 4072
195: ok 4073
195: ok 4074
195: ok 4075
195: ok 4076
195: ok 4077
195: ok 4078
195: ok 4079
195: ok 4080
195: ok 4081
195: ok 4082
195: ok 4083
195: ok 4084
195: ok 4085
195: ok 4086
195: ok 4087
195: ok 4088
195: ok 4089
195: ok 4090
195: ok 4091
195: ok 4092
195: ok 4093
195: ok 4094
195: ok 4095
195: ok 4096
195: ok 4097
195: ok 4098
195: ok 4099
195: ok 4100
195: ok 4101
195: ok 4102
195: ok 4103
195: ok 4104
195: ok 4105
195: ok 4106
195: ok 4107
195: ok 4108
195: ok 4109
195: ok 4110
195: ok 4111
195: ok 4112
195: ok 4113
195: ok 4114
195: ok 4115
195: ok 4116
195: ok 4117
195: ok 4118
195: ok 4119
195: ok 4120
195: ok 4121
195: ok 4122
195: ok 4123
195: ok 4124
195: ok 4125
195: ok 4126
195: ok 4127
195: ok 4128
195: ok 4129
195: ok 4130
195: ok 4131
195: ok 4132
195: ok 4133
195: ok 4134
195: ok 4135
195: ok 4136
195: ok 4137
195: ok 4138
195: ok 4139
195: ok 4140
195: ok 4141
195: ok 4142
195: ok 4143
195: ok 4144
195: ok 4145
195: ok 4146
195: ok 4147
195: ok 4148
195: ok 4149
195: ok 4150
195: ok 4151
195: ok 4152
195: ok 4153
195: ok 4154
195: ok 4155
195: ok 4156
195: ok 4157
195: ok 4158
195: ok 4159
195: ok 4160
195: ok 4161
195: ok 4162
195: ok 4163
195: ok 4164
195: ok 4165
195: ok 4166
195: ok 4167
195: ok 4168
195: ok 4169
195: ok 4170
195: ok 4171
195: ok 4172
195: ok 4173
195: ok 4174
195: ok 4175
195: ok 4176
195: ok 4177
195: ok 4178
195: ok 4179
195: ok 4180
195: ok 4181
195: ok 4182
195: ok 4183
195: ok 4184
195: ok 4185
195: ok 4186
195: ok 4187
195: ok 4188
195: ok 4189
195: ok 4190
195: ok 4191
195: ok 4192
195: ok 4193
195: ok 4194
195: ok 4195
195: ok 4196
195: ok 4197
195: ok 4198
195: ok 4199
195: ok 4200
195: ok 4201
195: ok 4202
195: ok 4203
195: ok 4204
195: ok 4205
195: ok 4206
195: ok 4207
195: ok 4208
195: ok 4209
195: ok 4210
195: ok 4211
195: ok 4212
195: ok 4213
195: ok 4214
195: ok 4215
195: ok 4216
195: ok 4217
195: ok 4218
195: ok 4219
195: ok 4220
195: ok 4221
195: ok 4222
195: ok 4223
195: ok 4224
195: ok 4225
195: ok 4226
195: ok 4227
195: ok 4228
195: ok 4229
195: ok 4230
195: ok 4231
195: ok 4232
195: ok 4233
195: ok 4234
195: ok 4235
195: ok 4236
195: ok 4237
195: ok 4238
195: ok 4239
195: ok 4240
195: ok 4241
195: ok 4242
195: ok 4243
195: ok 4244
195: ok 4245
195: ok 4246
195: ok 4247
195: ok 4248
195: ok 4249
195: ok 4250
195: ok 4251
195: ok 4252
195: ok 4253
195: ok 4254
195: ok 4255
195: ok 4256
195: ok 4257
195: ok 4258
195: ok 4259
195: ok 4260
195: ok 4261
195: ok 4262
195: ok 4263
195: ok 4264
195: ok 4265
195: ok 4266
195: ok 4267
195: ok 4268
195: ok 4269
195: ok 4270
195: ok 4271
195: ok 4272
195: ok 4273
195: ok 4274
195: ok 4275
195: ok 4276
195: ok 4277
195: ok 4278
195: ok 4279
195: ok 4280
195: ok 4281
195: ok 4282
195: ok 4283
195: ok 4284
195: ok 4285
195: ok 4286
195: ok 4287
195: ok 4288
195: ok 4289
195: ok 4290
195: ok 4291
195: ok 4292
195: ok 4293
195: ok 4294
195: ok 4295
195: ok 4296
195: ok 4297
195: ok 4298
195: ok 4299
195: ok 4300
195: ok 4301
195: ok 4302
195: ok 4303
195: ok 4304
195: ok 4305
195: ok 4306
195: ok 4307
195: ok 4308
195: ok 4309
195: ok 4310
195: ok 4311
195: ok 4312
195: ok 4313
195: ok 4314
195: ok 4315
195: ok 4316
195: ok 4317
195: ok 4318
195: ok 4319
195: ok 4320
195: ok 4321
195: ok 4322
195: ok 4323
195: ok 4324
195: ok 4325
195: ok 4326
195: ok 4327
195: ok 4328
195: ok 4329
195: ok 4330
195: ok 4331
195: ok 4332
195: ok 4333
195: ok 4334
195: ok 4335
195: ok 4336
195: ok 4337
195: ok 4338
195: ok 4339
195: ok 4340
195: ok 4341
195: ok 4342
195: ok 4343
195: ok 4344
195: ok 4345
195: ok 4346
195: ok 4347
195: ok 4348
195: ok 4349
195: ok 4350
195: ok 4351
195: ok 4352
195: ok 4353
195: ok 4354
195: ok 4355
195: ok 4356
195: ok 4357
195: ok 4358
195: ok 4359
195: ok 4360
195: ok 4361
195: ok 4362
195: ok 4363
195: ok 4364
195: ok 4365
195: ok 4366
195: ok 4367
195: ok 4368
195: ok 4369
195: ok 4370
195: ok 4371
195: ok 4372
195: ok 4373
195: ok 4374
195: ok 4375
195: ok 4376
195: ok 4377
195: ok 4378
195: ok 4379
195: ok 4380
195: ok 4381
195: ok 4382
195: ok 4383
195: ok 4384
195: ok 4385
195: ok 4386
195: ok 4387
195: ok 4388
195: ok 4389
195: ok 4390
195: ok 4391
195: ok 4392
195: ok 4393
195: ok 4394
195: ok 4395
195: ok 4396
195: ok 4397
195: ok 4398
195: ok 4399
195: ok 4400
195: ok 4401
195: ok 4402
195: ok 4403
195: ok 4404
195: ok 4405
195: ok 4406
195: ok 4407
195: ok 4408
195: ok 4409
195: ok 4410
195: ok 4411
195: ok 4412
195: ok 4413
195: ok 4414
195: ok 4415
195: ok 4416
195: ok 4417
195: ok 4418
195: ok 4419
195: ok 4420
195: ok 4421
195: ok 4422
195: ok 4423
195: ok 4424
195: ok 4425
195: ok 4426
195: ok 4427
195: ok 4428
195: ok 4429
195: ok 4430
195: ok 4431
195: ok 4432
195: ok 4433
195: ok 4434
195: ok 4435
195: ok 4436
195: ok 4437
195: ok 4438
195: ok 4439
195: ok 4440
195: ok 4441
195: ok 4442
195: ok 4443
195: ok 4444
195: ok 4445
195: ok 4446
195: ok 4447
195: ok 4448
195: ok 4449
195: ok 4450
195: ok 4451
195: ok 4452
195: ok 4453
195: ok 4454
195: ok 4455
195: ok 4456
195: ok 4457
195: ok 4458
195: ok 4459
195: ok 4460
195: ok 4461
195: ok 4462
195: ok 4463
195: ok 4464
195: ok 4465
195: ok 4466
195: ok 4467
195: ok 4468
195: ok 4469
195: ok 4470
195: ok 4471
195: ok 4472
195: ok 4473
195: ok 4474
195: ok 4475
195: ok 4476
195: ok 4477
195: ok 4478
195: ok 4479
195: ok 4480
195: ok 4481
195: ok 4482
195: ok 4483
195: ok 4484
195: ok 4485
195: ok 4486
195: ok 4487
195: ok 4488
195: ok 4489
195: ok 4490
195: ok 4491
195: ok 4492
195: ok 4493
195: ok 4494
195: ok 4495
195: ok 4496
195: ok 4497
195: ok 4498
195: ok 4499
195: ok 4500
195: ok 4501
195: ok 4502
195: ok 4503
195: ok 4504
195: ok 4505
195: ok 4506
195: ok 4507
195: ok 4508
195: ok 4509
195: ok 4510
195: ok 4511
195: ok 4512
195: ok 4513
195: ok 4514
195: ok 4515
195: ok 4516
195: ok 4517
195: ok 4518
195: ok 4519
195: ok 4520
195: ok 4521
195: ok 4522
195: ok 4523
195: ok 4524
195: ok 4525
195: ok 4526
195: ok 4527
195: ok 4528
195: ok 4529
195: ok 4530
195: ok 4531
195: ok 4532
195: ok 4533
195: ok 4534
195: ok 4535
195: ok 4536
195: ok 4537
195: ok 4538
195: ok 4539
195: ok 4540
195: ok 4541
195: ok 4542
195: ok 4543
195: ok 4544
195: ok 4545
195: ok 4546
195: ok 4547
195: ok 4548
195: ok 4549
195: ok 4550
195: ok 4551
195: ok 4552
195: ok 4553
195: ok 4554
195: ok 4555
195: ok 4556
195: ok 4557
195: ok 4558
195: ok 4559
195: ok 4560
195: ok 4561
195: ok 4562
195: ok 4563
195: ok 4564
195: ok 4565
195: ok 4566
195: ok 4567
195: ok 4568
195: ok 4569
195: ok 4570
195: ok 4571
195: ok 4572
195: ok 4573
195: ok 4574
195: ok 4575
195: ok 4576
195: ok 4577
195: ok 4578
195: ok 4579
195: ok 4580
195: ok 4581
195: ok 4582
195: ok 4583
195: ok 4584
195: ok 4585
195: ok 4586
195: ok 4587
195: ok 4588
195: ok 4589
195: ok 4590
195: ok 4591
195: ok 4592
195: ok 4593
195: ok 4594
195: ok 4595
195: ok 4596
195: ok 4597
195: ok 4598
195: ok 4599
195: ok 4600
195: ok 4601
195: ok 4602
195: ok 4603
195: ok 4604
195: ok 4605
195: ok 4606
195: ok 4607
195: ok 4608
195: ok 4609
195: ok 4610
195: ok 4611
195: ok 4612
195: ok 4613
195: ok 4614
195: ok 4615
195: ok 4616
195: ok 4617
195: ok 4618
195: ok 4619
195: ok 4620
195: ok 4621
195: ok 4622
195: ok 4623
195: ok 4624
195: ok 4625
195: ok 4626
195: ok 4627
195: ok 4628
195: ok 4629
195: ok 4630
195: ok 4631
195: ok 4632
195: ok 4633
195: ok 4634
195: ok 4635
195: ok 4636
195: ok 4637
195: ok 4638
195: ok 4639
195: ok 4640
195: ok 4641
195: ok 4642
195: ok 4643
195: ok 4644
195: ok 4645
195: ok 4646
195: ok 4647
195: ok 4648
195: ok 4649
195: ok 4650
195: ok 4651
195: ok 4652
195: ok 4653
195: ok 4654
195: ok 4655
195: ok 4656
195: ok 4657
195: ok 4658
195: ok 4659
195: ok 4660
195: ok 4661
195: ok 4662
195: ok 4663
195: ok 4664
195: ok 4665
195: ok 4666
195: ok 4667
195: ok 4668
195: ok 4669
195: ok 4670
195: ok 4671
195: ok 4672
195: ok 4673
195: ok 4674
195: ok 4675
195: ok 4676
195: ok 4677
195: ok 4678
195: ok 4679
195: ok 4680
195: ok 4681
195: ok 4682
195: ok 4683
195: ok 4684
195: ok 4685
195: ok 4686
195: ok 4687
195: ok 4688
195: ok 4689
195: ok 4690
195: ok 4691
195: ok 4692
195: ok 4693
195: ok 4694
195: ok 4695
195: ok 4696
195: ok 4697
195: ok 4698
195: ok 4699
195: ok 4700
195: ok 4701
195: ok 4702
195: ok 4703
195: ok 4704
195: ok 4705
195: ok 4706
195: ok 4707
195: ok 4708
195: ok 4709
195: ok 4710
195: ok 4711
195: ok 4712
195: ok 4713
195: ok 4714
195: ok 4715
195: ok 4716
195: ok 4717
195: ok 4718
195: ok 4719
195: ok 4720
195: ok 4721
195: ok 4722
195: ok 4723
195: ok 4724
195: ok 4725
195: ok 4726
195: ok 4727
195: ok 4728
195: ok 4729
195: ok 4730
195: ok 4731
195: ok 4732
195: ok 4733
195: ok 4734
195: ok 4735
195: ok 4736
195: ok 4737
195: ok 4738
195: ok 4739
195: ok 4740
195: ok 4741
195: ok 4742
195: ok 4743
195: ok 4744
195: ok 4745
195: ok 4746
195: ok 4747
195: ok 4748
195: ok 4749
195: ok 4750
195: ok 4751
195: ok 4752
195: ok 4753
195: ok 4754
195: ok 4755
195: ok 4756
195: ok 4757
195: ok 4758
195: ok 4759
195: ok 4760
195: ok 4761
195: ok 4762
195: ok 4763
195: ok 4764
195: ok 4765
195: ok 4766
195: ok 4767
195: ok 4768
195: ok 4769
195: ok 4770
195: ok 4771
195: ok 4772
195: ok 4773
195: ok 4774
195: ok 4775
195: ok 4776
195: ok 4777
195: ok 4778
195: ok 4779
195: ok 4780
195: ok 4781
195: ok 4782
195: ok 4783
195: ok 4784
195: ok 4785
195: ok 4786
195: ok 4787
195: ok 4788
195: ok 4789
195: ok 4790
195: ok 4791
195: ok 4792
195: ok 4793
195: ok 4794
195: ok 4795
195: ok 4796
195: ok 4797
195: ok 4798
195: ok 4799
195: ok 4800
195: ok 4801
195: ok 4802
195: ok 4803
195: ok 4804
195: ok 4805
195: ok 4806
195: ok 4807
195: ok 4808
195: ok 4809
195: ok 4810
195: ok 4811
195: ok 4812
195: ok 4813
195: ok 4814
195: ok 4815
195: ok 4816
195: ok 4817
195: ok 4818
195: ok 4819
195: ok 4820
195: ok 4821
195: ok 4822
195: ok 4823
195: ok 4824
195: ok 4825
195: ok 4826
195: ok 4827
195: ok 4828
195: ok 4829
195: ok 4830
195: ok 4831
195: ok 4832
195: ok 4833
195: ok 4834
195: ok 4835
195: ok 4836
195: ok 4837
195: ok 4838
195: ok 4839
195: ok 4840
195: ok 4841
195: ok 4842
195: ok 4843
195: ok 4844
195: ok 4845
195: ok 4846
195: ok 4847
195: ok 4848
195: ok 4849
195: ok 4850
195: ok 4851
195: ok 4852
195: ok 4853
195: ok 4854
195: ok 4855
195: ok 4856
195: ok 4857
195: ok 4858
195: ok 4859
195: ok 4860
195: ok 4861
195: ok 4862
195: ok 4863
195: ok 4864
195: ok 4865
195: ok 4866
195: ok 4867
195: ok 4868
195: ok 4869
195: ok 4870
195: ok 4871
195: ok 4872
195: ok 4873
195: ok 4874
195: ok 4875
195: ok 4876
195: ok 4877
195: ok 4878
195: ok 4879
195: ok 4880
195: ok 4881
195: ok 4882
195: ok 4883
195: ok 4884
195: ok 4885
195: ok 4886
195: ok 4887
195: ok 4888
195: ok 4889
195: ok 4890
195: ok 4891
195: ok 4892
195: ok 4893
195: ok 4894
195: ok 4895
195: ok 4896
195: ok 4897
195: ok 4898
195: ok 4899
195: ok 4900
195: ok 4901
195: ok 4902
195: ok 4903
195: ok 4904
195: ok 4905
195: ok 4906
195: ok 4907
195: ok 4908
195: ok 4909
195: ok 4910
195: ok 4911
195: ok 4912
195: ok 4913
195: ok 4914
195: ok 4915
195: ok 4916
195: ok 4917
195: ok 4918
195: ok 4919
195: ok 4920
195: ok 4921
195: ok 4922
195: ok 4923
195: ok 4924
195: ok 4925
195: ok 4926
195: ok 4927
195: ok 4928
195: ok 4929
195: ok 4930
195: ok 4931
195: ok 4932
195: ok 4933
195: ok 4934
195: ok 4935
195: ok 4936
195: ok 4937
195: ok 4938
195: ok 4939
195: ok 4940
195: ok 4941
195: ok 4942
195: ok 4943
195: ok 4944
195: ok 4945
195: ok 4946
195: ok 4947
195: ok 4948
195: ok 4949
195: ok 4950
195: ok 4951
195: ok 4952
195: ok 4953
195: ok 4954
195: ok 4955
195: ok 4956
195: ok 4957
195: ok 4958
195: ok 4959
195: ok 4960
195: ok 4961
195: ok 4962
195: ok 4963
195: ok 4964
195: ok 4965
195: ok 4966
195: ok 4967
195: ok 4968
195: ok 4969
195: ok 4970
195: ok 4971
195: ok 4972
195: ok 4973
195: ok 4974
195: ok 4975
195: ok 4976
195: ok 4977
195: ok 4978
195: ok 4979
195: ok 4980
195: ok 4981
195: ok 4982
195: ok 4983
195: ok 4984
195: ok 4985
195: ok 4986
195: ok 4987
195: ok 4988
195: ok 4989
195: ok 4990
195: ok 4991
195: ok 4992
195: ok 4993
195: ok 4994
195: ok 4995
195: ok 4996
195: ok 4997
195: ok 4998
195: ok 4999
195: ok 5000
195: ok 5001
195: ok 5002
195: ok 5003
195: ok 5004
195: ok 5005
195: ok 5006
195: ok 5007
195: ok 5008
195: ok 5009
195: ok 5010
195: ok 5011
195: ok 5012
195: ok 5013
195: ok 5014
195: ok 5015
195: ok 5016
195: ok 5017
195: ok 5018
195: ok 5019
195: ok 5020
195: ok 5021
195: ok 5022
195: ok 5023
195: ok 5024
195: ok 5025
195: ok 5026
195: ok 5027
195: ok 5028
195: ok 5029
195: ok 5030
195: ok 5031
195: ok 5032
195: ok 5033
195: ok 5034
195: ok 5035
195: ok 5036
195: ok 5037
195: ok 5038
195: ok 5039
195: ok 5040
195: ok 5041
195: ok 5042
195: ok 5043
195: ok 5044
195: ok 5045
195: ok 5046
195: ok 5047
195: ok 5048
195: ok 5049
195: ok 5050
195: ok 5051
195: ok 5052
195: ok 5053
195: ok 5054
195: ok 5055
195: ok 5056
195: ok 5057
195: ok 5058
195: ok 5059
195: ok 5060
195: ok 5061
195: ok 5062
195: ok 5063
195: ok 5064
195: ok 5065
195: ok 5066
195: ok 5067
195: ok 5068
195: ok 5069
195: ok 5070
195: ok 5071
195: ok 5072
195: ok 5073
195: ok 5074
195: ok 5075
195: ok 5076
195: ok 5077
195: ok 5078
195: ok 5079
195: ok 5080
195: ok 5081
195: ok 5082
195: ok 5083
195: ok 5084
195: ok 5085
195: ok 5086
195: ok 5087
195: ok 5088
195: ok 5089
195: ok 5090
195: ok 5091
195: ok 5092
195: ok 5093
195: ok 5094
195: ok 5095
195: ok 5096
195: ok 5097
195: ok 5098
195: ok 5099
195: ok 5100
195: ok 5101
195: ok 5102
195: ok 5103
195: ok 5104
195: ok 5105
195: ok 5106
195: ok 5107
195: ok 5108
195: ok 5109
195: ok 5110
195: ok 5111
195: ok 5112
195: ok 5113
195: ok 5114
195: ok 5115
195: ok 5116
195: ok 5117
195: ok 5118
195: ok 5119
195: ok 5120
195: ok 5121
195: ok 5122
195: ok 5123
195: ok 5124
195: ok 5125
195: ok 5126
195: ok 5127
195: ok 5128
195: ok 5129
195: ok 5130
195: ok 5131
195: ok 5132
195: ok 5133
195: ok 5134
195: ok 5135
195: ok 5136
195: ok 5137
195: ok 5138
195: ok 5139
195: ok 5140
195: ok 5141
195: ok 5142
195: ok 5143
195: ok 5144
195: ok 5145
195: ok 5146
195: ok 5147
195: ok 5148
195: ok 5149
195: ok 5150
195: ok 5151
195: ok 5152
195: ok 5153
195: ok 5154
195: ok 5155
195: ok 5156
195: ok 5157
195: ok 5158
195: ok 5159
195: ok 5160
195: ok 5161
195: ok 5162
195: ok 5163
195: ok 5164
195: ok 5165
195: ok 5166
195: ok 5167
195: ok 5168
195: ok 5169
195: ok 5170
195: ok 5171
195: ok 5172
195: ok 5173
195: ok 5174
195: ok 5175
195: ok 5176
195: ok 5177
195: ok 5178
195: ok 5179
195: ok 5180
195: ok 5181
195: ok 5182
195: ok 5183
195: ok 5184
195: ok 5185
195: ok 5186
195: ok 5187
195: ok 5188
195: ok 5189
195: ok 5190
195: ok 5191
195: ok 5192
195: ok 5193
195: ok 5194
195: ok 5195
195: ok 5196
195: ok 5197
195: ok 5198
195: ok 5199
195: ok 5200
195: ok 5201
195: ok 5202
195: ok 5203
195: ok 5204
195: ok 5205
195: ok 5206
195: ok 5207
195: ok 5208
195: ok 5209
195: ok 5210
195: ok 5211
195: ok 5212
195: ok 5213
195: ok 5214
195: ok 5215
195: ok 5216
195: ok 5217
195: ok 5218
195: ok 5219
195: ok 5220
195: ok 5221
195: ok 5222
195: ok 5223
195: ok 5224
195: ok 5225
195: ok 5226
195: ok 5227
195: ok 5228
195: ok 5229
195: ok 5230
195: ok 5231
195: ok 5232
195: ok 5233
195: ok 5234
195: ok 5235
195: ok 5236
195: ok 5237
195: ok 5238
195: ok 5239
195: ok 5240
195: ok 5241
195: ok 5242
195: ok 5243
195: ok 5244
195: ok 5245
195: ok 5246
195: ok 5247
195: ok 5248
195: ok 5249
195: ok 5250
195: ok 5251
195: ok 5252
195: ok 5253
195: ok 5254
195: ok 5255
195: ok 5256
195: ok 5257
195: ok 5258
195: ok 5259
195: ok 5260
195: ok 5261
195: ok 5262
195: ok 5263
195: ok 5264
195: ok 5265
195: ok 5266
195: ok 5267
195: ok 5268
195: ok 5269
195: ok 5270
195: ok 5271
195: ok 5272
195: ok 5273
195: ok 5274
195: ok 5275
195: ok 5276
195: ok 5277
195: ok 5278
195: ok 5279
195: ok 5280
195: ok 5281
195: ok 5282
195: ok 5283
195: ok 5284
195: ok 5285
195: ok 5286
195: ok 5287
195: ok 5288
195: ok 5289
195: ok 5290
195: ok 5291
195: ok 5292
195: ok 5293
195: ok 5294
195: ok 5295
195: ok 5296
195: ok 5297
195: ok 5298
195: ok 5299
195: ok 5300
195: ok 5301
195: ok 5302
195: ok 5303
195: ok 5304
195: ok 5305
195: ok 5306
195: ok 5307
195: ok 5308
195: ok 5309
195: ok 5310
195: ok 5311
195: ok 5312
195: ok 5313
195: ok 5314
195: ok 5315
195: ok 5316
195: ok 5317
195: ok 5318
195: ok 5319
195: ok 5320
195: ok 5321
195: ok 5322
195: ok 5323
195: ok 5324
195: ok 5325
195: ok 5326
195: ok 5327
195: ok 5328
195: ok 5329
195: ok 5330
195: ok 5331
195: ok 5332
195: ok 5333
195: ok 5334
195: ok 5335
195: ok 5336
195: ok 5337
195: ok 5338
195: ok 5339
195: ok 5340
195: ok 5341
195: ok 5342
195: ok 5343
195: ok 5344
195: ok 5345
195: ok 5346
195: ok 5347
195: ok 5348
195: ok 5349
195: ok 5350
195: ok 5351
195: ok 5352
195: ok 5353
195: ok 5354
195: ok 5355
195: ok 5356
195: ok 5357
195: ok 5358
195: ok 5359
195: ok 5360
195: ok 5361
195: ok 5362
195: ok 5363
195: ok 5364
195: ok 5365
195: ok 5366
195: ok 5367
195: ok 5368
195: ok 5369
195: ok 5370
195: ok 5371
195: ok 5372
195: ok 5373
195: ok 5374
195: ok 5375
195: ok 5376
195: ok 5377
195: ok 5378
195: ok 5379
195: ok 5380
195: ok 5381
195: ok 5382
195: ok 5383
195: ok 5384
195: ok 5385
195: ok 5386
195: ok 5387
195: ok 5388
195: ok 5389
195: ok 5390
195: ok 5391
195: ok 5392
195: ok 5393
195: ok 5394
195: ok 5395
195: ok 5396
195: ok 5397
195: ok 5398
195: ok 5399
195: ok 5400
195: ok 5401
195: ok 5402
195: ok 5403
195: ok 5404
195: ok 5405
195: ok 5406
195: ok 5407
195: ok 5408
195: ok 5409
195: ok 5410
195: ok 5411
195: ok 5412
195: ok 5413
195: ok 5414
195: ok 5415
195: ok 5416
195: ok 5417
195: ok 5418
195: ok 5419
195: ok 5420
195: ok 5421
195: ok 5422
195: ok 5423
195: ok 5424
195: ok 5425
195: ok 5426
195: ok 5427
195: ok 5428
195: ok 5429
195: ok 5430
195: ok 5431
195: ok 5432
195: ok 5433
195: ok 5434
195: ok 5435
195: ok 5436
195: ok 5437
195: ok 5438
195: ok 5439
195: ok 5440
195: ok 5441
195: ok 5442
195: ok 5443
195: ok 5444
195: ok 5445
195: ok 5446
195: ok 5447
195: ok 5448
195: ok 5449
195: ok 5450
195: ok 5451
195: ok 5452
195: ok 5453
195: ok 5454
195: ok 5455
195: ok 5456
195: ok 5457
195: ok 5458
195: ok 5459
195: ok 5460
195: ok 5461
195: ok 5462
195: ok 5463
195: ok 5464
195: ok 5465
195: ok 5466
195: ok 5467
195: ok 5468
195: ok 5469
195: ok 5470
195: ok 5471
195: ok 5472
195: ok 5473
195: ok 5474
195: ok 5475
195: ok 5476
195: ok 5477
195: ok 5478
195: ok 5479
195: ok 5480
195: ok 5481
195: ok 5482
195: ok 5483
195: ok 5484
195: ok 5485
195: ok 5486
195: ok 5487
195: ok 5488
195: ok 5489
195: ok 5490
195: ok 5491
195: ok 5492
195: ok 5493
195: ok 5494
195: ok 5495
195: ok 5496
195: ok 5497
195: ok 5498
195: ok 5499
195: ok 5500
195: ok 5501
195: ok 5502
195: ok 5503
195: ok 5504
195: ok 5505
195: ok 5506
195: ok 5507
195: ok 5508
195: ok 5509
195: ok 5510
195: ok 5511
195: ok 5512
195: ok 5513
195: ok 5514
195: ok 5515
195: ok 5516
195: ok 5517
195: ok 5518
195: ok 5519
195: ok 5520
195: ok 5521
195: ok 5522
195: ok 5523
195: ok 5524
195: ok 5525
195: ok 5526
195: ok 5527
195: ok 5528
195: ok 5529
195: ok 5530
195: ok 5531
195: ok 5532
195: ok 5533
195: ok 5534
195: ok 5535
195: ok 5536
195: ok 5537
195: ok 5538
195: ok 5539
195: ok 5540
195: ok 5541
195: ok 5542
195: ok 5543
195: ok 5544
195: ok 5545
195: ok 5546
195: ok 5547
195: ok 5548
195: ok 5549
195: ok 5550
195: ok 5551
195: ok 5552
195: ok 5553
195: ok 5554
195: ok 5555
195: ok 5556
195: ok 5557
195: ok 5558
195: ok 5559
195: ok 5560
195: ok 5561
195: ok 5562
195: ok 5563
195: ok 5564
195: ok 5565
195: ok 5566
195: ok 5567
195: ok 5568
195: ok 5569
195: ok 5570
195: ok 5571
195: ok 5572
195: ok 5573
195: ok 5574
195: ok 5575
195: ok 5576
195: ok 5577
195: ok 5578
195: ok 5579
195: ok 5580
195: ok 5581
195: ok 5582
195: ok 5583
195: ok 5584
195: ok 5585
195: ok 5586
195: ok 5587
195: ok 5588
195: ok 5589
195: ok 5590
195: ok 5591
195: ok 5592
195: ok 5593
195: ok 5594
195: ok 5595
195: ok 5596
195: ok 5597
195: ok 5598
195: ok 5599
195: ok 5600
195: ok 5601
195: ok 5602
195: ok 5603
195: ok 5604
195: ok 5605
195: ok 5606
195: ok 5607
195: ok 5608
195: ok 5609
195: ok 5610
195: ok 5611
195: ok 5612
195: ok 5613
195: ok 5614
195: ok 5615
195: ok 5616
195: ok 5617
195: ok 5618
195: ok 5619
195: ok 5620
195: ok 5621
195: ok 5622
195: ok 5623
195: ok 5624
195: ok 5625
195: ok 5626
195: ok 5627
195: ok 5628
195: ok 5629
195: ok 5630
195: ok 5631
195: ok 5632
195: ok 5633
195: ok 5634
195: ok 5635
195: ok 5636
195: ok 5637
195: ok 5638
195: ok 5639
195: ok 5640
195: ok 5641
195: ok 5642
195: ok 5643
195: ok 5644
195: ok 5645
195: ok 5646
195: ok 5647
195: ok 5648
195: ok 5649
195: ok 5650
195: ok 5651
195: ok 5652
195: ok 5653
195: ok 5654
195: ok 5655
195: ok 5656
195: ok 5657
195: ok 5658
195: ok 5659
195: ok 5660
195: ok 5661
195: ok 5662
195: ok 5663
195: ok 5664
195: ok 5665
195: ok 5666
195: ok 5667
195: ok 5668
195: ok 5669
195: ok 5670
195: ok 5671
195: ok 5672
195: ok 5673
195: ok 5674
195: ok 5675
195: ok 5676
195: ok 5677
195: ok 5678
195: ok 5679
195: ok 5680
195: ok 5681
195: ok 5682
195: ok 5683
195: ok 5684
195: ok 5685
195: ok 5686
195: ok 5687
195: ok 5688
195: ok 5689
195: ok 5690
195: ok 5691
195: ok 5692
195: ok 5693
195: ok 5694
195: ok 5695
195: ok 5696
195: ok 5697
195: ok 5698
195: ok 5699
195: ok 5700
195: ok 5701
195: ok 5702
195: ok 5703
195: ok 5704
195: ok 5705
195: ok 5706
195: ok 5707
195: ok 5708
195: ok 5709
195: ok 5710
195: ok 5711
195: ok 5712
195: ok 5713
195: ok 5714
195: ok 5715
195: ok 5716
195: ok 5717
195: ok 5718
195: ok 5719
195: ok 5720
195: ok 5721
195: ok 5722
195: ok 5723
195: ok 5724
195: ok 5725
195: ok 5726
195: ok 5727
195: ok 5728
195: ok 5729
195: ok 5730
195: ok 5731
195: ok 5732
195: ok 5733
195: ok 5734
195: ok 5735
195: ok 5736
195: ok 5737
195: ok 5738
195: ok 5739
195: ok 5740
195: ok 5741
195: ok 5742
195: ok 5743
195: ok 5744
195: ok 5745
195: ok 5746
195: ok 5747
195: ok 5748
195: ok 5749
195: ok 5750
195: ok 5751
195: ok 5752
195: ok 5753
195: ok 5754
195: ok 5755
195: ok 5756
195: ok 5757
195: ok 5758
195: ok 5759
195: ok 5760
195: ok 5761
195: ok 5762
195: ok 5763
195: ok 5764
195: ok 5765
195: ok 5766
195: ok 5767
195: ok 5768
195: ok 5769
195: ok 5770
195: ok 5771
195: ok 5772
195: ok 5773
195: ok 5774
195: ok 5775
195: ok 5776
195: ok 5777
195: ok 5778
195: ok 5779
195: ok 5780
195: ok 5781
195: ok 5782
195: ok 5783
195: ok 5784
195: ok 5785
195: ok 5786
195: ok 5787
195: ok 5788
195: ok 5789
195: ok 5790
195: ok 5791
195: ok 5792
195: ok 5793
195: ok 5794
195: ok 5795
195: ok 5796
195: ok 5797
195: ok 5798
195: ok 5799
195: ok 5800
195: ok 5801
195: ok 5802
195: ok 5803
195: ok 5804
195: ok 5805
195: ok 5806
195: ok 5807
195: ok 5808
195: ok 5809
195: ok 5810
195: ok 5811
195: ok 5812
195: ok 5813
195: ok 5814
195: ok 5815
195: ok 5816
195: ok 5817
195: ok 5818
195: ok 5819
195: ok 5820
195: ok 5821
195: ok 5822
195: ok 5823
195: ok 5824
195: ok 5825
195: ok 5826
195: ok 5827
195: ok 5828
195: ok 5829
195: ok 5830
195: ok 5831
195: ok 5832
195: ok 5833
195: ok 5834
195: ok 5835
195: ok 5836
195: ok 5837
195: ok 5838
195: ok 5839
195: ok 5840
195: ok 5841
195: ok 5842
195: ok 5843
195: ok 5844
195: ok 5845
195: ok 5846
195: ok 5847
195: ok 5848
195: ok 5849
195: ok 5850
195: ok 5851
195: ok 5852
195: ok 5853
195: ok 5854
195: ok 5855
195: ok 5856
195: ok 5857
195: ok 5858
195: ok 5859
195: ok 5860
195: ok 5861
195: ok 5862
195: ok 5863
195: ok 5864
195: ok 5865
195: ok 5866
195: ok 5867
195: ok 5868
195: ok 5869
195: ok 5870
195: ok 5871
195: ok 5872
195: ok 5873
195: ok 5874
195: ok 5875
195: ok 5876
195: ok 5877
195: ok 5878
195: ok 5879
195: ok 5880
195: ok 5881
195: ok 5882
195: ok 5883
195: ok 5884
195: ok 5885
195: ok 5886
195: ok 5887
195: ok 5888
195: ok 5889
195: ok 5890
195: ok 5891
195: ok 5892
195: ok 5893
195: ok 5894
195: ok 5895
195: ok 5896
195: ok 5897
195: ok 5898
195: ok 5899
195: ok 5900
195: ok 5901
195: ok 5902
195: ok 5903
195: ok 5904
195: ok 5905
195: ok 5906
195: ok 5907
195: ok 5908
195: ok 5909
195: ok 5910
195: ok 5911
195: ok 5912
195: ok 5913
195: ok 5914
195: ok 5915
195: ok 5916
195: ok 5917
195: ok 5918
195: ok 5919
195: ok 5920
195: ok 5921
195: ok 5922
195: ok 5923
195: ok 5924
195: ok 5925
195: ok 5926
195: ok 5927
195: ok 5928
195: ok 5929
195: ok 5930
195: ok 5931
195: ok 5932
195: ok 5933
195: ok 5934
195: ok 5935
195: ok 5936
195: ok 5937
195: ok 5938
195: ok 5939
195: ok 5940
195: ok 5941
195: ok 5942
195: ok 5943
195: ok 5944
195: ok 5945
195: ok 5946
195: ok 5947
195: ok 5948
195: ok 5949
195: ok 5950
195: ok 5951
195: ok 5952
195: ok 5953
195: ok 5954
195: ok 5955
195: ok 5956
195: ok 5957
195: ok 5958
195: ok 5959
195: ok 5960
195: ok 5961
195: ok 5962
195: ok 5963
195: ok 5964
195: ok 5965
195: ok 5966
195: ok 5967
195: ok 5968
195: ok 5969
195: ok 5970
195: ok 5971
195: ok 5972
195: ok 5973
195: ok 5974
195: ok 5975
195: ok 5976
195: ok 5977
195: ok 5978
195: ok 5979
195: ok 5980
195: ok 5981
195: ok 5982
195: ok 5983
195: ok 5984
195: ok 5985
195: ok 5986
195: ok 5987
195: ok 5988
195: ok 5989
195: ok 5990
195: ok 5991
195: ok 5992
195: ok 5993
195: ok 5994
195: ok 5995
195: ok 5996
195: ok 5997
195: ok 5998
195: ok 5999
195: ok 6000
195: ok 6001
195: ok 6002
195: ok 6003
195: ok 6004
195: ok 6005
195: ok 6006
195: ok 6007
195: ok 6008
195: ok 6009
195: ok 6010
195: ok 6011
195: ok 6012
195: ok 6013
195: ok 6014
195: ok 6015
195: ok 6016
195: ok 6017
195: ok 6018
195: ok 6019
195: ok 6020
195: ok 6021
195: ok 6022
195: ok 6023
195: ok 6024
195: ok 6025
195: ok 6026
195: ok 6027
195: ok 6028
195: ok 6029
195: ok 6030
195: ok 6031
195: ok 6032
195: ok 6033
195: ok 6034
195: ok 6035
195: ok 6036
195: ok 6037
195: ok 6038
195: ok 6039
195: ok 6040
195: ok 6041
195: ok 6042
195: ok 6043
195: ok 6044
195: ok 6045
195: ok 6046
195: ok 6047
195: ok 6048
195: ok 6049
195: ok 6050
195: ok 6051
195: ok 6052
195: ok 6053
195: ok 6054
195: ok 6055
195: ok 6056
195: ok 6057
195: ok 6058
195: ok 6059
195: ok 6060
195: ok 6061
195: ok 6062
195: ok 6063
195: ok 6064
195: ok 6065
195: ok 6066
195: ok 6067
195: ok 6068
195: ok 6069
195: ok 6070
195: ok 6071
195: ok 6072
195: ok 6073
195: ok 6074
195: ok 6075
195: ok 6076
195: ok 6077
195: ok 6078
195: ok 6079
195: ok 6080
195: ok 6081
195: ok 6082
195: ok 6083
195: ok 6084
195: ok 6085
195: ok 6086
195: ok 6087
195: ok 6088
195: ok 6089
195: ok 6090
195: ok 6091
195: ok 6092
195: ok 6093
195: ok 6094
195: ok 6095
195: ok 6096
195: ok 6097
195: ok 6098
195: ok 6099
195: ok 6100
195: ok 6101
195: ok 6102
195: ok 6103
195: ok 6104
195: ok 6105
195: ok 6106
195: ok 6107
195: ok 6108
195: ok 6109
195: ok 6110
195: ok 6111
195: ok 6112
195: ok 6113
195: ok 6114
195: ok 6115
195: ok 6116
195: ok 6117
195: ok 6118
195: ok 6119
195: ok 6120
195: ok 6121
195: ok 6122
195: ok 6123
195: ok 6124
195: ok 6125
195: ok 6126
195: ok 6127
195: ok 6128
195: ok 6129
195: ok 6130
195: ok 6131
195: ok 6132
195: ok 6133
195: ok 6134
195: ok 6135
195: ok 6136
195: ok 6137
195: ok 6138
195: ok 6139
195: ok 6140
195: ok 6141
195: ok 6142
195: ok 6143
195: ok 6144
195: ok 6145
195: ok 6146
195: ok 6147
195: ok 6148
195: ok 6149
195: ok 6150
195: ok 6151
195: ok 6152
195: ok 6153
195: ok 6154
195: ok 6155
195: ok 6156
195: ok 6157
195: ok 6158
195: ok 6159
195: ok 6160
195: ok 6161
195: ok 6162
195: ok 6163
195: ok 6164
195: ok 6165
195: ok 6166
195: ok 6167
195: ok 6168
195: ok 6169
195: ok 6170
195: ok 6171
195: ok 6172
195: ok 6173
195: ok 6174
195: ok 6175
195: ok 6176
195: ok 6177
195: ok 6178
195: ok 6179
195: ok 6180
195: ok 6181
195: ok 6182
195: ok 6183
195: ok 6184
195: ok 6185
195: ok 6186
195: ok 6187
195: ok 6188
195: ok 6189
195: ok 6190
195: ok 6191
195: ok 6192
195: ok 6193
195: ok 6194
195: ok 6195
195: ok 6196
195: ok 6197
195: ok 6198
195: ok 6199
195: ok 6200
195: ok 6201
195: ok 6202
195: ok 6203
195: ok 6204
195: ok 6205
195: ok 6206
195: ok 6207
195: ok 6208
195: ok 6209
195: ok 6210
195: ok 6211
195: ok 6212
195: ok 6213
195: ok 6214
195: ok 6215
195: ok 6216
195: ok 6217
195: ok 6218
195: ok 6219
195: ok 6220
195: ok 6221
195: ok 6222
195: ok 6223
195: ok 6224
195: ok 6225
195: ok 6226
195: ok 6227
195: ok 6228
195: ok 6229
195: ok 6230
195: ok 6231
195: ok 6232
195: ok 6233
195: ok 6234
195: ok 6235
195: ok 6236
195: ok 6237
195: ok 6238
195: ok 6239
195: ok 6240
195: ok 6241
195: ok 6242
195: ok 6243
195: ok 6244
195: ok 6245
195: ok 6246
195: ok 6247
195: ok 6248
195: ok 6249
195: ok 6250
195: ok 6251
195: ok 6252
195: ok 6253
195: ok 6254
195: ok 6255
195: ok 6256
195: ok 6257
195: ok 6258
195: ok 6259
195: ok 6260
195: ok 6261
195: ok 6262
195: ok 6263
195: ok 6264
195: ok 6265
195: ok 6266
195: ok 6267
195: ok 6268
195: ok 6269
195: ok 6270
195: ok 6271
195: ok 6272
195: ok 6273
195: ok 6274
195: ok 6275
195: ok 6276
195: ok 6277
195: ok 6278
195: ok 6279
195: ok 6280
195: ok 6281
195: ok 6282
195: ok 6283
195: ok 6284
195: ok 6285
195: ok 6286
195: ok 6287
195: ok 6288
195: ok 6289
195: ok 6290
195: ok 6291
195: ok 6292
195: ok 6293
195: ok 6294
195: ok 6295
195: ok 6296
195: ok 6297
195: ok 6298
195: ok 6299
195: ok 6300
195: ok 6301
195: ok 6302
195: ok 6303
195: ok 6304
195: ok 6305
195: ok 6306
195: ok 6307
195: ok 6308
195: ok 6309
195: ok 6310
195: ok 6311
195: ok 6312
195: ok 6313
195: ok 6314
195: ok 6315
195: ok 6316
195: ok 6317
195: ok 6318
195: ok 6319
195: ok 6320
195: ok 6321
195: ok 6322
195: ok 6323
195: ok 6324
195: ok 6325
195: ok 6326
195: ok 6327
195: ok 6328
195: ok 6329
195: ok 6330
195: ok 6331
195: ok 6332
195: ok 6333
195: ok 6334
195: ok 6335
195: ok 6336
195: ok 6337
195: ok 6338
195: ok 6339
195: ok 6340
195: ok 6341
195: ok 6342
195: ok 6343
195: ok 6344
195: ok 6345
195: ok 6346
195: ok 6347
195: ok 6348
195: ok 6349
195: ok 6350
195: ok 6351
195: ok 6352
195: ok 6353
195: ok 6354
195: ok 6355
195: ok 6356
195: ok 6357
195: ok 6358
195: ok 6359
195: ok 6360
195: ok 6361
195: ok 6362
195: ok 6363
195: ok 6364
195: ok 6365
195: ok 6366
195: ok 6367
195: ok 6368
195: ok 6369
195: ok 6370
195: ok 6371
195: ok 6372
195: ok 6373
195: ok 6374
195: ok 6375
195: ok 6376
195: ok 6377
195: ok 6378
195: ok 6379
195: ok 6380
195: ok 6381
195: ok 6382
195: ok 6383
195: ok 6384
195: ok 6385
195: ok 6386
195: ok 6387
195: ok 6388
195: ok 6389
195: ok 6390
195: ok 6391
195: ok 6392
195: ok 6393
195: ok 6394
195: ok 6395
195: ok 6396
195: ok 6397
195: ok 6398
195: ok 6399
195: ok 6400
195: ok 6401
195: ok 6402
195: ok 6403
195: ok 6404
195: ok 6405
195: ok 6406
195: ok 6407
195: ok 6408
195: ok 6409
195: ok 6410
195: ok 6411
195: ok 6412
195: ok 6413
195: ok 6414
195: ok 6415
195: ok 6416
195: ok 6417
195: ok 6418
195: ok 6419
195: ok 6420
195: ok 6421
195: ok 6422
195: ok 6423
195: ok 6424
195: ok 6425
195: ok 6426
195: ok 6427
195: ok 6428
195: ok 6429
195: ok 6430
195: ok 6431
195: ok 6432
195: ok 6433
195: ok 6434
195: ok 6435
195: ok 6436
195: ok 6437
195: ok 6438
195: ok 6439
195: ok 6440
195: ok 6441
195: ok 6442
195: ok 6443
195: ok 6444
195: ok 6445
195: ok 6446
195: ok 6447
195: ok 6448
195: ok 6449
195: ok 6450
195: ok 6451
195: ok 6452
195: ok 6453
195: ok 6454
195: ok 6455
195: ok 6456
195: ok 6457
195: ok 6458
195: ok 6459
195: ok 6460
195: ok 6461
195: ok 6462
195: ok 6463
195: ok 6464
195: ok 6465
195: ok 6466
195: ok 6467
195: ok 6468
195: ok 6469
195: ok 6470
195: ok 6471
195: ok 6472
195: ok 6473
195: ok 6474
195: ok 6475
195: ok 6476
195: ok 6477
195: ok 6478
195: ok 6479
195: ok 6480
195: ok 6481
195: ok 6482
195: ok 6483
195: ok 6484
195: ok 6485
195: ok 6486
195: ok 6487
195: ok 6488
195: ok 6489
195: ok 6490
195: ok 6491
195: ok 6492
195: ok 6493
195: ok 6494
195: ok 6495
195: ok 6496
195: ok 6497
195: ok 6498
195: ok 6499
195: ok 6500
195: ok 6501
195: ok 6502
195: ok 6503
195: ok 6504
195: ok 6505
195: ok 6506
195: ok 6507
195: ok 6508
195: ok 6509
195: ok 6510
195: ok 6511
195: ok 6512
195: ok 6513
195: ok 6514
195: ok 6515
195: ok 6516
195: ok 6517
195: ok 6518
195: ok 6519
195: ok 6520
195: ok 6521
195: ok 6522
195: ok 6523
195: ok 6524
195: ok 6525
195: ok 6526
195: ok 6527
195: ok 6528
195: ok 6529
195: ok 6530
195: ok 6531
195: ok 6532
195: ok 6533
195: ok 6534
195: ok 6535
195: ok 6536
195: ok 6537
195: ok 6538
195: ok 6539
195: ok 6540
195: ok 6541
195: ok 6542
195: ok 6543
195: ok 6544
195: ok 6545
195: ok 6546
195: ok 6547
195: ok 6548
195: ok 6549
195: ok 6550
195: ok 6551
195: ok 6552
195: ok 6553
195: ok 6554
195: ok 6555
195: ok 6556
195: ok 6557
195: ok 6558
195: ok 6559
195: ok 6560
195: ok 6561
195: ok 6562
195: ok 6563
195: ok 6564
195: ok 6565
195: ok 6566
195: ok 6567
195: ok 6568
195: ok 6569
195: ok 6570
195: ok 6571
195: ok 6572
195: ok 6573
195: ok 6574
195: ok 6575
195: ok 6576
195: ok 6577
195: ok 6578
195: ok 6579
195: ok 6580
195: ok 6581
195: ok 6582
195: ok 6583
195: ok 6584
195: ok 6585
195: ok 6586
195: ok 6587
195: ok 6588
195: ok 6589
195: ok 6590
195: ok 6591
195: ok 6592
195: ok 6593
195: ok 6594
195: ok 6595
195: ok 6596
195: ok 6597
195: ok 6598
195: ok 6599
195: ok 6600
195: ok 6601
195: ok 6602
195: ok 6603
195: ok 6604
195: ok 6605
195: ok 6606
195: ok 6607
195: ok 6608
195: ok 6609
195: ok 6610
195: ok 6611
195: ok 6612
195: ok 6613
195: ok 6614
195: ok 6615
195: ok 6616
195: ok 6617
195: ok 6618
195: ok 6619
195: ok 6620
195: ok 6621
195: ok 6622
195: ok 6623
195: ok 6624
195: ok 6625
195: ok 6626
195: ok 6627
195: ok 6628
195: ok 6629
195: ok 6630
195: ok 6631
195: ok 6632
195: ok 6633
195: ok 6634
195: ok 6635
195: ok 6636
195: ok 6637
195: ok 6638
195: ok 6639
195: ok 6640
195: ok 6641
195: ok 6642
195: ok 6643
195: ok 6644
195: ok 6645
195: ok 6646
195: ok 6647
195: ok 6648
195: ok 6649
195: ok 6650
195: ok 6651
195: ok 6652
195: ok 6653
195: ok 6654
195: ok 6655
195: ok 6656
195: ok 6657
195: ok 6658
195: ok 6659
195: ok 6660
195: ok 6661
195: ok 6662
195: ok 6663
195: ok 6664
195: ok 6665
195: ok 6666
195: ok 6667
195: ok 6668
195: ok 6669
195: ok 6670
195: ok 6671
195: ok 6672
195: ok 6673
195: ok 6674
195: ok 6675
195: ok 6676
195: ok 6677
195: ok 6678
195: ok 6679
195: ok 6680
195: ok 6681
195: ok 6682
195: ok 6683
195: ok 6684
195: ok 6685
195: ok 6686
195: ok 6687
195: ok 6688
195: ok 6689
195: ok 6690
195: ok 6691
195: ok 6692
195: ok 6693
195: ok 6694
195: ok 6695
195: ok 6696
195: ok 6697
195: ok 6698
195: ok 6699
195: ok 6700
195: ok 6701
195: ok 6702
195: ok 6703
195: ok 6704
195: ok 6705
195: ok 6706
195: ok 6707
195: ok 6708
195: ok 6709
195: ok 6710
195: ok 6711
195: ok 6712
195: ok 6713
195: ok 6714
195: ok 6715
195: ok 6716
195: ok 6717
195: ok 6718
195: ok 6719
195: ok 6720
195: ok 6721
195: ok 6722
195: ok 6723
195: ok 6724
195: ok 6725
195: ok 6726
195: ok 6727
195: ok 6728
195: ok 6729
195: ok 6730
195: ok 6731
195: ok 6732
195: ok 6733
195: ok 6734
195: ok 6735
195: ok 6736
195: ok 6737
195: ok 6738
195: ok 6739
195: ok 6740
195: ok 6741
195: ok 6742
195: ok 6743
195: ok 6744
195: ok 6745
195: ok 6746
195: ok 6747
195: ok 6748
195: ok 6749
195: ok 6750
195: ok 6751
195: ok 6752
195: ok 6753
195: ok 6754
195: ok 6755
195: ok 6756
195: ok 6757
195: ok 6758
195: ok 6759
195: ok 6760
195: ok 6761
195: ok 6762
195: ok 6763
195: ok 6764
195: ok 6765
195: ok 6766
195: ok 6767
195: ok 6768
195: ok 6769
195: ok 6770
195: ok 6771
195: ok 6772
195: ok 6773
195: ok 6774
195: ok 6775
195: ok 6776
195: ok 6777
195: ok 6778
195: ok 6779
195: ok 6780
195: ok 6781
195: ok 6782
195: ok 6783
195: ok 6784
195: ok 6785
195: ok 6786
195: ok 6787
195: ok 6788
195: ok 6789
195: ok 6790
195: ok 6791
195: ok 6792
195: ok 6793
195: ok 6794
195: ok 6795
195: ok 6796
195: ok 6797
195: ok 6798
195: ok 6799
195: ok 6800
195: ok 6801
195: ok 6802
195: ok 6803
195: ok 6804
195: ok 6805
195: ok 6806
195: ok 6807
195: ok 6808
195: ok 6809
195: ok 6810
195: ok 6811
195: ok 6812
195: ok 6813
195: ok 6814
195: ok 6815
195: ok 6816
195: ok 6817
195: ok 6818
195: ok 6819
195: ok 6820
195: ok 6821
195: ok 6822
195: ok 6823
195: ok 6824
195: ok 6825
195: ok 6826
195: ok 6827
195: ok 6828
195: ok 6829
195: ok 6830
195: ok 6831
195: ok 6832
195: ok 6833
195: ok 6834
195: ok 6835
195: ok 6836
195: ok 6837
195: ok 6838
195: ok 6839
195: ok 6840
195: ok 6841
195: ok 6842
195: ok 6843
195: ok 6844
195: ok 6845
195: ok 6846
195: ok 6847
195: ok 6848
195: ok 6849
195: ok 6850
195: ok 6851
195: ok 6852
195: ok 6853
195: ok 6854
195: ok 6855
195: ok 6856
195: ok 6857
195: ok 6858
195: ok 6859
195: ok 6860
195: ok 6861
195: ok 6862
195: ok 6863
195: ok 6864
195: ok 6865
195: ok 6866
195: ok 6867
195: ok 6868
195: ok 6869
195: ok 6870
195: ok 6871
195: ok 6872
195: ok 6873
195: ok 6874
195: ok 6875
195: ok 6876
195: ok 6877
195: ok 6878
195: ok 6879
195: ok 6880
195: ok 6881
195: ok 6882
195: ok 6883
195: ok 6884
195: ok 6885
195: ok 6886
195: ok 6887
195: ok 6888
195: ok 6889
195: ok 6890
195: ok 6891
195: ok 6892
195: ok 6893
195: ok 6894
195: ok 6895
195: ok 6896
195: ok 6897
195: ok 6898
195: ok 6899
195: ok 6900
195: ok 6901
195: ok 6902
195: ok 6903
195: ok 6904
195: ok 6905
195: ok 6906
195: ok 6907
195: ok 6908
195: ok 6909
195: ok 6910
195: ok 6911
195: ok 6912
195: ok 6913
195: ok 6914
195: ok 6915
195: ok 6916
195: ok 6917
195: ok 6918
195: ok 6919
195: ok 6920
195: ok 6921
195: ok 6922
195: ok 6923
195: ok 6924
195: ok 6925
195: ok 6926
195: ok 6927
195: ok 6928
195: ok 6929
195: ok 6930
195: ok 6931
195: ok 6932
195: ok 6933
195: ok 6934
195: ok 6935
195: ok 6936
195: ok 6937
195: ok 6938
195: ok 6939
195: ok 6940
195: ok 6941
195: ok 6942
195: ok 6943
195: ok 6944
195: ok 6945
195: ok 6946
195: ok 6947
195: ok 6948
195: ok 6949
195: ok 6950
195: ok 6951
195: ok 6952
195: ok 6953
195: ok 6954
195: ok 6955
195: ok 6956
195: ok 6957
195: ok 6958
195: ok 6959
195: ok 6960
195: ok 6961
195: ok 6962
195: ok 6963
195: ok 6964
195: ok 6965
195: ok 6966
195: ok 6967
195: ok 6968
195: ok 6969
195: ok 6970
195: ok 6971
195: ok 6972
195: ok 6973
195: ok 6974
195: ok 6975
195: ok 6976
195: ok 6977
195: ok 6978
195: ok 6979
195: ok 6980
195: ok 6981
195: ok 6982
195: ok 6983
195: ok 6984
195: ok 6985
195: ok 6986
195: ok 6987
195: ok 6988
195: ok 6989
195: ok 6990
195: ok 6991
195: ok 6992
195: ok 6993
195: ok 6994
195: ok 6995
195: ok 6996
195: ok 6997
195: ok 6998
195: ok 6999
195: ok 7000
195: ok 7001
195: ok 7002
195: ok 7003
195: ok 7004
195: ok 7005
195: ok 7006
195: ok 7007
195: ok 7008
195: ok 7009
195: ok 7010
195: ok 7011
195: ok 7012
195: ok 7013
195: ok 7014
195: ok 7015
195: ok 7016
195: ok 7017
195: ok 7018
195: ok 7019
195: ok 7020
195: ok 7021
195: ok 7022
195: ok 7023
195: ok 7024
195: ok 7025
195: ok 7026
195: ok 7027
195: ok 7028
195: ok 7029
195: ok 7030
195: ok 7031
195: ok 7032
195: ok 7033
195: ok 7034
195: ok 7035
195: ok 7036
195: ok 7037
195: ok 7038
195: ok 7039
195: ok 7040
195: ok 7041
195: ok 7042
195: ok 7043
195: ok 7044
195: ok 7045
195: ok 7046
195: ok 7047
195: ok 7048
195: ok 7049
195: ok 7050
195: ok 7051
195: ok 7052
195: ok 7053
195: ok 7054
195: ok 7055
195: ok 7056
195: ok 7057
195: ok 7058
195: ok 7059
195: ok 7060
195: ok 7061
195: ok 7062
195: ok 7063
195: ok 7064
195: ok 7065
195: ok 7066
195: ok 7067
195: ok 7068
195: ok 7069
195: ok 7070
195: ok 7071
195: ok 7072
195: ok 7073
195: ok 7074
195: ok 7075
195: ok 7076
195: ok 7077
195: ok 7078
195: ok 7079
195: ok 7080
195: ok 7081
195: ok 7082
195: ok 7083
195: ok 7084
195: ok 7085
195: ok 7086
195: ok 7087
195: ok 7088
195: ok 7089
195: ok 7090
195: ok 7091
195: ok 7092
195: ok 7093
195: ok 7094
195: ok 7095
195: ok 7096
195: ok 7097
195: ok 7098
195: ok 7099
195: ok 7100
195: ok 7101
195: ok 7102
195: ok 7103
195: ok 7104
195: ok 7105
195: ok 7106
195: ok 7107
195: ok 7108
195: ok 7109
195: ok 7110
195: ok 7111
195: ok 7112
195: ok 7113
195: ok 7114
195: ok 7115
195: ok 7116
195: ok 7117
195: ok 7118
195: ok 7119
195: ok 7120
195: ok 7121
195: ok 7122
195: ok 7123
195: ok 7124
195: ok 7125
195: ok 7126
195: ok 7127
195: ok 7128
195: ok 7129
195: ok 7130
195: ok 7131
195: ok 7132
195: ok 7133
195: ok 7134
195: ok 7135
195: ok 7136
195: ok 7137
195: ok 7138
195: ok 7139
195: ok 7140
195: ok 7141
195: ok 7142
195: ok 7143
195: ok 7144
195: ok 7145
195: ok 7146
195: ok 7147
195: ok 7148
195: ok 7149
195: ok 7150
195: ok 7151
195: ok 7152
195: ok 7153
195: ok 7154
195: ok 7155
195: ok 7156
195: ok 7157
195: ok 7158
195: ok 7159
195: ok 7160
195: ok 7161
195: ok 7162
195: ok 7163
195: ok 7164
195: ok 7165
195: ok 7166
195: ok 7167
195: ok 7168
195: ok 7169
195: ok 7170
195: ok 7171
195: ok 7172
195: ok 7173
195: ok 7174
195: ok 7175
195: ok 7176
195: ok 7177
195: ok 7178
195: ok 7179
195: ok 7180
195: ok 7181
195: ok 7182
195: ok 7183
195: ok 7184
195: ok 7185
195: ok 7186
195: ok 7187
195: ok 7188
195: ok 7189
195: ok 7190
195: ok 7191
195: ok 7192
195: ok 7193
195: ok 7194
195: ok 7195
195: ok 7196
195: ok 7197
195: ok 7198
195: ok 7199
195: ok 7200
195: ok 7201
195: ok 7202
195: ok 7203
195: ok 7204
195: ok 7205
195: ok 7206
195: ok 7207
195: ok 7208
195: ok 7209
195: ok 7210
195: ok 7211
195: ok 7212
195: ok 7213
195: ok 7214
195: ok 7215
195: ok 7216
195: ok 7217
195: ok 7218
195: ok 7219
195: ok 7220
195: ok 7221
195: ok 7222
195: ok 7223
195: ok 7224
195: ok 7225
195: ok 7226
195: ok 7227
195: ok 7228
195: ok 7229
195: ok 7230
195: ok 7231
195: ok 7232
195: ok 7233
195: ok 7234
195: ok 7235
195: ok 7236
195: ok 7237
195: ok 7238
195: ok 7239
195: ok 7240
195: ok 7241
195: ok 7242
195: ok 7243
195: ok 7244
195: ok 7245
195: ok 7246
195: ok 7247
195: ok 7248
195: ok 7249
195: ok 7250
195: ok 7251
195: ok 7252
195: ok 7253
195: ok 7254
195: ok 7255
195: ok 7256
195: ok 7257
195: ok 7258
195: ok 7259
195: ok 7260
195: ok 7261
195: ok 7262
195: ok 7263
195: ok 7264
195: ok 7265
195: ok 7266
195: ok 7267
195: ok 7268
195: ok 7269
195: ok 7270
195: ok 7271
195: ok 7272
195: ok 7273
195: ok 7274
195: ok 7275
195: ok 7276
195: ok 7277
195: ok 7278
195: ok 7279
195: ok 7280
195: ok 7281
195: ok 7282
195: ok 7283
195: ok 7284
195: ok 7285
195: ok 7286
195: ok 7287
195: ok 7288
195: ok 7289
195: ok 7290
195: ok 7291
195: ok 7292
195: ok 7293
195: ok 7294
195: ok 7295
195: ok 7296
195: ok 7297
195: ok 7298
195: ok 7299
195: ok 7300
195: ok 7301
195: ok 7302
195: ok 7303
195: ok 7304
195: ok 7305
195: ok 7306
195: ok 7307
195: ok 7308
195: ok 7309
195: ok 7310
195: ok 7311
195: ok 7312
195: ok 7313
195: ok 7314
195: ok 7315
195: ok 7316
195: ok 7317
195: ok 7318
195: ok 7319
195: ok 7320
195: ok 7321
195: ok 7322
195: ok 7323
195: ok 7324
195: ok 7325
195: ok 7326
195: ok 7327
195: ok 7328
195: ok 7329
195: ok 7330
195: ok 7331
195: ok 7332
195: ok 7333
195: ok 7334
195: ok 7335
195: ok 7336
195: ok 7337
195: ok 7338
195: ok 7339
195: ok 7340
195: ok 7341
195: ok 7342
195: ok 7343
195: ok 7344
195: ok 7345
195: ok 7346
195: ok 7347
195: ok 7348
195: ok 7349
195: ok 7350
195: ok 7351
195: ok 7352
195: ok 7353
195: ok 7354
195: ok 7355
195: ok 7356
195: ok 7357
195: ok 7358
195: ok 7359
195: ok 7360
195: ok 7361
195: ok 7362
195: ok 7363
195: ok 7364
195: ok 7365
195: ok 7366
195: ok 7367
195: ok 7368
195: ok 7369
195: ok 7370
195: ok 7371
195: ok 7372
195: ok 7373
195: ok 7374
195: ok 7375
195: ok 7376
195: ok 7377
195: ok 7378
195: ok 7379
195: ok 7380
195: ok 7381
195: ok 7382
195: ok 7383
195: ok 7384
195: ok 7385
195: ok 7386
195: ok 7387
195: ok 7388
195: ok 7389
195: ok 7390
195: ok 7391
195: ok 7392
195: ok 7393
195: ok 7394
195: ok 7395
195: ok 7396
195: ok 7397
195: ok 7398
195: ok 7399
195: ok 7400
195: ok 7401
195: ok 7402
195: ok 7403
195: ok 7404
195: ok 7405
195: ok 7406
195: ok 7407
195: ok 7408
195: ok 7409
195: ok 7410
195: ok 7411
195: ok 7412
195: ok 7413
195: ok 7414
195: ok 7415
195: ok 7416
195: ok 7417
195: ok 7418
195: ok 7419
195: ok 7420
195: ok 7421
195: ok 7422
195: ok 7423
195: ok 7424
195: ok 7425
195: ok 7426
195: ok 7427
195: ok 7428
195: ok 7429
195: ok 7430
195: ok 7431
195: ok 7432
195: ok 7433
195: ok 7434
195: ok 7435
195: ok 7436
195: ok 7437
195: ok 7438
195: ok 7439
195: ok 7440
195: ok 7441
195: ok 7442
195: ok 7443
195: ok 7444
195: ok 7445
195: ok 7446
195: ok 7447
195: ok 7448
195: ok 7449
195: ok 7450
195: ok 7451
195: ok 7452
195: ok 7453
195: ok 7454
195: ok 7455
195: ok 7456
195: ok 7457
195: ok 7458
195: ok 7459
195: ok 7460
195: ok 7461
195: ok 7462
195: ok 7463
195: ok 7464
195: ok 7465
195: ok 7466
195: ok 7467
195: ok 7468
195: ok 7469
195: ok 7470
195: ok 7471
195: ok 7472
195: ok 7473
195: ok 7474
195: ok 7475
195: ok 7476
195: ok 7477
195: ok 7478
195: ok 7479
195: ok 7480
195: ok 7481
195: ok 7482
195: ok 7483
195: ok 7484
195: ok 7485
195: ok 7486
195: ok 7487
195: ok 7488
195: ok 7489
195: ok 7490
195: ok 7491
195: ok 7492
195: ok 7493
195: ok 7494
195: ok 7495
195: ok 7496
195: ok 7497
195: ok 7498
195: ok 7499
195: ok 7500
195: ok 7501
195: ok 7502
195: ok 7503
195: ok 7504
195: ok 7505
195: ok 7506
195: ok 7507
195: ok 7508
195: ok 7509
195: ok 7510
195: ok 7511
195: ok 7512
195: ok 7513
195: ok 7514
195: ok 7515
195: ok 7516
195: ok 7517
195: ok 7518
195: ok 7519
195: ok 7520
195: ok 7521
195: ok 7522
195: ok 7523
195: ok 7524
195: ok 7525
195: ok 7526
195: ok 7527
195: ok 7528
195: ok 7529
195: ok 7530
195: ok 7531
195: ok 7532
195: ok 7533
195: ok 7534
195: ok 7535
195: ok 7536
195: ok 7537
195: ok 7538
195: ok 7539
195: ok 7540
195: ok 7541
195: ok 7542
195: ok 7543
195: ok 7544
195: ok 7545
195: ok 7546
195: ok 7547
195: ok 7548
195: ok 7549
195: ok 7550
195: ok 7551
195: ok 7552
195: ok 7553
195: ok 7554
195: ok 7555
195: ok 7556
195: ok 7557
195: ok 7558
195: ok 7559
195: ok 7560
195: ok 7561
195: ok 7562
195: ok 7563
195: ok 7564
195: ok 7565
195: ok 7566
195: ok 7567
195: ok 7568
195: ok 7569
195: ok 7570
195: ok 7571
195: ok 7572
195: ok 7573
195: ok 7574
195: ok 7575
195: ok 7576
195: ok 7577
195: ok 7578
195: ok 7579
195: ok 7580
195: ok 7581
195: ok 7582
195: ok 7583
195: ok 7584
195: ok 7585
195: ok 7586
195: ok 7587
195: ok 7588
195: ok 7589
195: ok 7590
195: ok 7591
195: ok 7592
195: ok 7593
195: ok 7594
195: ok 7595
195: ok 7596
195: ok 7597
195: ok 7598
195: ok 7599
195: ok 7600
195: ok 7601
195: ok 7602
195: ok 7603
195: ok 7604
195: ok 7605
195: ok 7606
195: ok 7607
195: ok 7608
195: ok 7609
195: ok 7610
195: ok 7611
195: ok 7612
195: ok 7613
195: ok 7614
195: ok 7615
195: ok 7616
195: ok 7617
195: ok 7618
195: ok 7619
195: ok 7620
195: ok 7621
195: ok 7622
195: ok 7623
195: ok 7624
195: ok 7625
195: ok 7626
195: ok 7627
195: ok 7628
195: ok 7629
195: ok 7630
195: ok 7631
195: ok 7632
195: ok 7633
195: ok 7634
195: ok 7635
195: ok 7636
195: ok 7637
195: ok 7638
195: ok 7639
195: ok 7640
195: ok 7641
195: ok 7642
195: ok 7643
195: ok 7644
195: ok 7645
195: ok 7646
195: ok 7647
195: ok 7648
195: ok 7649
195: ok 7650
195: ok 7651
195: ok 7652
195: ok 7653
195: ok 7654
195: ok 7655
195: ok 7656
195: ok 7657
195: ok 7658
195: ok 7659
195: ok 7660
195: ok 7661
195: ok 7662
195: ok 7663
195: ok 7664
195: ok 7665
195: ok 7666
195: ok 7667
195: ok 7668
195: ok 7669
195: ok 7670
195: ok 7671
195: ok 7672
195: ok 7673
195: ok 7674
195: ok 7675
195: ok 7676
195: ok 7677
195: ok 7678
195: ok 7679
195: ok 7680
195: ok 7681
195: ok 7682
195: ok 7683
195: ok 7684
195: ok 7685
195: ok 7686
195: ok 7687
195: ok 7688
195: ok 7689
195: ok 7690
195: ok 7691
195: ok 7692
195: ok 7693
195: ok 7694
195: ok 7695
195: ok 7696
195: ok 7697
195: ok 7698
195: ok 7699
195: ok 7700
195: ok 7701
195: ok 7702
195: ok 7703
195: ok 7704
195: ok 7705
195: ok 7706
195: ok 7707
195: ok 7708
195: ok 7709
195: ok 7710
195: ok 7711
195: ok 7712
195: ok 7713
195: ok 7714
195: ok 7715
195: ok 7716
195: ok 7717
195: ok 7718
195: ok 7719
195: ok 7720
195: ok 7721
195: ok 7722
195: ok 7723
195: ok 7724
195: ok 7725
195: ok 7726
195: ok 7727
195: ok 7728
195: ok 7729
195: ok 7730
195: ok 7731
195: ok 7732
195: ok 7733
195: ok 7734
195: ok 7735
195: ok 7736
195: ok 7737
195: ok 7738
195: ok 7739
195: ok 7740
195: ok 7741
195: ok 7742
195: ok 7743
195: ok 7744
195: ok 7745
195: ok 7746
195: ok 7747
195: ok 7748
195: ok 7749
195: ok 7750
195: ok 7751
195: ok 7752
195: ok 7753
195: ok 7754
195: ok 7755
195: ok 7756
195: ok 7757
195: ok 7758
195: ok 7759
195: ok 7760
195: ok 7761
195: ok 7762
195: ok 7763
195: ok 7764
195: ok 7765
195: ok 7766
195: ok 7767
195: ok 7768
195: ok 7769
195: ok 7770
195: ok 7771
195: ok 7772
195: ok 7773
195: ok 7774
195: ok 7775
195: ok 7776
195: ok 7777
195: ok 7778
195: ok 7779
195: ok 7780
195: ok 7781
195: ok 7782
195: ok 7783
195: ok 7784
195: ok 7785
195: ok 7786
195: ok 7787
195: ok 7788
195: ok 7789
195: ok 7790
195: ok 7791
195: ok 7792
195: ok 7793
195: ok 7794
195: ok 7795
195: ok 7796
195: ok 7797
195: ok 7798
195: ok 7799
195: ok 7800
195: ok 7801
195: ok 7802
195: ok 7803
195: ok 7804
195: ok 7805
195: ok 7806
195: ok 7807
195: ok 7808
195: ok 7809
195: ok 7810
195: ok 7811
195: ok 7812
195: ok 7813
195: ok 7814
195: ok 7815
195: ok 7816
195: ok 7817
195: ok 7818
195: ok 7819
195: ok 7820
195: ok 7821
195: ok 7822
195: ok 7823
195: ok 7824
195: ok 7825
195: ok 7826
195: ok 7827
195: ok 7828
195: ok 7829
195: ok 7830
195: ok 7831
195: ok 7832
195: ok 7833
195: ok 7834
195: ok 7835
195: ok 7836
195: ok 7837
195: ok 7838
195: ok 7839
195: ok 7840
195: ok 7841
195: ok 7842
195: ok 7843
195: ok 7844
195: ok 7845
195: ok 7846
195: ok 7847
195: ok 7848
195: ok 7849
195: ok 7850
195: ok 7851
195: ok 7852
195: ok 7853
195: ok 7854
195: ok 7855
195: ok 7856
195: ok 7857
195: ok 7858
195: ok 7859
195: ok 7860
195: ok 7861
195: ok 7862
195: ok 7863
195: ok 7864
195: ok 7865
195: ok 7866
195: ok 7867
195: ok 7868
195: ok 7869
195: ok 7870
195: ok 7871
195: ok 7872
195: ok 7873
195: ok 7874
195: ok 7875
195: ok 7876
195: ok 7877
195: ok 7878
195: ok 7879
195: ok 7880
195: ok 7881
195: ok 7882
195: ok 7883
195: ok 7884
195: ok 7885
195: ok 7886
195: ok 7887
195: ok 7888
195: ok 7889
195: ok 7890
195: ok 7891
195: ok 7892
195: ok 7893
195: ok 7894
195: ok 7895
195: ok 7896
195: ok 7897
195: ok 7898
195: ok 7899
195: ok 7900
195: ok 7901
195: ok 7902
195: ok 7903
195: ok 7904
195: ok 7905
195: ok 7906
195: ok 7907
195: ok 7908
195: ok 7909
195: ok 7910
195: ok 7911
195: ok 7912
195: ok 7913
195: ok 7914
195: ok 7915
195: ok 7916
195: ok 7917
195: ok 7918
195: ok 7919
195: ok 7920
195: ok 7921
195: ok 7922
195: ok 7923
195: ok 7924
195: ok 7925
195: ok 7926
195: ok 7927
195: ok 7928
195: ok 7929
195: ok 7930
195: ok 7931
195: ok 7932
195: ok 7933
195: ok 7934
195: ok 7935
195: ok 7936
195: ok 7937
195: ok 7938
195: ok 7939
195: ok 7940
195: ok 7941
195: ok 7942
195: ok 7943
195: ok 7944
195: ok 7945
195: ok 7946
195: ok 7947
195: ok 7948
195: ok 7949
195: ok 7950
195: ok 7951
195: ok 7952
195: ok 7953
195: ok 7954
195: ok 7955
195: ok 7956
195: ok 7957
195: ok 7958
195: ok 7959
195: ok 7960
195: ok 7961
195: ok 7962
195: ok 7963
195: ok 7964
195: ok 7965
195: ok 7966
195: ok 7967
195: ok 7968
195: ok 7969
195: ok 7970
195: ok 7971
195: ok 7972
195: ok 7973
195: ok 7974
195: ok 7975
195: ok 7976
195: ok 7977
195: ok 7978
195: ok 7979
195: ok 7980
195: ok 7981
195: ok 7982
195: ok 7983
195: ok 7984
195: ok 7985
195: ok 7986
195: ok 7987
195: ok 7988
195: ok 7989
195: ok 7990
195: ok 7991
195: ok 7992
195: ok 7993
195: ok 7994
195: ok 7995
195: ok 7996
195: ok 7997
195: ok 7998
195: ok 7999
195: ok 8000
195: ok 8001
195: ok 8002
195: ok 8003
195: ok 8004
195: ok 8005
195: ok 8006
195: ok 8007
195: ok 8008
195: ok 8009
195: ok 8010
195: ok 8011
195: ok 8012
195: ok 8013
195: ok 8014
195: ok 8015
195: ok 8016
195: ok 8017
195: ok 8018
195: ok 8019
195: ok 8020
195: ok 8021
195: ok 8022
195: ok 8023
195: ok 8024
195: ok 8025
195: ok 8026
195: ok 8027
195: ok 8028
195: ok 8029
195: ok 8030
195: ok 8031
195: ok 8032
195: ok 8033
195: ok 8034
195: ok 8035
195: ok 8036
195: ok 8037
195: ok 8038
195: ok 8039
195: ok 8040
195: ok 8041
195: ok 8042
195: ok 8043
195: ok 8044
195: ok 8045
195: ok 8046
195: ok 8047
195: ok 8048
195: ok 8049
195: ok 8050
195: ok 8051
195: ok 8052
195: ok 8053
195: ok 8054
195: ok 8055
195: ok 8056
195: ok 8057
195: ok 8058
195: ok 8059
195: ok 8060
195: ok 8061
195: ok 8062
195: ok 8063
195: ok 8064
195: ok 8065
195: ok 8066
195: ok 8067
195: ok 8068
195: ok 8069
195: ok 8070
195: ok 8071
195: ok 8072
195: ok 8073
195: ok 8074
195: ok 8075
195: ok 8076
195: ok 8077
195: ok 8078
195: ok 8079
195: ok 8080
195: ok 8081
195: ok 8082
195: ok 8083
195: ok 8084
195: ok 8085
195: ok 8086
195: ok 8087
195: ok 8088
195: ok 8089
195: ok 8090
195: ok 8091
195: ok 8092
195: ok 8093
195: ok 8094
195: ok 8095
195: ok 8096
195: ok 8097
195: ok 8098
195: ok 8099
195: ok 8100
195: ok 8101
195: ok 8102
195: ok 8103
195: ok 8104
195: ok 8105
195: ok 8106
195: ok 8107
195: ok 8108
195: ok 8109
195: ok 8110
195: ok 8111
195: ok 8112
195: ok 8113
195: ok 8114
195: ok 8115
195: ok 8116
195: ok 8117
195: ok 8118
195: ok 8119
195: ok 8120
195: ok 8121
195: ok 8122
195: ok 8123
195: ok 8124
195: ok 8125
195: ok 8126
195: ok 8127
195: ok 8128
195: ok 8129
195: ok 8130
195: ok 8131
195: ok 8132
195: ok 8133
195: ok 8134
195: ok 8135
195: ok 8136
195: ok 8137
195: ok 8138
195: ok 8139
195: ok 8140
195: ok 8141
195: ok 8142
195: ok 8143
195: ok 8144
195: ok 8145
195: ok 8146
195: ok 8147
195: ok 8148
195: ok 8149
195: ok 8150
195: ok 8151
195: ok 8152
195: ok 8153
195: ok 8154
195: ok 8155
195: ok 8156
195: ok 8157
195: ok 8158
195: ok 8159
195: ok 8160
195: ok 8161
195: ok 8162
195: ok 8163
195: ok 8164
195: ok 8165
195: ok 8166
195: ok 8167
195: ok 8168
195: ok 8169
195: ok 8170
195: ok 8171
195: ok 8172
195: ok 8173
195: ok 8174
195: ok 8175
195: ok 8176
195: ok 8177
195: ok 8178
195: ok 8179
195: ok 8180
195: ok 8181
195: ok 8182
195: ok 8183
195: ok 8184
195: ok 8185
195: ok 8186
195: ok 8187
195: ok 8188
195: ok 8189
195: ok 8190
195: ok 8191
195: ok 8192
195: ok 8193
195: ok 8194
195: ok 8195
195: ok 8196
195: ok 8197
195: ok 8198
195: ok 8199
195: ok 8200
195: ok 8201
195: ok 8202
195: ok 8203
195: ok 8204
195: ok 8205
195: ok 8206
195: ok 8207
195: ok 8208
195: ok 8209
195: ok 8210
195: ok 8211
195: ok 8212
195: ok 8213
195: ok 8214
195: ok 8215
195: ok 8216
195: ok 8217
195: ok 8218
195: ok 8219
195: ok 8220
195: ok 8221
195: ok 8222
195: ok 8223
195: ok 8224
195: ok 8225
195: ok 8226
195: ok 8227
195: ok 8228
195: ok 8229
195: ok 8230
195: ok 8231
195: ok 8232
195: ok 8233
195: ok 8234
195: ok 8235
195: ok 8236
195: ok 8237
195: ok 8238
195: ok 8239
195: ok 8240
195: ok 8241
195: ok 8242
195: ok 8243
195: ok 8244
195: ok 8245
195: ok 8246
195: ok 8247
195: ok 8248
195: ok 8249
195: ok 8250
195: ok 8251
195: ok 8252
195: ok 8253
195: ok 8254
195: ok 8255
195: ok 8256
195: ok 8257
195: ok 8258
195: ok 8259
195: ok 8260
195: ok 8261
195: ok 8262
195: ok 8263
195: ok 8264
195: ok 8265
195: ok 8266
195: ok 8267
195: ok 8268
195: ok 8269
195: ok 8270
195: ok 8271
195: ok 8272
195: ok 8273
195: ok 8274
195: ok 8275
195: ok 8276
195: ok 8277
195: ok 8278
195: ok 8279
195: ok 8280
195: ok 8281
195: ok 8282
195: ok 8283
195: ok 8284
195: ok 8285
195: ok 8286
195: ok 8287
195: ok 8288
195: ok 8289
195: ok 8290
195: ok 8291
195: ok 8292
195: ok 8293
195: ok 8294
195: ok 8295
195: ok 8296
195: ok 8297
195: ok 8298
195: ok 8299
195: ok 8300
195: ok 8301
195: ok 8302
195: ok 8303
195: ok 8304
195: ok 8305
195: ok 8306
195: ok 8307
195: ok 8308
195: ok 8309
195: ok 8310
195: ok 8311
195: ok 8312
195: ok 8313
195: ok 8314
195: ok 8315
195: ok 8316
195: ok 8317
195: ok 8318
195: ok 8319
195: ok 8320
195: ok 8321
195: ok 8322
195: ok 8323
195: ok 8324
195: ok 8325
195: ok 8326
195: ok 8327
195: ok 8328
195: ok 8329
195: ok 8330
195: ok 8331
195: ok 8332
195: ok 8333
195: ok 8334
195: ok 8335
195: ok 8336
195: ok 8337
195: ok 8338
195: ok 8339
195: ok 8340
195: ok 8341
195: ok 8342
195: ok 8343
195: ok 8344
195: ok 8345
195: ok 8346
195: ok 8347
195: ok 8348
195: ok 8349
195: ok 8350
195: ok 8351
195: ok 8352
195: ok 8353
195: ok 8354
195: ok 8355
195: ok 8356
195: ok 8357
195: ok 8358
195: ok 8359
195: ok 8360
195: ok 8361
195: ok 8362
195: ok 8363
195: ok 8364
195: ok 8365
195: ok 8366
195: ok 8367
195: ok 8368
195: ok 8369
195: ok 8370
195: ok 8371
195: ok 8372
195: ok 8373
195: ok 8374
195: ok 8375
195: ok 8376
195: ok 8377
195: ok 8378
195: ok 8379
195: ok 8380
195: ok 8381
195: ok 8382
195: ok 8383
195: ok 8384
195: ok 8385
195: ok 8386
195: ok 8387
195: ok 8388
195: ok 8389
195: ok 8390
195: ok 8391
195: ok 8392
195: ok 8393
195: ok 8394
195: ok 8395
195: ok 8396
195: ok 8397
195: ok 8398
195: ok 8399
195: ok 8400
195: ok 8401
195: ok 8402
195: ok 8403
195: ok 8404
195: ok 8405
195: ok 8406
195: ok 8407
195: ok 8408
195: ok 8409
195: ok 8410
195: ok 8411
195: ok 8412
195: ok 8413
195: ok 8414
195: ok 8415
195: ok 8416
195: ok 8417
195: ok 8418
195: ok 8419
195: ok 8420
195: ok 8421
195: ok 8422
195: ok 8423
195: ok 8424
195: ok 8425
195: ok 8426
195: ok 8427
195: ok 8428
195: ok 8429
195: ok 8430
195: ok 8431
195: ok 8432
195: ok 8433
195: ok 8434
195: ok 8435
195: ok 8436
195: ok 8437
195: ok 8438
195: ok 8439
195: ok 8440
195: ok 8441
195: ok 8442
195: ok 8443
195: ok 8444
195: ok 8445
195: ok 8446
195: ok 8447
195: ok 8448
195: ok 8449
195: ok 8450
195: ok 8451
195: ok 8452
195: ok 8453
195: ok 8454
195: ok 8455
195: ok 8456
195: ok 8457
195: ok 8458
195: ok 8459
195: ok 8460
195: ok 8461
195: ok 8462
195: ok 8463
195: ok 8464
195: ok 8465
195: ok 8466
195: ok 8467
195: ok 8468
195: ok 8469
195: ok 8470
195: ok 8471
195: ok 8472
195: ok 8473
195: ok 8474
195: ok 8475
195: ok 8476
195: ok 8477
195: ok 8478
195: ok 8479
195: ok 8480
195: ok 8481
195: ok 8482
195: ok 8483
195: ok 8484
195: ok 8485
195: ok 8486
195: ok 8487
195: ok 8488
195: ok 8489
195: ok 8490
195: ok 8491
195: ok 8492
195: ok 8493
195: ok 8494
195: ok 8495
195: ok 8496
195: ok 8497
195: ok 8498
195: ok 8499
195: ok 8500
195: ok 8501
195: ok 8502
195: ok 8503
195: ok 8504
195: ok 8505
195: ok 8506
195: ok 8507
195: ok 8508
195: ok 8509
195: ok 8510
195: ok 8511
195: ok 8512
195: ok 8513
195: ok 8514
195: ok 8515
195: ok 8516
195: ok 8517
195: ok 8518
195: ok 8519
195: ok 8520
195: ok 8521
195: ok 8522
195: ok 8523
195: ok 8524
195: ok 8525
195: ok 8526
195: ok 8527
195: ok 8528
195: ok 8529
195: ok 8530
195: ok 8531
195: ok 8532
195: ok 8533
195: ok 8534
195: ok 8535
195: ok 8536
195: ok 8537
195: ok 8538
195: ok 8539
195: ok 8540
195: ok 8541
195: ok 8542
195: ok 8543
195: ok 8544
195: ok 8545
195: ok 8546
195: ok 8547
195: ok 8548
195: ok 8549
195: ok 8550
195: ok 8551
195: ok 8552
195: ok 8553
195: ok 8554
195: ok 8555
195: ok 8556
195: ok 8557
195: ok 8558
195: ok 8559
195: ok 8560
195: ok 8561
195: ok 8562
195: ok 8563
195: ok 8564
195: ok 8565
195: ok 8566
195: ok 8567
195: ok 8568
195: ok 8569
195: ok 8570
195: ok 8571
195: ok 8572
195: ok 8573
195: ok 8574
195: ok 8575
195: ok 8576
195: ok 8577
195: ok 8578
195: ok 8579
195: ok 8580
195: ok 8581
195: ok 8582
195: ok 8583
195: ok 8584
195: ok 8585
195: ok 8586
195: ok 8587
195: ok 8588
195: ok 8589
195: ok 8590
195: ok 8591
195: ok 8592
195: ok 8593
195: ok 8594
195: ok 8595
195: ok 8596
195: ok 8597
195: ok 8598
195: ok 8599
195: ok 8600
195: ok 8601
195: ok 8602
195: ok 8603
195: ok 8604
195: ok 8605
195: ok 8606
195: ok 8607
195: ok 8608
195: ok 8609
195: ok 8610
195: ok 8611
195: ok 8612
195: ok 8613
195: ok 8614
195: ok 8615
195: ok 8616
195: ok 8617
195: ok 8618
195: ok 8619
195: ok 8620
195: ok 8621
195: ok 8622
195: ok 8623
195: ok 8624
195: ok 8625
195: ok 8626
195: ok 8627
195: ok 8628
195: ok 8629
195: ok 8630
195: ok 8631
195: ok 8632
195: ok 8633
195: ok 8634
195: ok 8635
195: ok 8636
195: ok 8637
195: ok 8638
195: ok 8639
195: ok 8640
195: ok 8641
195: ok 8642
195: ok 8643
195: ok 8644
195: ok 8645
195: ok 8646
195: ok 8647
195: ok 8648
195: ok 8649
195: ok 8650
195: ok 8651
195: ok 8652
195: ok 8653
195: ok 8654
195: ok 8655
195: ok 8656
195: ok 8657
195: ok 8658
195: ok 8659
195: ok 8660
195: ok 8661
195: ok 8662
195: ok 8663
195: ok 8664
195: ok 8665
195: ok 8666
195: ok 8667
195: ok 8668
195: ok 8669
195: ok 8670
195: ok 8671
195: ok 8672
195: ok 8673
195: ok 8674
195: ok 8675
195: ok 8676
195: ok 8677
195: ok 8678
195: ok 8679
195: ok 8680
195: ok 8681
195: ok 8682
195: ok 8683
195: ok 8684
195: ok 8685
195: ok 8686
195: ok 8687
195: ok 8688
195: ok 8689
195: ok 8690
195: ok 8691
195: ok 8692
195: ok 8693
195: ok 8694
195: ok 8695
195: ok 8696
195: ok 8697
195: ok 8698
195: ok 8699
195: ok 8700
195: ok 8701
195: ok 8702
195: ok 8703
195: ok 8704
195: ok 8705
195: ok 8706
195: ok 8707
195: ok 8708
195: ok 8709
195: ok 8710
195: ok 8711
195: ok 8712
195: ok 8713
195: ok 8714
195: ok 8715
195: ok 8716
195: ok 8717
195: ok 8718
195: ok 8719
195: ok 8720
195: ok 8721
195: ok 8722
195: ok 8723
195: ok 8724
195: ok 8725
195: ok 8726
195: ok 8727
195: ok 8728
195: ok 8729
195: ok 8730
195: ok 8731
195: ok 8732
195: ok 8733
195: ok 8734
195: ok 8735
195: ok 8736
195: ok 8737
195: ok 8738
195: ok 8739
195: ok 8740
195: ok 8741
195: ok 8742
195: ok 8743
195: ok 8744
195: ok 8745
195: ok 8746
195: ok 8747
195: ok 8748
195: ok 8749
195: ok 8750
195: ok 8751
195: ok 8752
195: ok 8753
195: ok 8754
195: ok 8755
195: ok 8756
195: ok 8757
195: ok 8758
195: ok 8759
195: ok 8760
195: ok 8761
195: ok 8762
195: ok 8763
195: ok 8764
195: ok 8765
195: ok 8766
195: ok 8767
195: ok 8768
195: ok 8769
195: ok 8770
195: ok 8771
195: ok 8772
195: ok 8773
195: ok 8774
195: ok 8775
195: ok 8776
195: ok 8777
195: ok 8778
195: ok 8779
195: ok 8780
195: ok 8781
195: ok 8782
195: ok 8783
195: ok 8784
195: ok 8785
195: ok 8786
195: ok 8787
195: ok 8788
195: ok 8789
195: ok 8790
195: ok 8791
195: ok 8792
195: ok 8793
195: ok 8794
195: ok 8795
195: ok 8796
195: ok 8797
195: ok 8798
195: ok 8799
195: ok 8800
195: ok 8801
195: ok 8802
195: ok 8803
195: ok 8804
195: ok 8805
195: ok 8806
195: ok 8807
195: ok 8808
195: ok 8809
195: ok 8810
195: ok 8811
195: ok 8812
195: ok 8813
195: ok 8814
195: ok 8815
195: ok 8816
195: ok 8817
195: ok 8818
195: ok 8819
195: ok 8820
195: ok 8821
195: ok 8822
195: ok 8823
195: ok 8824
195: ok 8825
195: ok 8826
195: ok 8827
195: ok 8828
195: ok 8829
195: ok 8830
195: ok 8831
195: ok 8832
195: ok 8833
195: ok 8834
195: ok 8835
195: ok 8836
195: ok 8837
195: ok 8838
195: ok 8839
195: ok 8840
195: ok 8841
195: ok 8842
195: ok 8843
195: ok 8844
195: ok 8845
195: ok 8846
195: ok 8847
195: ok 8848
195: ok 8849
195: ok 8850
195: ok 8851
195: ok 8852
195: ok 8853
195: ok 8854
195: ok 8855
195: ok 8856
195: ok 8857
195: ok 8858
195: ok 8859
195: ok 8860
195: ok 8861
195: ok 8862
195: ok 8863
195: ok 8864
195: ok 8865
195: ok 8866
195: ok 8867
195: ok 8868
195: ok 8869
195: ok 8870
195: ok 8871
195: ok 8872
195: ok 8873
195: ok 8874
195: ok 8875
195: ok 8876
195: ok 8877
195: ok 8878
195: ok 8879
195: ok 8880
195: ok 8881
195: ok 8882
195: ok 8883
195: ok 8884
195: ok 8885
195: ok 8886
195: ok 8887
195: ok 8888
195: ok 8889
195: ok 8890
195: ok 8891
195: ok 8892
195: ok 8893
195: ok 8894
195: ok 8895
195: ok 8896
195: ok 8897
195: ok 8898
195: ok 8899
195: ok 8900
195: ok 8901
195: ok 8902
195: ok 8903
195: ok 8904
195: ok 8905
195: ok 8906
195: ok 8907
195: ok 8908
195: ok 8909
195: ok 8910
195: ok 8911
195: ok 8912
195: ok 8913
195: ok 8914
195: ok 8915
195: ok 8916
195: ok 8917
195: ok 8918
195: ok 8919
195: ok 8920
195: ok 8921
195: ok 8922
195: ok 8923
195: ok 8924
195: ok 8925
195: ok 8926
195: ok 8927
195: ok 8928
195: ok 8929
195: ok 8930
195: ok 8931
195: ok 8932
195: ok 8933
195: ok 8934
195: ok 8935
195: ok 8936
195: ok 8937
195: ok 8938
195: ok 8939
195: ok 8940
195: ok 8941
195: ok 8942
195: ok 8943
195: ok 8944
195: ok 8945
195: ok 8946
195: ok 8947
195: ok 8948
195: ok 8949
195: ok 8950
195: ok 8951
195: ok 8952
195: ok 8953
195: ok 8954
195: ok 8955
195: ok 8956
195: ok 8957
195: ok 8958
195: ok 8959
195: ok 8960
195: ok 8961
195: ok 8962
195: ok 8963
195: ok 8964
195: ok 8965
195: ok 8966
195: ok 8967
195: ok 8968
195: ok 8969
195: ok 8970
195: ok 8971
195: ok 8972
195: ok 8973
195: ok 8974
195: ok 8975
195: ok 8976
195: ok 8977
195: ok 8978
195: ok 8979
195: ok 8980
195: ok 8981
195: ok 8982
195: ok 8983
195: ok 8984
195: ok 8985
195: ok 8986
195: ok 8987
195: ok 8988
195: ok 8989
195: ok 8990
195: ok 8991
195: ok 8992
195: ok 8993
195: ok 8994
195: ok 8995
195: ok 8996
195: ok 8997
195: ok 8998
195: ok 8999
195: ok 9000
195: ok 9001
195: ok 9002
195: ok 9003
195: ok 9004
195: ok 9005
195: ok 9006
195: ok 9007
195: ok 9008
195: ok 9009
195: ok 9010
195: ok 9011
195: ok 9012
195: ok 9013
195: ok 9014
195: ok 9015
195: ok 9016
195: ok 9017
195: ok 9018
195: ok 9019
195: ok 9020
195: ok 9021
195: ok 9022
195: ok 9023
195: ok 9024
195: ok 9025
195: ok 9026
195: ok 9027
195: ok 9028
195: ok 9029
195: ok 9030
195: ok 9031
195: ok 9032
195: ok 9033
195: ok 9034
195: ok 9035
195: ok 9036
195: ok 9037
195: ok 9038
195: ok 9039
195: ok 9040
195: ok 9041
195: ok 9042
195: ok 9043
195: ok 9044
195: ok 9045
195: ok 9046
195: ok 9047
195: ok 9048
195: ok 9049
195: ok 9050
195: ok 9051
195: ok 9052
195: ok 9053
195: ok 9054
195: ok 9055
195: ok 9056
195: ok 9057
195: ok 9058
195: ok 9059
195: ok 9060
195: ok 9061
195: ok 9062
195: ok 9063
195: ok 9064
195: ok 9065
195: ok 9066
195: ok 9067
195: ok 9068
195: ok 9069
195: ok 9070
195: ok 9071
195: ok 9072
195: ok 9073
195: ok 9074
195: ok 9075
195: ok 9076
195: ok 9077
195: ok 9078
195: ok 9079
195: ok 9080
195: ok 9081
195: ok 9082
195: ok 9083
195: ok 9084
195: ok 9085
195: ok 9086
195: ok 9087
195: ok 9088
195: ok 9089
195: ok 9090
195: ok 9091
195: ok 9092
195: ok 9093
195: ok 9094
195: ok 9095
195: ok 9096
195: ok 9097
195: ok 9098
195: ok 9099
195: ok 9100
195: ok 9101
195: ok 9102
195: ok 9103
195: ok 9104
195: ok 9105
195: ok 9106
195: ok 9107
195: ok 9108
195: ok 9109
195: ok 9110
195: ok 9111
195: ok 9112
195: ok 9113
195: ok 9114
195: ok 9115
195: ok 9116
195: ok 9117
195: ok 9118
195: ok 9119
195: ok 9120
195: ok 9121
195: ok 9122
195: ok 9123
195: ok 9124
195: ok 9125
195: ok 9126
195: ok 9127
195: ok 9128
195: ok 9129
195: ok 9130
195: ok 9131
195: ok 9132
195: ok 9133
195: ok 9134
195: ok 9135
195: ok 9136
195: ok 9137
195: ok 9138
195: ok 9139
195: ok 9140
195: ok 9141
195: ok 9142
195: ok 9143
195: ok 9144
195: ok 9145
195: ok 9146
195: ok 9147
195: ok 9148
195: ok 9149
195: ok 9150
195: ok 9151
195: ok 9152
195: ok 9153
195: ok 9154
195: ok 9155
195: ok 9156
195: ok 9157
195: ok 9158
195: ok 9159
195: ok 9160
195: ok 9161
195: ok 9162
195: ok 9163
195: ok 9164
195: ok 9165
195: ok 9166
195: ok 9167
195: ok 9168
195: ok 9169
195: ok 9170
195: ok 9171
195: ok 9172
195: ok 9173
195: ok 9174
195: ok 9175
195: ok 9176
195: ok 9177
195: ok 9178
195: ok 9179
195: ok 9180
195: ok 9181
195: ok 9182
195: ok 9183
195: ok 9184
195: ok 9185
195: ok 9186
195: ok 9187
195: ok 9188
195: ok 9189
195: ok 9190
195: ok 9191
195: ok 9192
195: ok 9193
195: ok 9194
195: ok 9195
195: ok 9196
195: ok 9197
195: ok 9198
195: ok 9199
195: ok 9200
195: ok 9201
195: ok 9202
195: ok 9203
195: ok 9204
195: ok 9205
195: ok 9206
195: ok 9207
195: ok 9208
195: ok 9209
195: ok 9210
195: ok 9211
195: ok 9212
195: ok 9213
195: ok 9214
195: ok 9215
195: ok 9216
195: ok 9217
195: ok 9218
195: ok 9219
195: ok 9220
195: ok 9221
195: ok 9222
195: ok 9223
195: ok 9224
195: ok 9225
195: ok 9226
195: ok 9227
195: ok 9228
195: ok 9229
195: ok 9230
195: ok 9231
195: ok 9232
195: ok 9233
195: ok 9234
195: ok 9235
195: ok 9236
195: ok 9237
195: ok 9238
195: ok 9239
195: ok 9240
195: ok 9241
195: ok 9242
195: ok 9243
195: ok 9244
195: ok 9245
195: ok 9246
195: ok 9247
195: ok 9248
195: ok 9249
195: ok 9250
195: ok 9251
195: ok 9252
195: ok 9253
195: ok 9254
195: ok 9255
195: ok 9256
195: ok 9257
195: ok 9258
195: ok 9259
195: ok 9260
195: ok 9261
195: ok 9262
195: ok 9263
195: ok 9264
195: ok 9265
195: ok 9266
195: ok 9267
195: ok 9268
195: ok 9269
195: ok 9270
195: ok 9271
195: ok 9272
195: ok 9273
195: ok 9274
195: ok 9275
195: ok 9276
195: ok 9277
195: ok 9278
195: ok 9279
195: ok 9280
195: ok 9281
195: ok 9282
195: ok 9283
195: ok 9284
195: ok 9285
195: ok 9286
195: ok 9287
195: ok 9288
195: ok 9289
195: ok 9290
195: ok 9291
195: ok 9292
195: ok 9293
195: ok 9294
195: ok 9295
195: ok 9296
195: ok 9297
195: ok 9298
195: ok 9299
195: ok 9300
195: ok 9301
195: ok 9302
195: ok 9303
195: ok 9304
195: ok 9305
195: ok 9306
195: ok 9307
195: ok 9308
195: ok 9309
195: ok 9310
195: ok 9311
195: ok 9312
195: ok 9313
195: ok 9314
195: ok 9315
195: ok 9316
195: ok 9317
195: ok 9318
195: ok 9319
195: ok 9320
195: ok 9321
195: ok 9322
195: ok 9323
195: ok 9324
195: ok 9325
195: ok 9326
195: ok 9327
195: ok 9328
195: ok 9329
195: ok 9330
195: ok 9331
195: ok 9332
195: ok 9333
195: ok 9334
195: ok 9335
195: ok 9336
195: ok 9337
195: ok 9338
195: ok 9339
195: ok 9340
195: ok 9341
195: ok 9342
195: ok 9343
195: ok 9344
195: ok 9345
195: ok 9346
195: ok 9347
195: ok 9348
195: ok 9349
195: ok 9350
195: ok 9351
195: ok 9352
195: ok 9353
195: ok 9354
195: ok 9355
195: ok 9356
195: ok 9357
195: ok 9358
195: ok 9359
195: ok 9360
195: ok 9361
195: ok 9362
195: ok 9363
195: ok 9364
195: ok 9365
195: ok 9366
195: ok 9367
195: ok 9368
195: ok 9369
195: ok 9370
195: ok 9371
195: ok 9372
195: ok 9373
195: ok 9374
195: ok 9375
195: ok 9376
195: ok 9377
195: ok 9378
195: ok 9379
195: ok 9380
195: ok 9381
195: ok 9382
195: ok 9383
195: ok 9384
195: ok 9385
195: ok 9386
195: ok 9387
195: ok 9388
195: ok 9389
195: ok 9390
195: ok 9391
195: ok 9392
195: ok 9393
195: ok 9394
195: ok 9395
195: ok 9396
195: ok 9397
195: ok 9398
195: ok 9399
195: ok 9400
195: ok 9401
195: ok 9402
195: ok 9403
195: ok 9404
195: ok 9405
195: ok 9406
195: ok 9407
195: ok 9408
195: ok 9409
195: ok 9410
195: ok 9411
195: ok 9412
195: ok 9413
195: ok 9414
195: ok 9415
195: ok 9416
195: ok 9417
195: ok 9418
195: ok 9419
195: ok 9420
195: ok 9421
195: ok 9422
195: ok 9423
195: ok 9424
195: ok 9425
195: ok 9426
195: ok 9427
195: ok 9428
195: ok 9429
195: ok 9430
195: ok 9431
195: ok 9432
195: ok 9433
195: ok 9434
195: ok 9435
195: ok 9436
195: ok 9437
195: ok 9438
195: ok 9439
195: ok 9440
195: ok 9441
195: ok 9442
195: ok 9443
195: ok 9444
195: ok 9445
195: ok 9446
195: ok 9447
195: ok 9448
195: ok 9449
195: ok 9450
195: ok 9451
195: ok 9452
195: ok 9453
195: ok 9454
195: ok 9455
195: ok 9456
195: ok 9457
195: ok 9458
195: ok 9459
195: ok 9460
195: ok 9461
195: ok 9462
195: ok 9463
195: ok 9464
195: ok 9465
195: ok 9466
195: ok 9467
195: ok 9468
195: ok 9469
195: ok 9470
195: ok 9471
195: ok 9472
195: ok 9473
195: ok 9474
195: ok 9475
195: ok 9476
195: ok 9477
195: ok 9478
195: ok 9479
195: ok 9480
195: ok 9481
195: ok 9482
195: ok 9483
195: ok 9484
195: ok 9485
195: ok 9486
195: ok 9487
195: ok 9488
195: ok 9489
195: ok 9490
195: ok 9491
195: ok 9492
195: ok 9493
195: ok 9494
195: ok 9495
195: ok 9496
195: ok 9497
195: ok 9498
195: ok 9499
195: ok 9500
195: ok 9501
195: ok 9502
195: ok 9503
195: ok 9504
195: ok 9505
195: ok 9506
195: ok 9507
195: ok 9508
195: ok 9509
195: ok 9510
195: ok 9511
195: ok 9512
195: ok 9513
195: ok 9514
195: ok 9515
195: ok 9516
195: ok 9517
195: ok 9518
195: ok 9519
195: ok 9520
195: ok 9521
195: ok 9522
195: ok 9523
195: ok 9524
195: ok 9525
195: ok 9526
195: ok 9527
195: ok 9528
195: ok 9529
195: ok 9530
195: ok 9531
195: ok 9532
195: ok 9533
195: ok 9534
195: ok 9535
195: ok 9536
195: ok 9537
195: ok 9538
195: ok 9539
195: ok 9540
195: ok 9541
195: ok 9542
195: ok 9543
195: ok 9544
195: ok 9545
195: ok 9546
195: ok 9547
195: ok 9548
195: ok 9549
195: ok 9550
195: ok 9551
195: ok 9552
195: ok 9553
195: ok 9554
195: ok 9555
195: ok 9556
195: ok 9557
195: ok 9558
195: ok 9559
195: ok 9560
195: ok 9561
195: ok 9562
195: ok 9563
195: ok 9564
195: ok 9565
195: ok 9566
195: ok 9567
195: ok 9568
195: ok 9569
195: ok 9570
195: ok 9571
195: ok 9572
195: ok 9573
195: ok 9574
195: ok 9575
195: ok 9576
195: ok 9577
195: ok 9578
195: ok 9579
195: ok 9580
195: ok 9581
195: ok 9582
195: ok 9583
195: ok 9584
195: ok 9585
195: ok 9586
195: ok 9587
195: ok 9588
195: ok 9589
195: ok 9590
195: ok 9591
195: ok 9592
195: ok 9593
195: ok 9594
195: ok 9595
195: ok 9596
195: ok 9597
195: ok 9598
195: ok 9599
195: ok 9600
195: ok 9601
195: ok 9602
195: ok 9603
195: ok 9604
195: ok 9605
195: ok 9606
195: ok 9607
195: ok 9608
195: ok 9609
195: ok 9610
195: ok 9611
195: ok 9612
195: ok 9613
195: ok 9614
195: ok 9615
195: ok 9616
195: ok 9617
195: ok 9618
195: ok 9619
195: ok 9620
195: ok 9621
195: ok 9622
195: ok 9623
195: ok 9624
195: ok 9625
195: ok 9626
195: ok 9627
195: ok 9628
195: ok 9629
195: ok 9630
195: ok 9631
195: ok 9632
195: ok 9633
195: ok 9634
195: ok 9635
195: ok 9636
195: ok 9637
195: ok 9638
195: ok 9639
195: ok 9640
195: ok 9641
195: ok 9642
195: ok 9643
195: ok 9644
195: ok 9645
195: ok 9646
195: ok 9647
195: ok 9648
195: ok 9649
195: ok 9650
195: ok 9651
195: ok 9652
195: ok 9653
195: ok 9654
195: ok 9655
195: ok 9656
195: ok 9657
195: ok 9658
195: ok 9659
195: ok 9660
195: ok 9661
195: ok 9662
195: ok 9663
195: ok 9664
195: ok 9665
195: ok 9666
195: ok 9667
195: ok 9668
195: ok 9669
195: ok 9670
195: ok 9671
195: ok 9672
195: ok 9673
195: ok 9674
195: ok 9675
195: ok 9676
195: ok 9677
195: ok 9678
195: ok 9679
195: ok 9680
195: ok 9681
195: ok 9682
195: ok 9683
195: ok 9684
195: ok 9685
195: ok 9686
195: ok 9687
195: ok 9688
195: ok 9689
195: ok 9690
195: ok 9691
195: ok 9692
195: ok 9693
195: ok 9694
195: ok 9695
195: ok 9696
195: ok 9697
195: ok 9698
195: ok 9699
195: ok 9700
195: ok 9701
195: ok 9702
195: ok 9703
195: ok 9704
195: ok 9705
195: ok 9706
195: ok 9707
195: ok 9708
195: ok 9709
195: ok 9710
195: ok 9711
195: ok 9712
195: ok 9713
195: ok 9714
195: ok 9715
195: ok 9716
195: ok 9717
195: ok 9718
195: ok 9719
195: ok 9720
195: ok 9721
195: ok 9722
195: ok 9723
195: ok 9724
195: ok 9725
195: ok 9726
195: ok 9727
195: ok 9728
195: ok 9729
195: ok 9730
195: ok 9731
195: ok 9732
195: ok 9733
195: ok 9734
195: ok 9735
195: ok 9736
195: ok 9737
195: ok 9738
195: ok 9739
195: ok 9740
195: ok 9741
195: ok 9742
195: ok 9743
195: ok 9744
195: ok 9745
195: ok 9746
195: ok 9747
195: ok 9748
195: ok 9749
195: ok 9750
195: ok 9751
195: ok 9752
195: ok 9753
195: ok 9754
195: ok 9755
195: ok 9756
195: ok 9757
195: ok 9758
195: ok 9759
195: ok 9760
195: ok 9761
195: ok 9762
195: ok 9763
195: ok 9764
195: ok 9765
195: ok 9766
195: ok 9767
195: ok 9768
195: ok 9769
195: ok 9770
195: ok 9771
195: ok 9772
195: ok 9773
195: ok 9774
195: ok 9775
195: ok 9776
195: ok 9777
195: ok 9778
195: ok 9779
195: ok 9780
195: ok 9781
195: ok 9782
195: ok 9783
195: ok 9784
195: ok 9785
195: ok 9786
195: ok 9787
195: ok 9788
195: ok 9789
195: ok 9790
195: ok 9791
195: ok 9792
195: ok 9793
195: ok 9794
195: ok 9795
195: ok 9796
195: ok 9797
195: ok 9798
195: ok 9799
195: ok 9800
195: ok 9801
195: ok 9802
195: ok 9803
195: ok 9804
195: ok 9805
195: ok 9806
195: ok 9807
195: ok 9808
195: ok 9809
195: ok 9810
195: ok 9811
195: ok 9812
195: ok 9813
195: ok 9814
195: ok 9815
195: ok 9816
195: ok 9817
195: ok 9818
195: ok 9819
195: ok 9820
195: ok 9821
195: ok 9822
195: ok 9823
195: ok 9824
195: ok 9825
195: ok 9826
195: ok 9827
195: ok 9828
195: ok 9829
195: ok 9830
195: ok 9831
195: ok 9832
195: ok 9833
195: ok 9834
195: ok 9835
195: ok 9836
195: ok 9837
195: ok 9838
195: ok 9839
195: ok 9840
195: ok 9841
195: ok 9842
195: ok 9843
195: ok 9844
195: ok 9845
195: ok 9846
195: ok 9847
195: ok 9848
195: ok 9849
195: ok 9850
195: ok 9851
195: ok 9852
195: ok 9853
195: ok 9854
195: ok 9855
195: ok 9856
195: ok 9857
195: ok 9858
195: ok 9859
195: ok 9860
195: ok 9861
195: ok 9862
195: ok 9863
195: ok 9864
195: ok 9865
195: ok 9866
195: ok 9867
195: ok 9868
195: ok 9869
195: ok 9870
195: ok 9871
195: ok 9872
195: ok 9873
195: ok 9874
195: ok 9875
195: ok 9876
195: ok 9877
195: ok 9878
195: ok 9879
195: ok 9880
195: ok 9881
195: ok 9882
195: ok 9883
195: ok 9884
195: ok 9885
195: ok 9886
195: ok 9887
195: ok 9888
195: ok 9889
195: ok 9890
195: ok 9891
195: ok 9892
195: ok 9893
195: ok 9894
195: ok 9895
195: ok 9896
195: ok 9897
195: ok 9898
195: ok 9899
195: ok 9900
195: ok 9901
195: ok 9902
195: ok 9903
195: ok 9904
195: ok 9905
195: ok 9906
195: ok 9907
195: ok 9908
195: ok 9909
195: ok 9910
195: ok 9911
195: ok 9912
195: ok 9913
195: ok 9914
195: ok 9915
195: ok 9916
195: ok 9917
195: ok 9918
195: ok 9919
195: ok 9920
195: ok 9921
195: ok 9922
195: ok 9923
195: ok 9924
195: ok 9925
195: ok 9926
195: ok 9927
195: ok 9928
195: ok 9929
195: ok 9930
195: ok 9931
195: ok 9932
195: ok 9933
195: ok 9934
195: ok 9935
195: ok 9936
195: ok 9937
195: ok 9938
195: ok 9939
195: ok 9940
195: ok 9941
195: ok 9942
195: ok 9943
195: ok 9944
195: ok 9945
195: ok 9946
195: ok 9947
195: ok 9948
195: ok 9949
195: ok 9950
195: ok 9951
195: ok 9952
195: ok 9953
195: ok 9954
195: ok 9955
195: ok 9956
195: ok 9957
195: ok 9958
195: ok 9959
195: ok 9960
195: ok 9961
195: ok 9962
195: ok 9963
195: ok 9964
195: ok 9965
195: ok 9966
195: ok 9967
195: ok 9968
195: ok 9969
195: ok 9970
195: ok 9971
195: ok 9972
195: ok 9973
195: ok 9974
195: ok 9975
195: ok 9976
195: ok 9977
195: ok 9978
195: ok 9979
195: ok 9980
195: ok 9981
195: ok 9982
195: ok 9983
195: ok 9984
195: ok 9985
195: ok 9986
195: ok 9987
195: ok 9988
195: ok 9989
195: ok 9990
195: ok 9991
195: ok 9992
195: ok 9993
195: ok 9994
195: ok 9995
195: ok 9996
195: ok 9997
195: ok 9998
195: ok 9999
195: ok 10000
195: ok 10001
195: ok 10002
195: ok 10003
195: ok 10004
195: ok 10005
195: ok 10006
195: ok 10007
195: ok 10008
195: ok 10009
195: ok 10010
195: ok 10011
195: ok 10012
195: ok 10013
195: ok 10014
195: ok 10015
195: ok 10016
195: ok 10017
195: ok 10018
195: ok 10019
195: ok 10020
195: ok 10021
195: ok 10022
195: ok 10023
195: ok 10024
195: ok 10025
195: ok 10026
195: ok 10027
195: ok 10028
195: ok 10029
195: ok 10030
195: ok 10031
195: ok 10032
195: ok 10033
195: ok 10034
195: ok 10035
195: ok 10036
195: ok 10037
195: ok 10038
195: ok 10039
195: ok 10040
195: ok 10041
195: ok 10042
195: ok 10043
195: ok 10044
195: ok 10045
195: ok 10046
195: ok 10047
195: ok 10048
195: ok 10049
195: ok 10050
195: ok 10051
195: ok 10052
195: ok 10053
195: ok 10054
195: ok 10055
195: ok 10056
195: ok 10057
195: ok 10058
195: ok 10059
195: ok 10060
195: ok 10061
195: ok 10062
195: ok 10063
195: ok 10064
195: ok 10065
195: ok 10066
195: ok 10067
195: ok 10068
195: ok 10069
195: ok 10070
195: ok 10071
195: ok 10072
195: ok 10073
195: ok 10074
195: ok 10075
195: ok 10076
195: ok 10077
195: ok 10078
195: ok 10079
195: ok 10080
195: ok 10081
195: ok 10082
195: ok 10083
195: ok 10084
195: ok 10085
195: ok 10086
195: ok 10087
195: ok 10088
195: ok 10089
195: ok 10090
195: ok 10091
195: ok 10092
195: ok 10093
195: ok 10094
195: ok 10095
195: ok 10096
195: ok 10097
195: ok 10098
195: ok 10099
195: ok 10100
195: ok 10101
195: ok 10102
195: ok 10103
195: ok 10104
195: ok 10105
195: ok 10106
195: ok 10107
195: ok 10108
195: ok 10109
195: ok 10110
195: ok 10111
195: ok 10112
195: ok 10113
195: ok 10114
195: ok 10115
195: ok 10116
195: ok 10117
195: ok 10118
195: ok 10119
195: ok 10120
195: ok 10121
195: ok 10122
195: ok 10123
195: ok 10124
195: ok 10125
195: ok 10126
195: ok 10127
195: ok 10128
195: ok 10129
195: ok 10130
195: ok 10131
195: ok 10132
195: ok 10133
195: ok 10134
195: ok 10135
195: ok 10136
195: ok 10137
195: ok 10138
195: ok 10139
195: ok 10140
195: ok 10141
195: ok 10142
195: ok 10143
195: ok 10144
195: ok 10145
195: ok 10146
195: ok 10147
195: ok 10148
195: ok 10149
195: ok 10150
195: ok 10151
195: ok 10152
195: ok 10153
195: ok 10154
195: ok 10155
195: ok 10156
195: ok 10157
195: ok 10158
195: ok 10159
195: ok 10160
195: ok 10161
195: ok 10162
195: ok 10163
195: ok 10164
195: ok 10165
195: ok 10166
195: ok 10167
195: ok 10168
195: ok 10169
195: ok 10170
195: ok 10171
195: ok 10172
195: ok 10173
195: ok 10174
195: ok 10175
195: ok 10176
195: ok 10177
195: ok 10178
195: ok 10179
195: ok 10180
195: ok 10181
195: ok 10182
195: ok 10183
195: ok 10184
195: ok 10185
195: ok 10186
195: ok 10187
195: ok 10188
195: ok 10189
195: ok 10190
195: ok 10191
195: ok 10192
195: ok 10193
195: ok 10194
195: ok 10195
195: ok 10196
195: ok 10197
195: ok 10198
195: ok 10199
195: ok 10200
195: ok 10201
195: ok 10202
195: ok 10203
195: ok 10204
195: ok 10205
195: ok 10206
195: ok 10207
195: ok 10208
195: ok 10209
195: ok 10210
195: ok 10211
195: ok 10212
195: ok 10213
195: ok 10214
195: ok 10215
195: ok 10216
195: ok 10217
195: ok 10218
195: ok 10219
195: ok 10220
195: ok 10221
195: ok 10222
195: ok 10223
195: ok 10224
195: ok 10225
195: ok 10226
195: ok 10227
195: ok 10228
195: ok 10229
195: ok 10230
195: ok 10231
195: ok 10232
195: ok 10233
195: ok 10234
195: ok 10235
195: ok 10236
195: ok 10237
195: ok 10238
195: ok 10239
195: ok 10240
195: ok 10241
195: ok 10242
195: ok 10243
195: ok 10244
195: ok 10245
195: ok 10246
195: ok 10247
195: ok 10248
195: ok 10249
195: ok 10250
195: ok 10251
195: ok 10252
195: ok 10253
195: ok 10254
195: ok 10255
195: ok 10256
195: ok 10257
195: ok 10258
195: ok 10259
195: ok 10260
195: ok 10261
195: ok 10262
195: ok 10263
195: ok 10264
195: ok 10265
195: ok 10266
195: ok 10267
195: ok 10268
195: ok 10269
195: ok 10270
195: ok 10271
195: ok 10272
195: ok 10273
195: ok 10274
195: ok 10275
195: ok 10276
195: ok 10277
195: ok 10278
195: ok 10279
195: ok 10280
195: ok 10281
195: ok 10282
195: ok 10283
195: ok 10284
195: ok 10285
195: ok 10286
195: ok 10287
195: ok 10288
195: ok 10289
195: ok 10290
195: ok 10291
195: ok 10292
195: ok 10293
195: ok 10294
195: ok 10295
195: ok 10296
195: ok 10297
195: ok 10298
195: ok 10299
195: ok 10300
195: ok 10301
195: ok 10302
195: ok 10303
195: ok 10304
195: ok 10305
195: ok 10306
195: ok 10307
195: ok 10308
195: ok 10309
195: ok 10310
195: ok 10311
195: ok 10312
195: ok 10313
195: ok 10314
195: ok 10315
195: ok 10316
195: ok 10317
195: ok 10318
195: ok 10319
195: ok 10320
195: ok 10321
195: ok 10322
195: ok 10323
195: ok 10324
195: ok 10325
195: ok 10326
195: ok 10327
195: ok 10328
195: ok 10329
195: ok 10330
195: ok 10331
195: ok 10332
195: ok 10333
195: ok 10334
195: ok 10335
195: ok 10336
195: ok 10337
195: ok 10338
195: ok 10339
195: ok 10340
195: ok 10341
195: ok 10342
195: ok 10343
195: ok 10344
195: ok 10345
195: ok 10346
195: ok 10347
195: ok 10348
195: ok 10349
195: ok 10350
195: ok 10351
195: ok 10352
195: ok 10353
195: ok 10354
195: ok 10355
195: ok 10356
195: ok 10357
195: ok 10358
195: ok 10359
195: ok 10360
195: ok 10361
195: ok 10362
195: ok 10363
195: ok 10364
195: ok 10365
195: ok 10366
195: ok 10367
195: ok 10368
195: ok 10369
195: ok 10370
195: ok 10371
195: ok 10372
195: ok 10373
195: ok 10374
195: ok 10375
195: ok 10376
195: ok 10377
195: ok 10378
195: ok 10379
195: ok 10380
195: ok 10381
195: ok 10382
195: ok 10383
195: ok 10384
195: ok 10385
195: ok 10386
195: ok 10387
195: ok 10388
195: ok 10389
195: ok 10390
195: ok 10391
195: ok 10392
195: ok 10393
195: ok 10394
195: ok 10395
195: ok 10396
195: ok 10397
195: ok 10398
195: ok 10399
195: ok 10400
195: ok 10401
195: ok 10402
195: ok 10403
195: ok 10404
195: ok 10405
195: ok 10406
195: ok 10407
195: ok 10408
195: ok 10409
195: ok 10410
195: ok 10411
195: ok 10412
195: ok 10413
195: ok 10414
195: ok 10415
195: ok 10416
195: ok 10417
195: ok 10418
195: ok 10419
195: ok 10420
195: ok 10421
195: ok 10422
195: ok 10423
195: ok 10424
195: ok 10425
195: ok 10426
195: ok 10427
195: ok 10428
195: ok 10429
195: ok 10430
195: ok 10431
195: ok 10432
195: ok 10433
195: ok 10434
195: ok 10435
195: ok 10436
195: ok 10437
195: ok 10438
195: ok 10439
195: ok 10440
195: ok 10441
195: ok 10442
195: ok 10443
195: ok 10444
195: ok 10445
195: ok 10446
195: ok 10447
195: ok 10448
195: ok 10449
195: ok 10450
195: ok 10451
195: ok 10452
195: ok 10453
195: ok 10454
195: ok 10455
195: ok 10456
195: ok 10457
195: ok 10458
195: ok 10459
195: ok 10460
195: ok 10461
195: ok 10462
195: ok 10463
195: ok 10464
195: ok 10465
195: ok 10466
195: ok 10467
195: ok 10468
195: ok 10469
195: ok 10470
195: ok 10471
195: ok 10472
195: ok 10473
195: ok 10474
195: ok 10475
195: ok 10476
195: ok 10477
195: ok 10478
195: ok 10479
195: ok 10480
195: ok 10481
195: ok 10482
195: ok 10483
195: ok 10484
195: ok 10485
195: ok 10486
195: ok 10487
195: ok 10488
195: ok 10489
195: ok 10490
195: ok 10491
195: ok 10492
195: ok 10493
195: ok 10494
195: ok 10495
195: ok 10496
195: ok 10497
195: ok 10498
195: ok 10499
195: ok 10500
195: ok 10501
195: ok 10502
195: ok 10503
195: ok 10504
195: ok 10505
195: ok 10506
195: ok 10507
195: ok 10508
195: ok 10509
195: ok 10510
195: ok 10511
195: ok 10512
195: ok 10513
195: ok 10514
195: ok 10515
195: ok 10516
195: ok 10517
195: ok 10518
195: ok 10519
195: ok 10520
195: ok 10521
195: ok 10522
195: ok 10523
195: ok 10524
195: ok 10525
195: ok 10526
195: ok 10527
195: ok 10528
195: ok 10529
195: ok 10530
195: ok 10531
195: ok 10532
195: ok 10533
195: ok 10534
195: ok 10535
195: ok 10536
195: ok 10537
195: ok 10538
195: ok 10539
195: ok 10540
195: ok 10541
195: ok 10542
195: ok 10543
195: ok 10544
195: ok 10545
195: ok 10546
195: ok 10547
195: ok 10548
195: ok 10549
195: ok 10550
195: ok 10551
195: ok 10552
195: ok 10553
195: ok 10554
195: ok 10555
195: ok 10556
195: ok 10557
195: ok 10558
195: ok 10559
195: ok 10560
195: ok 10561
195: ok 10562
195: ok 10563
195: ok 10564
195: ok 10565
195: ok 10566
195: ok 10567
195: ok 10568
195: ok 10569
195: ok 10570
195: ok 10571
195: ok 10572
195: ok 10573
195: ok 10574
195: ok 10575
195: ok 10576
195: ok 10577
195: ok 10578
195: ok 10579
195: ok 10580
195: ok 10581
195: ok 10582
195: ok 10583
195: ok 10584
195: ok 10585
195: ok 10586
195: ok 10587
195: ok 10588
195: ok 10589
195: ok 10590
195: ok 10591
195: ok 10592
195: ok 10593
195: ok 10594
195: ok 10595
195: ok 10596
195: ok 10597
195: ok 10598
195: ok 10599
195: ok 10600
195: ok 10601
195: ok 10602
195: ok 10603
195: ok 10604
195: ok 10605
195: ok 10606
195: ok 10607
195: ok 10608
195: ok 10609
195: ok 10610
195: ok 10611
195: ok 10612
195: ok 10613
195: ok 10614
195: ok 10615
195: ok 10616
195: ok 10617
195: ok 10618
195: ok 10619
195: ok 10620
195: ok 10621
195: ok 10622
195: ok 10623
195: ok 10624
195: ok 10625
195: ok 10626
195: ok 10627
195: ok 10628
195: ok 10629
195: ok 10630
195: ok 10631
195: ok 10632
195: ok 10633
195: ok 10634
195: ok 10635
195: ok 10636
195: ok 10637
195: ok 10638
195: ok 10639
195: ok 10640
195: ok 10641
195: ok 10642
195: ok 10643
195: ok 10644
195: ok 10645
195: ok 10646
195: ok 10647
195: ok 10648
195: ok 10649
195: ok 10650
195: ok 10651
195: ok 10652
195: ok 10653
195: ok 10654
195: ok 10655
195: ok 10656
195: ok 10657
195: ok 10658
195: ok 10659
195: ok 10660
195: ok 10661
195: ok 10662
195: ok 10663
195: ok 10664
195: ok 10665
195: ok 10666
195: ok 10667
195: ok 10668
195: ok 10669
195: ok 10670
195: ok 10671
195: ok 10672
195: ok 10673
195: ok 10674
195: ok 10675
195: ok 10676
195: ok 10677
195: ok 10678
195: ok 10679
195: ok 10680
195: ok 10681
195: ok 10682
195: ok 10683
195: ok 10684
195: ok 10685
195: ok 10686
195: ok 10687
195: ok 10688
195: ok 10689
195: ok 10690
195: ok 10691
195: ok 10692
195: ok 10693
195: ok 10694
195: ok 10695
195: ok 10696
195: ok 10697
195: ok 10698
195: ok 10699
195: ok 10700
195: ok 10701
195: ok 10702
195: ok 10703
195: ok 10704
195: ok 10705
195: ok 10706
195: ok 10707
195: ok 10708
195: ok 10709
195: ok 10710
195: ok 10711
195: ok 10712
195: ok 10713
195: ok 10714
195: ok 10715
195: ok 10716
195: ok 10717
195: ok 10718
195: ok 10719
195: ok 10720
195: ok 10721
195: ok 10722
195: ok 10723
195: ok 10724
195: ok 10725
195: ok 10726
195: ok 10727
195: ok 10728
195: ok 10729
195: ok 10730
195: ok 10731
195: ok 10732
195: ok 10733
195: ok 10734
195: ok 10735
195: ok 10736
195: ok 10737
195: ok 10738
195: ok 10739
195: ok 10740
195: ok 10741
195: ok 10742
195: ok 10743
195: ok 10744
195: ok 10745
195: ok 10746
195: ok 10747
195: ok 10748
195: ok 10749
195: ok 10750
195: ok 10751
195: ok 10752
195: ok 10753
195: ok 10754
195: ok 10755
195: ok 10756
195: ok 10757
195: ok 10758
195: ok 10759
195: ok 10760
195: ok 10761
195: ok 10762
195: ok 10763
195: ok 10764
195: ok 10765
195: ok 10766
195: ok 10767
195: ok 10768
195: ok 10769
195: ok 10770
195: ok 10771
195: ok 10772
195: ok 10773
195: ok 10774
195: ok 10775
195: ok 10776
195: ok 10777
195: ok 10778
195: ok 10779
195: ok 10780
195: ok 10781
195: ok 10782
195: ok 10783
195: ok 10784
195: ok 10785
195: ok 10786
195: ok 10787
195: ok 10788
195: ok 10789
195: ok 10790
195: ok 10791
195: ok 10792
195: ok 10793
195: ok 10794
195: ok 10795
195: ok 10796
195: ok 10797
195: ok 10798
195: ok 10799
195: ok 10800
195: ok 10801
195: ok 10802
195: ok 10803
195: ok 10804
195: ok 10805
195: ok 10806
195: ok 10807
195: ok 10808
195: ok 10809
195: ok 10810
195: ok 10811
195: ok 10812
195: ok 10813
195: ok 10814
195: ok 10815
195: ok 10816
195: ok 10817
195: ok 10818
195: ok 10819
195: ok 10820
195: ok 10821
195: ok 10822
195: ok 10823
195: ok 10824
195: ok 10825
195: ok 10826
195: ok 10827
195: ok 10828
195: ok 10829
195: ok 10830
195: ok 10831
195: ok 10832
195: ok 10833
195: ok 10834
195: ok 10835
195: ok 10836
195: ok 10837
195: ok 10838
195: ok 10839
195: ok 10840
195: ok 10841
195: ok 10842
195: ok 10843
195: ok 10844
195: ok 10845
195: ok 10846
195: ok 10847
195: ok 10848
195: ok 10849
195: ok 10850
195: ok 10851
195: ok 10852
195: ok 10853
195: ok 10854
195: ok 10855
195: ok 10856
195: ok 10857
195: ok 10858
195: ok 10859
195: ok 10860
195: ok 10861
195: ok 10862
195: ok 10863
195: ok 10864
195: ok 10865
195: ok 10866
195: ok 10867
195: ok 10868
195: ok 10869
195: ok 10870
195: ok 10871
195: ok 10872
195: ok 10873
195: ok 10874
195: ok 10875
195: ok 10876
195: ok 10877
195: ok 10878
195: ok 10879
195: ok 10880
195: ok 10881
195: ok 10882
195: ok 10883
195: ok 10884
195: ok 10885
195: ok 10886
195: ok 10887
195: ok 10888
195: ok 10889
195: ok 10890
195: ok 10891
195: ok 10892
195: ok 10893
195: ok 10894
195: ok 10895
195: ok 10896
195: ok 10897
195: ok 10898
195: ok 10899
195: ok 10900
195: ok 10901
195: ok 10902
195: ok 10903
195: ok 10904
195: ok 10905
195: ok 10906
195: ok 10907
195: ok 10908
195: ok 10909
195: ok 10910
195: ok 10911
195: ok 10912
195: ok 10913
195: ok 10914
195: ok 10915
195: ok 10916
195: ok 10917
195: ok 10918
195: ok 10919
195: ok 10920
195: ok 10921
195: ok 10922
195: ok 10923
195: ok 10924
195: ok 10925
195: ok 10926
195: ok 10927
195: ok 10928
195: ok 10929
195: ok 10930
195: ok 10931
195: ok 10932
195: ok 10933
195: ok 10934
195: ok 10935
195: ok 10936
195: ok 10937
195: ok 10938
195: ok 10939
195: ok 10940
195: ok 10941
195: ok 10942
195: ok 10943
195: ok 10944
195: ok 10945
195: ok 10946
195: ok 10947
195: ok 10948
195: ok 10949
195: ok 10950
195: ok 10951
195: ok 10952
195: ok 10953
195: ok 10954
195: ok 10955
195: ok 10956
195: ok 10957
195: ok 10958
195: ok 10959
195: ok 10960
195: ok 10961
195: ok 10962
195: ok 10963
195: ok 10964
195: ok 10965
195: ok 10966
195: ok 10967
195: ok 10968
195: ok 10969
195: ok 10970
195: ok 10971
195: ok 10972
195: ok 10973
195: ok 10974
195: ok 10975
195: ok 10976
195: ok 10977
195: ok 10978
195: ok 10979
195: ok 10980
195: ok 10981
195: ok 10982
195: ok 10983
195: ok 10984
195: ok 10985
195: ok 10986
195: ok 10987
195: ok 10988
195: ok 10989
195: ok 10990
195: ok 10991
195: ok 10992
195: ok 10993
195: ok 10994
195: ok 10995
195: ok 10996
195: ok 10997
195: ok 10998
195: ok 10999
195: ok 11000
195: ok 11001
195: ok 11002
195: ok 11003
195: ok 11004
195: ok 11005
195: ok 11006
195: ok 11007
195: ok 11008
195: ok 11009
195: ok 11010
195: ok 11011
195: ok 11012
195: ok 11013
195: ok 11014
195: ok 11015
195: ok 11016
195: ok 11017
195: ok 11018
195: ok 11019
195: ok 11020
195: ok 11021
195: ok 11022
195: ok 11023
195: ok 11024
195: ok 11025
195: ok 11026
195: ok 11027
195: ok 11028
195: ok 11029
195: ok 11030
195: ok 11031
195: ok 11032
195: ok 11033
195: ok 11034
195: ok 11035
195: ok 11036
195: ok 11037
195: ok 11038
195: ok 11039
195: ok 11040
195: ok 11041
195: ok 11042
195: ok 11043
195: ok 11044
195: ok 11045
195: ok 11046
195: ok 11047
195: ok 11048
195: ok 11049
195: ok 11050
195: ok 11051
195: ok 11052
195: ok 11053
195: ok 11054
195: ok 11055
195: ok 11056
195: ok 11057
195: ok 11058
195: ok 11059
195: ok 11060
195: ok 11061
195: ok 11062
195: ok 11063
195: ok 11064
195: ok 11065
195: ok 11066
195: ok 11067
195: ok 11068
195: ok 11069
195: ok 11070
195: ok 11071
195: ok 11072
195: ok 11073
195: ok 11074
195: ok 11075
195: ok 11076
195: ok 11077
195: ok 11078
195: ok 11079
195: ok 11080
195: ok 11081
195: ok 11082
195: ok 11083
195: ok 11084
195: ok 11085
195: ok 11086
195: ok 11087
195: ok 11088
195: ok 11089
195: ok 11090
195: ok 11091
195: ok 11092
195: ok 11093
195: ok 11094
195: ok 11095
195: ok 11096
195: ok 11097
195: ok 11098
195: ok 11099
195: ok 11100
195: ok 11101
195: ok 11102
195: ok 11103
195: ok 11104
195: ok 11105
195: ok 11106
195: ok 11107
195: ok 11108
195: ok 11109
195: ok 11110
195: ok 11111
195: ok 11112
195: ok 11113
195: ok 11114
195: ok 11115
195: ok 11116
195: ok 11117
195: ok 11118
195: ok 11119
195: ok 11120
195: ok 11121
195: ok 11122
195: ok 11123
195: ok 11124
195: ok 11125
195: ok 11126
195: ok 11127
195: ok 11128
195: ok 11129
195: ok 11130
195: ok 11131
195: ok 11132
195: ok 11133
195: ok 11134
195: ok 11135
195: ok 11136
195: ok 11137
195: ok 11138
195: ok 11139
195: ok 11140
195: ok 11141
195: ok 11142
195: ok 11143
195: ok 11144
195: ok 11145
195: ok 11146
195: ok 11147
195: ok 11148
195: ok 11149
195: ok 11150
195: ok 11151
195: ok 11152
195: ok 11153
195: ok 11154
195: ok 11155
195: ok 11156
195: ok 11157
195: ok 11158
195: ok 11159
195: ok 11160
195: ok 11161
195: ok 11162
195: ok 11163
195: ok 11164
195: ok 11165
195: ok 11166
195: ok 11167
195: ok 11168
195: ok 11169
195: ok 11170
195: ok 11171
195: ok 11172
195: ok 11173
195: ok 11174
195: ok 11175
195: ok 11176
195: ok 11177
195: ok 11178
195: ok 11179
195: ok 11180
195: ok 11181
195: ok 11182
195: ok 11183
195: ok 11184
195: ok 11185
195: ok 11186
195: ok 11187
195: ok 11188
195: ok 11189
195: ok 11190
195: ok 11191
195: ok 11192
195: ok 11193
195: ok 11194
195: ok 11195
195: ok 11196
195: ok 11197
195: ok 11198
195: ok 11199
195: ok 11200
195: ok 11201
195: ok 11202
195: ok 11203
195: ok 11204
195: ok 11205
195: ok 11206
195: ok 11207
195: ok 11208
195: ok 11209
195: ok 11210
195: ok 11211
195: ok 11212
195: ok 11213
195: ok 11214
195: ok 11215
195: ok 11216
195: ok 11217
195: ok 11218
195: ok 11219
195: ok 11220
195: ok 11221
195: ok 11222
195: ok 11223
195: ok 11224
195: ok 11225
195: ok 11226
195: ok 11227
195: ok 11228
195: ok 11229
195: ok 11230
195: ok 11231
195: ok 11232
195: ok 11233
195: ok 11234
195: ok 11235
195: ok 11236
195: ok 11237
195: ok 11238
195: ok 11239
195: ok 11240
195: ok 11241
195: ok 11242
195: ok 11243
195: ok 11244
195: ok 11245
195: ok 11246
195: ok 11247
195: ok 11248
195: ok 11249
195: ok 11250
195: ok 11251
195: ok 11252
195: ok 11253
195: ok 11254
195: ok 11255
195: ok 11256
195: ok 11257
195: ok 11258
195: ok 11259
195: ok 11260
195: ok 11261
195: ok 11262
195: ok 11263
195: ok 11264
195: ok 11265
195: ok 11266
195: ok 11267
195: ok 11268
195: ok 11269
195: ok 11270
195: ok 11271
195: ok 11272
195: ok 11273
195: ok 11274
195: ok 11275
195: ok 11276
195: ok 11277
195: ok 11278
195: ok 11279
195: ok 11280
195: ok 11281
195: ok 11282
195: ok 11283
195: ok 11284
195: ok 11285
195: ok 11286
195: ok 11287
195: ok 11288
195: ok 11289
195: ok 11290
195: ok 11291
195: ok 11292
195: ok 11293
195: ok 11294
195: ok 11295
195: ok 11296
195: ok 11297
195: ok 11298
195: ok 11299
195: ok 11300
195: ok 11301
195: ok 11302
195: ok 11303
195: ok 11304
195: ok 11305
195: ok 11306
195: ok 11307
195: ok 11308
195: ok 11309
195: ok 11310
195: ok 11311
195: ok 11312
195: ok 11313
195: ok 11314
195: ok 11315
195: ok 11316
195: ok 11317
195: ok 11318
195: ok 11319
195: ok 11320
195: ok 11321
195: ok 11322
195: ok 11323
195: ok 11324
195: ok 11325
195: ok 11326
195: ok 11327
195: ok 11328
195: ok 11329
195: ok 11330
195: ok 11331
195: ok 11332
195: ok 11333
195: ok 11334
195: ok 11335
195: ok 11336
195: ok 11337
195: ok 11338
195: ok 11339
195: ok 11340
195: ok 11341
195: ok 11342
195: ok 11343
195: ok 11344
195: ok 11345
195: ok 11346
195: ok 11347
195: ok 11348
195: ok 11349
195: ok 11350
195: ok 11351
195: ok 11352
195: ok 11353
195: ok 11354
195: ok 11355
195: ok 11356
195: ok 11357
195: ok 11358
195: ok 11359
195: ok 11360
195: ok 11361
195: ok 11362
195: ok 11363
195: ok 11364
195: ok 11365
195: ok 11366
195: ok 11367
195: ok 11368
195: ok 11369
195: ok 11370
195: ok 11371
195: ok 11372
195: ok 11373
195: ok 11374
195: ok 11375
195: ok 11376
195: ok 11377
195: ok 11378
195: ok 11379
195: ok 11380
195: ok 11381
195: ok 11382
195: ok 11383
195: ok 11384
195: ok 11385
195: ok 11386
195: ok 11387
195: ok 11388
195: ok 11389
195: ok 11390
195: ok 11391
195: ok 11392
195: ok 11393
195: ok 11394
195: ok 11395
195: ok 11396
195: ok 11397
195: ok 11398
195: ok 11399
195: ok 11400
195: ok 11401
195: ok 11402
195: ok 11403
195: ok 11404
195: ok 11405
195: ok 11406
195: ok 11407
195: ok 11408
195: ok 11409
195: ok 11410
195: ok 11411
195: ok 11412
195: ok 11413
195: ok 11414
195: ok 11415
195: ok 11416
195: ok 11417
195: ok 11418
195: ok 11419
195: ok 11420
195: ok 11421
195: ok 11422
195: ok 11423
195: ok 11424
195: ok 11425
195: ok 11426
195: ok 11427
195: ok 11428
195: ok 11429
195: ok 11430
195: ok 11431
195: ok 11432
195: ok 11433
195: ok 11434
195: ok 11435
195: ok 11436
195: ok 11437
195: ok 11438
195: ok 11439
195: ok 11440
195: ok 11441
195: ok 11442
195: ok 11443
195: ok 11444
195: ok 11445
195: ok 11446
195: ok 11447
195: ok 11448
195: ok 11449
195: ok 11450
195: ok 11451
195: ok 11452
195: ok 11453
195: ok 11454
195: ok 11455
195: ok 11456
195: ok 11457
195: ok 11458
195: ok 11459
195: ok 11460
195: ok 11461
195: ok 11462
195: ok 11463
195: ok 11464
195: ok 11465
195: ok 11466
195: ok 11467
195: ok 11468
195: ok 11469
195: ok 11470
195: ok 11471
195: ok 11472
195: ok 11473
195: ok 11474
195: ok 11475
195: ok 11476
195: ok 11477
195: ok 11478
195: ok 11479
195: ok 11480
195: ok 11481
195: ok 11482
195: ok 11483
195: ok 11484
195: ok 11485
195: ok 11486
195: ok 11487
195: ok 11488
195: ok 11489
195: ok 11490
195: ok 11491
195: ok 11492
195: ok 11493
195: ok 11494
195: ok 11495
195: ok 11496
195: ok 11497
195: ok 11498
195: ok 11499
195: ok 11500
195: ok 11501
195: ok 11502
195: ok 11503
195: ok 11504
195: ok 11505
195: ok 11506
195: ok 11507
195: ok 11508
195: ok 11509
195: ok 11510
195: ok 11511
195: ok 11512
195: ok 11513
195: ok 11514
195: ok 11515
195: ok 11516
195: ok 11517
195: ok 11518
195: ok 11519
195: ok 11520
195: ok 11521
195: ok 11522
195: ok 11523
195: ok 11524
195: ok 11525
195: ok 11526
195: ok 11527
195: ok 11528
195: ok 11529
195: ok 11530
195: ok 11531
195: ok 11532
195: ok 11533
195: ok 11534
195: ok 11535
195: ok 11536
195: ok 11537
195: ok 11538
195: ok 11539
195: ok 11540
195: ok 11541
195: ok 11542
195: ok 11543
195: ok 11544
195: ok 11545
195: ok 11546
195: ok 11547
195: ok 11548
195: ok 11549
195: ok 11550
195: ok 11551
195: ok 11552
195: ok 11553
195: ok 11554
195: ok 11555
195: ok 11556
195: ok 11557
195: ok 11558
195: ok 11559
195: ok 11560
195: ok 11561
195: ok 11562
195: ok 11563
195: ok 11564
195: ok 11565
195: ok 11566
195: ok 11567
195: ok 11568
195: ok 11569
195: ok 11570
195: ok 11571
195: ok 11572
195: ok 11573
195: ok 11574
195: ok 11575
195: ok 11576
195: ok 11577
195: ok 11578
195: ok 11579
195: ok 11580
195: ok 11581
195: ok 11582
195: ok 11583
195: ok 11584
195: ok 11585
195: ok 11586
195: ok 11587
195: ok 11588
195: ok 11589
195: ok 11590
195: ok 11591
195: ok 11592
195: ok 11593
195: ok 11594
195: ok 11595
195: ok 11596
195: ok 11597
195: ok 11598
195: ok 11599
195: ok 11600
195: ok 11601
195: ok 11602
195: ok 11603
195: ok 11604
195: ok 11605
195: ok 11606
195: ok 11607
195: ok 11608
195: ok 11609
195: ok 11610
195: ok 11611
195: ok 11612
195: ok 11613
195: ok 11614
195: ok 11615
195: ok 11616
195: ok 11617
195: ok 11618
195: ok 11619
195: ok 11620
195: ok 11621
195: ok 11622
195: ok 11623
195: ok 11624
195: ok 11625
195: ok 11626
195: ok 11627
195: ok 11628
195: ok 11629
195: ok 11630
195: ok 11631
195: ok 11632
195: ok 11633
195: ok 11634
195: ok 11635
195: ok 11636
195: ok 11637
195: ok 11638
195: ok 11639
195: ok 11640
195: ok 11641
195: ok 11642
195: ok 11643
195: ok 11644
195: ok 11645
195: ok 11646
195: ok 11647
195: ok 11648
195: ok 11649
195: ok 11650
195: ok 11651
195: ok 11652
195: ok 11653
195: ok 11654
195: ok 11655
195: ok 11656
195: ok 11657
195: ok 11658
195: ok 11659
195: ok 11660
195: ok 11661
195: ok 11662
195: ok 11663
195: ok 11664
195: ok 11665
195: ok 11666
195: ok 11667
195: ok 11668
195: ok 11669
195: ok 11670
195: ok 11671
195: ok 11672
195: ok 11673
195: ok 11674
195: ok 11675
195: ok 11676
195: ok 11677
195: ok 11678
195: ok 11679
195: ok 11680
195: ok 11681
195: ok 11682
195: ok 11683
195: ok 11684
195: ok 11685
195: ok 11686
195: ok 11687
195: ok 11688
195: ok 11689
195: ok 11690
195: ok 11691
195: ok 11692
195: ok 11693
195: ok 11694
195: ok 11695
195: ok 11696
195: ok 11697
195: ok 11698
195: ok 11699
195: ok 11700
195: ok 11701
195: ok 11702
195: ok 11703
195: ok 11704
195: ok 11705
195: ok 11706
195: ok 11707
195: ok 11708
195: ok 11709
195: ok 11710
195: ok 11711
195: ok 11712
195: ok 11713
195: ok 11714
195: ok 11715
195: ok 11716
195: ok 11717
195: ok 11718
195: ok 11719
195: ok 11720
195: ok 11721
195: ok 11722
195: ok 11723
195: ok 11724
195: ok 11725
195: ok 11726
195: ok 11727
195: ok 11728
195: ok 11729
195: ok 11730
195: ok 11731
195: ok 11732
195: ok 11733
195: ok 11734
195: ok 11735
195: ok 11736
195: ok 11737
195: ok 11738
195: ok 11739
195: ok 11740
195: ok 11741
195: ok 11742
195: ok 11743
195: ok 11744
195: ok 11745
195: ok 11746
195: ok 11747
195: ok 11748
195: ok 11749
195: ok 11750
195: ok 11751
195: ok 11752
195: ok 11753
195: ok 11754
195: ok 11755
195: ok 11756
195: ok 11757
195: ok 11758
195: ok 11759
195: ok 11760
195: ok 11761
195: ok 11762
195: ok 11763
195: ok 11764
195: ok 11765
195: ok 11766
195: ok 11767
195: ok 11768
195: ok 11769
195: ok 11770
195: ok 11771
195: ok 11772
195: ok 11773
195: ok 11774
195: ok 11775
195: ok 11776
195: ok 11777
195: ok 11778
195: ok 11779
195: ok 11780
195: ok 11781
195: ok 11782
195: ok 11783
195: ok 11784
195: ok 11785
195: ok 11786
195: ok 11787
195: ok 11788
195: ok 11789
195: ok 11790
195: ok 11791
195: ok 11792
195: ok 11793
195: ok 11794
195: ok 11795
195: ok 11796
195: ok 11797
195: ok 11798
195: ok 11799
195: ok 11800
195: ok 11801
195: ok 11802
195: ok 11803
195: ok 11804
195: ok 11805
195: ok 11806
195: ok 11807
195: ok 11808
195: ok 11809
195: ok 11810
195: ok 11811
195: ok 11812
195: ok 11813
195: ok 11814
195: ok 11815
195: ok 11816
195: ok 11817
195: ok 11818
195: ok 11819
195: ok 11820
195: ok 11821
195: ok 11822
195: ok 11823
195: ok 11824
195: ok 11825
195: ok 11826
195: ok 11827
195: ok 11828
195: ok 11829
195: ok 11830
195: ok 11831
195: ok 11832
195: ok 11833
195: ok 11834
195: ok 11835
195: ok 11836
195: ok 11837
195: ok 11838
195: ok 11839
195: ok 11840
195: ok 11841
195: ok 11842
195: ok 11843
195: ok 11844
195: ok 11845
195: ok 11846
195: ok 11847
195: ok 11848
195: ok 11849
195: ok 11850
195: ok 11851
195: ok 11852
195: ok 11853
195: ok 11854
195: ok 11855
195: ok 11856
195: ok 11857
195: ok 11858
195: ok 11859
195: ok 11860
195: ok 11861
195: ok 11862
195: ok 11863
195: ok 11864
195: ok 11865
195: ok 11866
195: ok 11867
195: ok 11868
195: ok 11869
195: ok 11870
195: ok 11871
195: ok 11872
195: ok 11873
195: ok 11874
195: ok 11875
195: ok 11876
195: ok 11877
195: ok 11878
195: ok 11879
195: ok 11880
195: ok 11881
195: ok 11882
195: ok 11883
195: ok 11884
195: ok 11885
195: ok 11886
195: ok 11887
195: ok 11888
195: ok 11889
195: ok 11890
195: ok 11891
195: ok 11892
195: ok 11893
195: ok 11894
195: ok 11895
195: ok 11896
195: ok 11897
195: ok 11898
195: ok 11899
195: ok 11900
195: ok 11901
195: ok 11902
195: ok 11903
195: ok 11904
195: ok 11905
195: ok 11906
195: ok 11907
195: ok 11908
195: ok 11909
195: ok 11910
195: ok 11911
195: ok 11912
195: ok 11913
195: ok 11914
195: ok 11915
195: ok 11916
195: ok 11917
195: ok 11918
195: ok 11919
195: ok 11920
195: ok 11921
195: ok 11922
195: ok 11923
195: ok 11924
195: ok 11925
195: ok 11926
195: ok 11927
195: ok 11928
195: ok 11929
195: ok 11930
195: ok 11931
195: ok 11932
195: ok 11933
195: ok 11934
195: ok 11935
195: ok 11936
195: ok 11937
195: ok 11938
195: ok 11939
195: ok 11940
195: ok 11941
195: ok 11942
195: ok 11943
195: ok 11944
195: ok 11945
195: ok 11946
195: ok 11947
195: ok 11948
195: ok 11949
195: ok 11950
195: ok 11951
195: ok 11952
195: ok 11953
195: ok 11954
195: ok 11955
195: ok 11956
195: ok 11957
195: ok 11958
195: ok 11959
195: ok 11960
195: ok 11961
195: ok 11962
195: ok 11963
195: ok 11964
195: ok 11965
195: ok 11966
195: ok 11967
195: ok 11968
195: ok 11969
195: ok 11970
195: ok 11971
195: ok 11972
195: ok 11973
195: ok 11974
195: ok 11975
195: ok 11976
195: ok 11977
195: ok 11978
195: ok 11979
195: ok 11980
195: ok 11981
195: ok 11982
195: ok 11983
195: ok 11984
195: ok 11985
195: ok 11986
195: ok 11987
195: ok 11988
195: ok 11989
195: ok 11990
195: ok 11991
195: ok 11992
195: ok 11993
195: ok 11994
195: ok 11995
195: ok 11996
195: ok 11997
195: ok 11998
195: ok 11999
195: ok 12000
195: ok 12001
195: ok 12002
195: ok 12003
195: ok 12004
195: ok 12005
195: ok 12006
195: ok 12007
195: ok 12008
195: ok 12009
195: ok 12010
195: ok 12011
195: ok 12012
195: ok 12013
195: ok 12014
195: ok 12015
195: ok 12016
195: ok 12017
195: ok 12018
195: ok 12019
195: ok 12020
195: ok 12021
195: ok 12022
195: ok 12023
195: ok 12024
195: ok 12025
195: ok 12026
195: ok 12027
195: ok 12028
195: ok 12029
195: ok 12030
195: ok 12031
195: ok 12032
195: ok 12033
195: ok 12034
195: ok 12035
195: ok 12036
195: ok 12037
195: ok 12038
195: ok 12039
195: ok 12040
195: ok 12041
195: ok 12042
195: ok 12043
195: ok 12044
195: ok 12045
195: ok 12046
195: ok 12047
195: ok 12048
195: ok 12049
195: ok 12050
195: ok 12051
195: ok 12052
195: ok 12053
195: ok 12054
195: ok 12055
195: ok 12056
195: ok 12057
195: ok 12058
195: ok 12059
195: ok 12060
195: ok 12061
195: ok 12062
195: ok 12063
195: ok 12064
195: ok 12065
195: ok 12066
195: ok 12067
195: ok 12068
195: ok 12069
195: ok 12070
195: ok 12071
195: ok 12072
195: ok 12073
195: ok 12074
195: ok 12075
195: ok 12076
195: ok 12077
195: ok 12078
195: ok 12079
195: ok 12080
195: ok 12081
195: ok 12082
195: ok 12083
195: ok 12084
195: ok 12085
195: ok 12086
195: ok 12087
195: ok 12088
195: ok 12089
195: ok 12090
195: ok 12091
195: ok 12092
195: ok 12093
195: ok 12094
195: ok 12095
195: ok 12096
195: ok 12097
195: ok 12098
195: ok 12099
195: ok 12100
195: ok 12101
195: ok 12102
195: ok 12103
195: ok 12104
195: ok 12105
195: ok 12106
195: ok 12107
195: ok 12108
195: ok 12109
195: ok 12110
195: ok 12111
195: ok 12112
195: ok 12113
195: ok 12114
195: ok 12115
195: ok 12116
195: ok 12117
195: ok 12118
195: ok 12119
195: ok 12120
195: ok 12121
195: ok 12122
195: ok 12123
195: ok 12124
195: ok 12125
195: ok 12126
195: ok 12127
195: ok 12128
195: ok 12129
195: ok 12130
195: ok 12131
195: ok 12132
195: ok 12133
195: ok 12134
195: ok 12135
195: ok 12136
195: ok 12137
195: ok 12138
195: ok 12139
195: ok 12140
195: ok 12141
195: ok 12142
195: ok 12143
195: ok 12144
195: ok 12145
195: ok 12146
195: ok 12147
195: ok 12148
195: ok 12149
195: ok 12150
195: ok 12151
195: ok 12152
195: ok 12153
195: ok 12154
195: ok 12155
195: ok 12156
195: ok 12157
195: ok 12158
195: ok 12159
195: ok 12160
195: ok 12161
195: ok 12162
195: ok 12163
195: ok 12164
195: ok 12165
195: ok 12166
195: ok 12167
195: ok 12168
195: ok 12169
195: ok 12170
195: ok 12171
195: ok 12172
195: ok 12173
195: ok 12174
195: ok 12175
195: ok 12176
195: ok 12177
195: ok 12178
195: ok 12179
195: ok 12180
195: ok 12181
195: ok 12182
195: ok 12183
195: ok 12184
195: ok 12185
195: ok 12186
195: ok 12187
195: ok 12188
195: ok 12189
195: ok 12190
195: ok 12191
195: ok 12192
195: ok 12193
195: ok 12194
195: ok 12195
195: ok 12196
195: ok 12197
195: ok 12198
195: ok 12199
195: ok 12200
195: ok 12201
195: ok 12202
195: ok 12203
195: ok 12204
195: ok 12205
195: ok 12206
195: ok 12207
195: ok 12208
195: ok 12209
195: ok 12210
195: ok 12211
195: ok 12212
195: ok 12213
195: ok 12214
195: ok 12215
195: ok 12216
195: ok 12217
195: ok 12218
195: ok 12219
195: ok 12220
195: ok 12221
195: ok 12222
195: ok 12223
195: ok 12224
195: ok 12225
195: ok 12226
195: ok 12227
195: ok 12228
195: ok 12229
195: ok 12230
195: ok 12231
195: ok 12232
195: ok 12233
195: ok 12234
195: ok 12235
195: ok 12236
195: ok 12237
195: ok 12238
195: ok 12239
195: ok 12240
195: ok 12241
195: ok 12242
195: ok 12243
195: ok 12244
195: ok 12245
195: ok 12246
195: ok 12247
195: ok 12248
195: ok 12249
195: ok 12250
195: ok 12251
195: ok 12252
195: ok 12253
195: ok 12254
195: ok 12255
195: ok 12256
195: ok 12257
195: ok 12258
195: ok 12259
195: ok 12260
195: ok 12261
195: ok 12262
195: ok 12263
195: ok 12264
195: ok 12265
195: ok 12266
195: ok 12267
195: ok 12268
195: ok 12269
195: ok 12270
195: ok 12271
195: ok 12272
195: ok 12273
195: ok 12274
195: ok 12275
195: ok 12276
195: ok 12277
195: ok 12278
195: ok 12279
195: ok 12280
195: ok 12281
195: ok 12282
195: ok 12283
195: ok 12284
195: ok 12285
195: ok 12286
195: ok 12287
195: ok 12288
195: ok 12289
195: ok 12290
195: ok 12291
195: ok 12292
195: ok 12293
195: ok 12294
195: ok 12295
195: ok 12296
195: ok 12297
195: ok 12298
195: ok 12299
195: ok 12300
195: ok 12301
195: ok 12302
195: ok 12303
195: ok 12304
195: ok 12305
195: ok 12306
195: ok 12307
195: ok 12308
195: ok 12309
195: ok 12310
195: ok 12311
195: ok 12312
195: ok 12313
195: ok 12314
195: ok 12315
195: ok 12316
195: ok 12317
195: ok 12318
195: ok 12319
195: ok 12320
195: ok 12321
195: ok 12322
195: ok 12323
195: ok 12324
195: ok 12325
195: ok 12326
195: ok 12327
195: ok 12328
195: ok 12329
195: ok 12330
195: ok 12331
195: ok 12332
195: ok 12333
195: ok 12334
195: ok 12335
195: ok 12336
195: ok 12337
195: ok 12338
195: ok 12339
195: ok 12340
195: ok 12341
195: ok 12342
195: ok 12343
195: ok 12344
195: ok 12345
195: ok 12346
195: ok 12347
195: ok 12348
195: ok 12349
195: ok 12350
195: ok 12351
195: ok 12352
195: ok 12353
195: ok 12354
195: ok 12355
195: ok 12356
195: ok 12357
195: ok 12358
195: ok 12359
195: ok 12360
195: ok 12361
195: ok 12362
195: ok 12363
195: ok 12364
195: ok 12365
195: ok 12366
195: ok 12367
195: ok 12368
195: ok 12369
195: ok 12370
195: ok 12371
195: ok 12372
195: ok 12373
195: ok 12374
195: ok 12375
195: ok 12376
195: ok 12377
195: ok 12378
195: ok 12379
195: ok 12380
195: ok 12381
195: ok 12382
195: ok 12383
195: ok 12384
195: ok 12385
195: ok 12386
195: ok 12387
195: ok 12388
195: ok 12389
195: ok 12390
195: ok 12391
195: ok 12392
195: ok 12393
195: ok 12394
195: ok 12395
195: ok 12396
195: ok 12397
195: ok 12398
195: ok 12399
195: ok 12400
195: ok 12401
195: ok 12402
195: ok 12403
195: ok 12404
195: ok 12405
195: ok 12406
195: ok 12407
195: ok 12408
195: ok 12409
195: ok 12410
195: ok 12411
195: ok 12412
195: ok 12413
195: ok 12414
195: ok 12415
195: ok 12416
195: ok 12417
195: ok 12418
195: ok 12419
195: ok 12420
195: ok 12421
195: ok 12422
195: ok 12423
195: ok 12424
195: ok 12425
195: ok 12426
195: ok 12427
195: ok 12428
195: ok 12429
195: ok 12430
195: ok 12431
195: ok 12432
195: ok 12433
195: ok 12434
195: ok 12435
195: ok 12436
195: ok 12437
195: ok 12438
195: ok 12439
195: ok 12440
195: ok 12441
195: ok 12442
195: ok 12443
195: ok 12444
195: ok 12445
195: ok 12446
195: ok 12447
195: ok 12448
195: ok 12449
195: ok 12450
195: ok 12451
195: ok 12452
195: ok 12453
195: ok 12454
195: ok 12455
195: ok 12456
195: ok 12457
195: ok 12458
195: ok 12459
195: ok 12460
195: ok 12461
195: ok 12462
195: ok 12463
195: ok 12464
195: ok 12465
195: ok 12466
195: ok 12467
195: ok 12468
195: ok 12469
195: ok 12470
195: ok 12471
195: ok 12472
195: ok 12473
195: ok 12474
195: ok 12475
195: ok 12476
195: ok 12477
195: ok 12478
195: ok 12479
195: ok 12480
195: ok 12481
195: ok 12482
195: ok 12483
195: ok 12484
195: ok 12485
195: ok 12486
195: ok 12487
195: ok 12488
195: ok 12489
195: ok 12490
195: ok 12491
195: ok 12492
195: ok 12493
195: ok 12494
195: ok 12495
195: ok 12496
195: ok 12497
195: ok 12498
195: ok 12499
195: ok 12500
195: ok 12501
195: ok 12502
195: ok 12503
195: ok 12504
195: ok 12505
195: ok 12506
195: ok 12507
195: ok 12508
195: ok 12509
195: ok 12510
195: ok 12511
195: ok 12512
195: ok 12513
195: ok 12514
195: ok 12515
195: ok 12516
195: ok 12517
195: ok 12518
195: ok 12519
195: ok 12520
195: ok 12521
195: ok 12522
195: ok 12523
195: ok 12524
195: ok 12525
195: ok 12526
195: ok 12527
195: ok 12528
195: ok 12529
195: ok 12530
195: ok 12531
195: ok 12532
195: ok 12533
195: ok 12534
195: ok 12535
195: ok 12536
195: ok 12537
195: ok 12538
195: ok 12539
195: ok 12540
195: ok 12541
195: ok 12542
195: ok 12543
195: ok 12544
195: ok 12545
195: ok 12546
195: ok 12547
195: ok 12548
195: ok 12549
195: ok 12550
195: ok 12551
195: ok 12552
195: ok 12553
195: ok 12554
195: ok 12555
195: ok 12556
195: ok 12557
195: ok 12558
195: ok 12559
195: ok 12560
195: ok 12561
195: ok 12562
195: ok 12563
195: ok 12564
195: ok 12565
195: ok 12566
195: ok 12567
195: ok 12568
195: ok 12569
195: ok 12570
195: ok 12571
195: ok 12572
195: ok 12573
195: ok 12574
195: ok 12575
195: ok 12576
195: ok 12577
195: ok 12578
195: ok 12579
195: ok 12580
195: ok 12581
195: ok 12582
195: ok 12583
195: ok 12584
195: ok 12585
195: ok 12586
195: ok 12587
195: ok 12588
195: ok 12589
195: ok 12590
195: ok 12591
195: ok 12592
195: ok 12593
195: ok 12594
195: ok 12595
195: ok 12596
195: ok 12597
195: ok 12598
195: ok 12599
195: ok 12600
195: ok 12601
195: ok 12602
195: ok 12603
195: ok 12604
195: ok 12605
195: ok 12606
195: ok 12607
195: ok 12608
195: ok 12609
195: ok 12610
195: ok 12611
195: ok 12612
195: ok 12613
195: ok 12614
195: ok 12615
195: ok 12616
195: ok 12617
195: ok 12618
195: ok 12619
195: ok 12620
195: ok 12621
195: ok 12622
195: ok 12623
195: ok 12624
195: ok 12625
195: ok 12626
195: ok 12627
195: ok 12628
195: ok 12629
195: ok 12630
195: ok 12631
195: ok 12632
195: ok 12633
195: ok 12634
195: ok 12635
195: ok 12636
195: ok 12637
195: ok 12638
195: ok 12639
195: ok 12640
195: ok 12641
195: ok 12642
195: ok 12643
195: ok 12644
195: ok 12645
195: ok 12646
195: ok 12647
195: ok 12648
195: ok 12649
195: ok 12650
195: ok 12651
195: ok 12652
195: ok 12653
195: ok 12654
195: ok 12655
195: ok 12656
195: ok 12657
195: ok 12658
195: ok 12659
195: ok 12660
195: ok 12661
195: ok 12662
195: ok 12663
195: ok 12664
195: ok 12665
195: ok 12666
195: ok 12667
195: ok 12668
195: ok 12669
195: ok 12670
195: ok 12671
195: ok 12672
195: ok 12673
195: ok 12674
195: ok 12675
195: ok 12676
195: ok 12677
195: ok 12678
195: ok 12679
195: ok 12680
195: ok 12681
195: ok 12682
195: ok 12683
195: ok 12684
195: ok 12685
195: ok 12686
195: ok 12687
195: ok 12688
195: ok 12689
195: ok 12690
195: ok 12691
195: ok 12692
195: ok 12693
195: ok 12694
195: ok 12695
195: ok 12696
195: ok 12697
195: ok 12698
195: ok 12699
195: ok 12700
195: ok 12701
195: ok 12702
195: ok 12703
195: ok 12704
195: ok 12705
195: ok 12706
195: ok 12707
195: ok 12708
195: ok 12709
195: ok 12710
195: ok 12711
195: ok 12712
195: ok 12713
195: ok 12714
195: ok 12715
195: ok 12716
195: ok 12717
195: ok 12718
195: ok 12719
195: ok 12720
195: ok 12721
195: ok 12722
195: ok 12723
195: ok 12724
195: ok 12725
195: ok 12726
195: ok 12727
195: ok 12728
195: ok 12729
195: ok 12730
195: ok 12731
195: ok 12732
195: ok 12733
195: ok 12734
195: ok 12735
195: ok 12736
195: ok 12737
195: ok 12738
195: ok 12739
195: ok 12740
195: ok 12741
195: ok 12742
195: ok 12743
195: ok 12744
195: ok 12745
195: ok 12746
195: ok 12747
195: ok 12748
195: ok 12749
195: ok 12750
195: ok 12751
195: ok 12752
195: ok 12753
195: ok 12754
195: ok 12755
195: ok 12756
195: ok 12757
195: ok 12758
195: ok 12759
195: ok 12760
195: ok 12761
195: ok 12762
195: ok 12763
195: ok 12764
195: ok 12765
195: ok 12766
195: ok 12767
195: ok 12768
195: ok 12769
195: ok 12770
195: ok 12771
195: ok 12772
195: ok 12773
195: ok 12774
195: ok 12775
195: ok 12776
195: ok 12777
195: ok 12778
195: ok 12779
195: ok 12780
195: ok 12781
195: ok 12782
195: ok 12783
195: ok 12784
195: ok 12785
195: ok 12786
195: ok 12787
195: ok 12788
195: ok 12789
195: ok 12790
195: ok 12791
195: ok 12792
195: ok 12793
195: ok 12794
195: ok 12795
195: ok 12796
195: ok 12797
195: ok 12798
195: ok 12799
195: ok 12800
195: ok 12801
195: ok 12802
195: ok 12803
195: ok 12804
195: ok 12805
195: ok 12806
195: ok 12807
195: ok 12808
195: ok 12809
195: ok 12810
195: ok 12811
195: ok 12812
195: ok 12813
195: ok 12814
195: ok 12815
195: ok 12816
195: ok 12817
195: ok 12818
195: ok 12819
195: ok 12820
195: ok 12821
195: ok 12822
195: ok 12823
195: ok 12824
195: ok 12825
195: ok 12826
195: ok 12827
195: ok 12828
195: ok 12829
195: ok 12830
195: ok 12831
195: ok 12832
195: ok 12833
195: ok 12834
195: ok 12835
195: ok 12836
195: ok 12837
195: ok 12838
195: ok 12839
195: ok 12840
195: ok 12841
195: ok 12842
195: ok 12843
195: ok 12844
195: ok 12845
195: ok 12846
195: ok 12847
195: ok 12848
195: ok 12849
195: ok 12850
195: ok 12851
195: ok 12852
195: ok 12853
195: ok 12854
195: ok 12855
195: ok 12856
195: ok 12857
195: ok 12858
195: ok 12859
195: ok 12860
195: ok 12861
195: ok 12862
195: ok 12863
195: ok 12864
195: ok 12865
195: ok 12866
195: ok 12867
195: ok 12868
195: ok 12869
195: ok 12870
195: ok 12871
195: ok 12872
195: ok 12873
195: ok 12874
195: ok 12875
195: ok 12876
195: ok 12877
195: ok 12878
195: ok 12879
195: ok 12880
195: ok 12881
195: ok 12882
195: ok 12883
195: ok 12884
195: ok 12885
195: ok 12886
195: ok 12887
195: ok 12888
195: ok 12889
195: ok 12890
195: ok 12891
195: ok 12892
195: ok 12893
195: ok 12894
195: ok 12895
195: ok 12896
195: ok 12897
195: ok 12898
195: ok 12899
195: ok 12900
195: ok 12901
195: ok 12902
195: ok 12903
195: ok 12904
195: ok 12905
195: ok 12906
195: ok 12907
195: ok 12908
195: ok 12909
195: ok 12910
195: ok 12911
195: ok 12912
195: ok 12913
195: ok 12914
195: ok 12915
195: ok 12916
195: ok 12917
195: ok 12918
195: ok 12919
195: ok 12920
195: ok 12921
195: ok 12922
195: ok 12923
195: ok 12924
195: ok 12925
195: ok 12926
195: ok 12927
195: ok 12928
195: ok 12929
195: ok 12930
195: ok 12931
195: ok 12932
195: ok 12933
195: ok 12934
195: ok 12935
195: ok 12936
195: ok 12937
195: ok 12938
195: ok 12939
195: ok 12940
195: ok 12941
195: ok 12942
195: ok 12943
195: ok 12944
195: ok 12945
195: ok 12946
195: ok 12947
195: ok 12948
195: ok 12949
195: ok 12950
195: ok 12951
195: ok 12952
195: ok 12953
195: ok 12954
195: ok 12955
195: ok 12956
195: ok 12957
195: ok 12958
195: ok 12959
195: ok 12960
195: ok 12961
195: ok 12962
195: ok 12963
195: ok 12964
195: ok 12965
195: ok 12966
195: ok 12967
195: ok 12968
195: ok 12969
195: ok 12970
195: ok 12971
195: ok 12972
195: ok 12973
195: ok 12974
195: ok 12975
195: ok 12976
195: ok 12977
195: ok 12978
195: ok 12979
195: ok 12980
195: ok 12981
195: ok 12982
195: ok 12983
195: ok 12984
195: ok 12985
195: ok 12986
195: ok 12987
195: ok 12988
195: ok 12989
195: ok 12990
195: ok 12991
195: ok 12992
195: ok 12993
195: ok 12994
195: ok 12995
195: ok 12996
195: ok 12997
195: ok 12998
195: ok 12999
195: ok 13000
195: ok 13001
195: ok 13002
195: ok 13003
195: ok 13004
195: ok 13005
195: ok 13006
195: ok 13007
195: ok 13008
195: ok 13009
195: ok 13010
195: ok 13011
195: ok 13012
195: ok 13013
195: ok 13014
195: ok 13015
195: ok 13016
195: ok 13017
195: ok 13018
195: ok 13019
195: ok 13020
195: ok 13021
195: ok 13022
195: ok 13023
195: ok 13024
195: ok 13025
195: ok 13026
195: ok 13027
195: ok 13028
195: ok 13029
195: ok 13030
195: ok 13031
195: ok 13032
195: ok 13033
195: ok 13034
195: ok 13035
195: ok 13036
195: ok 13037
195: ok 13038
195: ok 13039
195: ok 13040
195: ok 13041
195: ok 13042
195: ok 13043
195: ok 13044
195: ok 13045
195: ok 13046
195: ok 13047
195: ok 13048
195: ok 13049
195: ok 13050
195: ok 13051
195: ok 13052
195: ok 13053
195: ok 13054
195: ok 13055
195: ok 13056
195: ok 13057
195: ok 13058
195: ok 13059
195: ok 13060
195: ok 13061
195: ok 13062
195: ok 13063
195: ok 13064
195: ok 13065
195: ok 13066
195: ok 13067
195: ok 13068
195: ok 13069
195: ok 13070
195: ok 13071
195: ok 13072
195: ok 13073
195: ok 13074
195: ok 13075
195: ok 13076
195: ok 13077
195: ok 13078
195: ok 13079
195: ok 13080
195: ok 13081
195: ok 13082
195: ok 13083
195: ok 13084
195: ok 13085
195: ok 13086
195: ok 13087
195: ok 13088
195: ok 13089
195: ok 13090
195: ok 13091
195: ok 13092
195: ok 13093
195: ok 13094
195: ok 13095
195: ok 13096
195: ok 13097
195: ok 13098
195: ok 13099
195: ok 13100
195: ok 13101
195: ok 13102
195: ok 13103
195: ok 13104
195: ok 13105
195: ok 13106
195: ok 13107
195: ok 13108
195: ok 13109
195: ok 13110
195: ok 13111
195: ok 13112
195: ok 13113
195: ok 13114
195: ok 13115
195: ok 13116
195: ok 13117
195: ok 13118
195: ok 13119
195: ok 13120
195: ok 13121
195: ok 13122
195: ok 13123
195: ok 13124
195: ok 13125
195: ok 13126
195: ok 13127
195: ok 13128
195: ok 13129
195: ok 13130
195: ok 13131
195: ok 13132
195: ok 13133
195: ok 13134
195: ok 13135
195: ok 13136
195: ok 13137
195: ok 13138
195: ok 13139
195: ok 13140
195: ok 13141
195: ok 13142
195: ok 13143
195: ok 13144
195: ok 13145
195: ok 13146
195: ok 13147
195: ok 13148
195: ok 13149
195: ok 13150
195: ok 13151
195: ok 13152
195: ok 13153
195: ok 13154
195: ok 13155
195: ok 13156
195: ok 13157
195: ok 13158
195: ok 13159
195: ok 13160
195: ok 13161
195: ok 13162
195: ok 13163
195: ok 13164
195: ok 13165
195: ok 13166
195: ok 13167
195: ok 13168
195: ok 13169
195: ok 13170
195: ok 13171
195: ok 13172
195: ok 13173
195: ok 13174
195: ok 13175
195: ok 13176
195: ok 13177
195: ok 13178
195: ok 13179
195: ok 13180
195: ok 13181
195: ok 13182
195: ok 13183
195: ok 13184
195: ok 13185
195: ok 13186
195: ok 13187
195: ok 13188
195: ok 13189
195: ok 13190
195: ok 13191
195: ok 13192
195: ok 13193
195: ok 13194
195: ok 13195
195: ok 13196
195: ok 13197
195: ok 13198
195: ok 13199
195: ok 13200
195: ok 13201
195: ok 13202
195: ok 13203
195: ok 13204
195: ok 13205
195: ok 13206
195: ok 13207
195: ok 13208
195: ok 13209
195: ok 13210
195: ok 13211
195: ok 13212
195: ok 13213
195: ok 13214
195: ok 13215
195: ok 13216
195: ok 13217
195: ok 13218
195: ok 13219
195: ok 13220
195: ok 13221
195: ok 13222
195: ok 13223
195: ok 13224
195: ok 13225
195: ok 13226
195: ok 13227
195: ok 13228
195: ok 13229
195: ok 13230
195: ok 13231
195: ok 13232
195: ok 13233
195: ok 13234
195: ok 13235
195: ok 13236
195: ok 13237
195: ok 13238
195: ok 13239
195: ok 13240
195: ok 13241
195: ok 13242
195: ok 13243
195: ok 13244
195: ok 13245
195: ok 13246
195: ok 13247
195: ok 13248
195: ok 13249
195: ok 13250
195: ok 13251
195: ok 13252
195: ok 13253
195: ok 13254
195: ok 13255
195: ok 13256
195: ok 13257
195: ok 13258
195: ok 13259
195: ok 13260
195: ok 13261
195: ok 13262
195: ok 13263
195: ok 13264
195: ok 13265
195: ok 13266
195: ok 13267
195: ok 13268
195: ok 13269
195: ok 13270
195: ok 13271
195: ok 13272
195: ok 13273
195: ok 13274
195: ok 13275
195: ok 13276
195: ok 13277
195: ok 13278
195: ok 13279
195: ok 13280
195: ok 13281
195: ok 13282
195: ok 13283
195: ok 13284
195: ok 13285
195: ok 13286
195: ok 13287
195: ok 13288
195: ok 13289
195: ok 13290
195: ok 13291
195: ok 13292
195: ok 13293
195: ok 13294
195: ok 13295
195: ok 13296
195: ok 13297
195: ok 13298
195: ok 13299
195: ok 13300
195: ok 13301
195: ok 13302
195: ok 13303
195: ok 13304
195: ok 13305
195: ok 13306
195: ok 13307
195: ok 13308
195: ok 13309
195: ok 13310
195: ok 13311
195: ok 13312
195: ok 13313
195: ok 13314
195: ok 13315
195: ok 13316
195: ok 13317
195: ok 13318
195: ok 13319
195: ok 13320
195: ok 13321
195: ok 13322
195: ok 13323
195: ok 13324
195: ok 13325
195: ok 13326
195: ok 13327
195: ok 13328
195: ok 13329
195: ok 13330
195: ok 13331
195: ok 13332
195: ok 13333
195: ok 13334
195: ok 13335
195: ok 13336
195: ok 13337
195: ok 13338
195: ok 13339
195: ok 13340
195: ok 13341
195: ok 13342
195: ok 13343
195: ok 13344
195: ok 13345
195: ok 13346
195: ok 13347
195: ok 13348
195: ok 13349
195: ok 13350
195: ok 13351
195: ok 13352
195: ok 13353
195: ok 13354
195: ok 13355
195: ok 13356
195: ok 13357
195: ok 13358
195: ok 13359
195: ok 13360
195: ok 13361
195: ok 13362
195: ok 13363
195: ok 13364
195: ok 13365
195: ok 13366
195: ok 13367
195: ok 13368
195: ok 13369
195: ok 13370
195: ok 13371
195: ok 13372
195: ok 13373
195: ok 13374
195: ok 13375
195: ok 13376
195: ok 13377
195: ok 13378
195: ok 13379
195: ok 13380
195: ok 13381
195: ok 13382
195: ok 13383
195: ok 13384
195: ok 13385
195: ok 13386
195: ok 13387
195: ok 13388
195: ok 13389
195: ok 13390
195: ok 13391
195: ok 13392
195: ok 13393
195: ok 13394
195: ok 13395
195: ok 13396
195: ok 13397
195: ok 13398
195: ok 13399
195: ok 13400
195: ok 13401
195: ok 13402
195: ok 13403
195: ok 13404
195: ok 13405
195: ok 13406
195: ok 13407
195: ok 13408
195: ok 13409
195: ok 13410
195: ok 13411
195: ok 13412
195: ok 13413
195: ok 13414
195: ok 13415
195: ok 13416
195: ok 13417
195: ok 13418
195: ok 13419
195: ok 13420
195: ok 13421
195: ok 13422
195: ok 13423
195: ok 13424
195: ok 13425
195: ok 13426
195: ok 13427
195: ok 13428
195: ok 13429
195: ok 13430
195: ok 13431
195: ok 13432
195: ok 13433
195: ok 13434
195: ok 13435
195: ok 13436
195: ok 13437
195: ok 13438
195: ok 13439
195: ok 13440
195: ok 13441
195: ok 13442
195: ok 13443
195: ok 13444
195: ok 13445
195: ok 13446
195: ok 13447
195: ok 13448
195: ok 13449
195: ok 13450
195: ok 13451
195: ok 13452
195: ok 13453
195: ok 13454
195: ok 13455
195: ok 13456
195: ok 13457
195: ok 13458
195: ok 13459
195: ok 13460
195: ok 13461
195: ok 13462
195: ok 13463
195: ok 13464
195: ok 13465
195: ok 13466
195: ok 13467
195: ok 13468
195: ok 13469
195: ok 13470
195: ok 13471
195: ok 13472
195: ok 13473
195: ok 13474
195: ok 13475
195: ok 13476
195: ok 13477
195: ok 13478
195: ok 13479
195: ok 13480
195: ok 13481
195: ok 13482
195: ok 13483
195: ok 13484
195: ok 13485
195: ok 13486
195: ok 13487
195: ok 13488
195: ok 13489
195: ok 13490
195: ok 13491
195: ok 13492
195: ok 13493
195: ok 13494
195: ok 13495
195: ok 13496
195: ok 13497
195: ok 13498
195: ok 13499
195: ok 13500
195: ok 13501
195: ok 13502
195: ok 13503
195: ok 13504
195: ok 13505
195: ok 13506
195: ok 13507
195: ok 13508
195: ok 13509
195: ok 13510
195: ok 13511
195: ok 13512
195: ok 13513
195: ok 13514
195: ok 13515
195: ok 13516
195: ok 13517
195: ok 13518
195: ok 13519
195: ok 13520
195: ok 13521
195: ok 13522
195: ok 13523
195: ok 13524
195: ok 13525
195: ok 13526
195: ok 13527
195: ok 13528
195: ok 13529
195: ok 13530
195: ok 13531
195: ok 13532
195: ok 13533
195: ok 13534
195: ok 13535
195: ok 13536
195: ok 13537
195: ok 13538
195: ok 13539
195: ok 13540
195: ok 13541
195: ok 13542
195: ok 13543
195: ok 13544
195: ok 13545
195: ok 13546
195: ok 13547
195: ok 13548
195: ok 13549
195: ok 13550
195: ok 13551
195: ok 13552
195: ok 13553
195: ok 13554
195: ok 13555
195: ok 13556
195: ok 13557
195: ok 13558
195: ok 13559
195: ok 13560
195: ok 13561
195: ok 13562
195: ok 13563
195: ok 13564
195: ok 13565
195: ok 13566
195: ok 13567
195: ok 13568
195: ok 13569
195: ok 13570
195: ok 13571
195: ok 13572
195: ok 13573
195: ok 13574
195: ok 13575
195: ok 13576
195: ok 13577
195: ok 13578
195: ok 13579
195: ok 13580
195: ok 13581
195: ok 13582
195: ok 13583
195: ok 13584
195: ok 13585
195: ok 13586
195: ok 13587
195: ok 13588
195: ok 13589
195: ok 13590
195: ok 13591
195: ok 13592
195: ok 13593
195: ok 13594
195: ok 13595
195: ok 13596
195: ok 13597
195: ok 13598
195: ok 13599
195: ok 13600
195: ok 13601
195: ok 13602
195: ok 13603
195: ok 13604
195: ok 13605
195: ok 13606
195: ok 13607
195: ok 13608
195: ok 13609
195: ok 13610
195: ok 13611
195: ok 13612
195: ok 13613
195: ok 13614
195: ok 13615
195: ok 13616
195: ok 13617
195: ok 13618
195: ok 13619
195: ok 13620
195: ok 13621
195: ok 13622
195: ok 13623
195: ok 13624
195: ok 13625
195: ok 13626
195: ok 13627
195: ok 13628
195: ok 13629
195: ok 13630
195: ok 13631
195: ok 13632
195: ok 13633
195: ok 13634
195: ok 13635
195: ok 13636
195: ok 13637
195: ok 13638
195: ok 13639
195: ok 13640
195: ok 13641
195: ok 13642
195: ok 13643
195: ok 13644
195: ok 13645
195: ok 13646
195: ok 13647
195: ok 13648
195: ok 13649
195: ok 13650
195: ok 13651
195: ok 13652
195: ok 13653
195: ok 13654
195: ok 13655
195: ok 13656
195: ok 13657
195: ok 13658
195: ok 13659
195: ok 13660
195: ok 13661
195: ok 13662
195: ok 13663
195: ok 13664
195: ok 13665
195: ok 13666
195: ok 13667
195: ok 13668
195: ok 13669
195: ok 13670
195: ok 13671
195: ok 13672
195: ok 13673
195: ok 13674
195: ok 13675
195: ok 13676
195: ok 13677
195: ok 13678
195: ok 13679
195: ok 13680
195: ok 13681
195: ok 13682
195: ok 13683
195: ok 13684
195: ok 13685
195: ok 13686
195: ok 13687
195: ok 13688
195: ok 13689
195: ok 13690
195: ok 13691
195: ok 13692
195: ok 13693
195: ok 13694
195: ok 13695
195: ok 13696
195: ok 13697
195: ok 13698
195: ok 13699
195: ok 13700
195: ok 13701
195: ok 13702
195: ok 13703
195: ok 13704
195: ok 13705
195: ok 13706
195: ok 13707
195: ok 13708
195: ok 13709
195: ok 13710
195: ok 13711
195: ok 13712
195: ok 13713
195: ok 13714
195: ok 13715
195: ok 13716
195: ok 13717
195: ok 13718
195: ok 13719
195: ok 13720
195: ok 13721
195: ok 13722
195: ok 13723
195: ok 13724
195: ok 13725
195: ok 13726
195: ok 13727
195: ok 13728
195: ok 13729
195: ok 13730
195: ok 13731
195: ok 13732
195: ok 13733
195: ok 13734
195: ok 13735
195: ok 13736
195: ok 13737
195: ok 13738
195: ok 13739
195: ok 13740
195: ok 13741
195: ok 13742
195: ok 13743
195: ok 13744
195: ok 13745
195: ok 13746
195: ok 13747
195: ok 13748
195: ok 13749
195: ok 13750
195: ok 13751
195: ok 13752
195: ok 13753
195: ok 13754
195: ok 13755
195: ok 13756
195: ok 13757
195: ok 13758
195: ok 13759
195: ok 13760
195: ok 13761
195: ok 13762
195: ok 13763
195: ok 13764
195: ok 13765
195: ok 13766
195: ok 13767
195: ok 13768
195: ok 13769
195: ok 13770
195: ok 13771
195: ok 13772
195: ok 13773
195: ok 13774
195: ok 13775
195: ok 13776
195: ok 13777
195: ok 13778
195: ok 13779
195: ok 13780
195: ok 13781
195: ok 13782
195: ok 13783
195: ok 13784
195: ok 13785
195: ok 13786
195: ok 13787
195: ok 13788
195: ok 13789
195: ok 13790
195: ok 13791
195: ok 13792
195: ok 13793
195: ok 13794
195: ok 13795
195: ok 13796
195: ok 13797
195: ok 13798
195: ok 13799
195: ok 13800
195: ok 13801
195: ok 13802
195: ok 13803
195: ok 13804
195: ok 13805
195: ok 13806
195: ok 13807
195: ok 13808
195: ok 13809
195: ok 13810
195: ok 13811
195: ok 13812
195: ok 13813
195: ok 13814
195: ok 13815
195: ok 13816
195: ok 13817
195: ok 13818
195: ok 13819
195: ok 13820
195: ok 13821
195: ok 13822
195: ok 13823
195: ok 13824
195: ok 13825
195: ok 13826
195: ok 13827
195: ok 13828
195: ok 13829
195: ok 13830
195: ok 13831
195: ok 13832
195: ok 13833
195: ok 13834
195: ok 13835
195: ok 13836
195: ok 13837
195: ok 13838
195: ok 13839
195: ok 13840
195: ok 13841
195: ok 13842
195: ok 13843
195: ok 13844
195: ok 13845
195: ok 13846
195: ok 13847
195: ok 13848
195: ok 13849
195: ok 13850
195: ok 13851
195: ok 13852
195: ok 13853
195: ok 13854
195: ok 13855
195: ok 13856
195: ok 13857
195: ok 13858
195: ok 13859
195: ok 13860
195: ok 13861
195: ok 13862
195: ok 13863
195: ok 13864
195: ok 13865
195: ok 13866
195: ok 13867
195: ok 13868
195: ok 13869
195: ok 13870
195: ok 13871
195: ok 13872
195: ok 13873
195: ok 13874
195: ok 13875
195: ok 13876
195: ok 13877
195: ok 13878
195: ok 13879
195: ok 13880
195: ok 13881
195: ok 13882
195: ok 13883
195: ok 13884
195: ok 13885
195: ok 13886
195: ok 13887
195: ok 13888
195: ok 13889
195: ok 13890
195: ok 13891
195: ok 13892
195: ok 13893
195: ok 13894
195: ok 13895
195: ok 13896
195: ok 13897
195: ok 13898
195: ok 13899
195: ok 13900
195: ok 13901
195: ok 13902
195: ok 13903
195: ok 13904
195: ok 13905
195: ok 13906
195: ok 13907
195: ok 13908
195: ok 13909
195: ok 13910
195: ok 13911
195: ok 13912
195: ok 13913
195: ok 13914
195: ok 13915
195: ok 13916
195: ok 13917
195: ok 13918
195: ok 13919
195: ok 13920
195: ok 13921
195: ok 13922
195: ok 13923
195: ok 13924
195: ok 13925
195: ok 13926
195: ok 13927
195: ok 13928
195: ok 13929
195: ok 13930
195: ok 13931
195: ok 13932
195: ok 13933
195: ok 13934
195: ok 13935
195: ok 13936
195: ok 13937
195: ok 13938
195: ok 13939
195: ok 13940
195: ok 13941
195: ok 13942
195: ok 13943
195: ok 13944
195: ok 13945
195: ok 13946
195: ok 13947
195: ok 13948
195: ok 13949
195: ok 13950
195: ok 13951
195: ok 13952
195: ok 13953
195: ok 13954
195: ok 13955
195: ok 13956
195: ok 13957
195: ok 13958
195: ok 13959
195: ok 13960
195: ok 13961
195: ok 13962
195: ok 13963
195: ok 13964
195: ok 13965
195: ok 13966
195: ok 13967
195: ok 13968
195: ok 13969
195: ok 13970
195: ok 13971
195: ok 13972
195: ok 13973
195: ok 13974
195: ok 13975
195: ok 13976
195: ok 13977
195: ok 13978
195: ok 13979
195: ok 13980
195: ok 13981
195: ok 13982
195: ok 13983
195: ok 13984
195: ok 13985
195: ok 13986
195: ok 13987
195: ok 13988
195: ok 13989
195: ok 13990
195: ok 13991
195: ok 13992
195: ok 13993
195: ok 13994
195: ok 13995
195: ok 13996
195: ok 13997
195: ok 13998
195: ok 13999
195: ok 14000
195: # math: passed testArithmeticOperators
195: # math: entering testDistancesAnglesOrthogonality
195: ok 14001
195: ok 14002
195: ok 14003
195: ok 14004
195: ok 14005
195: ok 14006
195: ok 14007
195: ok 14008
195: ok 14009
195: ok 14010
195: ok 14011
195: ok 14012
195: ok 14013
195: ok 14014
195: ok 14015
195: ok 14016
195: ok 14017
195: ok 14018
195: ok 14019
195: ok 14020
195: ok 14021
195: ok 14022
195: ok 14023
195: ok 14024
195: ok 14025
195: ok 14026
195: ok 14027
195: ok 14028
195: ok 14029
195: ok 14030
195: ok 14031
195: ok 14032
195: ok 14033
195: ok 14034
195: ok 14035
195: ok 14036
195: ok 14037
195: ok 14038
195: ok 14039
195: ok 14040
195: ok 14041
195: ok 14042
195: ok 14043
195: ok 14044
195: ok 14045
195: ok 14046
195: ok 14047
195: ok 14048
195: ok 14049
195: ok 14050
195: ok 14051
195: ok 14052
195: ok 14053
195: ok 14054
195: ok 14055
195: ok 14056
195: ok 14057
195: ok 14058
195: ok 14059
195: ok 14060
195: ok 14061
195: ok 14062
195: ok 14063
195: ok 14064
195: ok 14065
195: ok 14066
195: ok 14067
195: ok 14068
195: ok 14069
195: ok 14070
195: ok 14071
195: ok 14072
195: ok 14073
195: ok 14074
195: ok 14075
195: ok 14076
195: ok 14077
195: ok 14078
195: ok 14079
195: ok 14080
195: ok 14081
195: ok 14082
195: ok 14083
195: ok 14084
195: ok 14085
195: ok 14086
195: ok 14087
195: ok 14088
195: ok 14089
195: ok 14090
195: ok 14091
195: ok 14092
195: ok 14093
195: ok 14094
195: ok 14095
195: ok 14096
195: ok 14097
195: ok 14098
195: ok 14099
195: ok 14100
195: ok 14101
195: ok 14102
195: ok 14103
195: ok 14104
195: ok 14105
195: ok 14106
195: ok 14107
195: ok 14108
195: ok 14109
195: ok 14110
195: ok 14111
195: ok 14112
195: ok 14113
195: ok 14114
195: ok 14115
195: ok 14116
195: ok 14117
195: ok 14118
195: ok 14119
195: ok 14120
195: ok 14121
195: ok 14122
195: ok 14123
195: ok 14124
195: ok 14125
195: ok 14126
195: ok 14127
195: ok 14128
195: ok 14129
195: ok 14130
195: ok 14131
195: ok 14132
195: ok 14133
195: ok 14134
195: ok 14135
195: ok 14136
195: ok 14137
195: ok 14138
195: ok 14139
195: ok 14140
195: ok 14141
195: ok 14142
195: ok 14143
195: ok 14144
195: ok 14145
195: ok 14146
195: ok 14147
195: ok 14148
195: ok 14149
195: ok 14150
195: ok 14151
195: ok 14152
195: ok 14153
195: ok 14154
195: ok 14155
195: ok 14156
195: ok 14157
195: ok 14158
195: ok 14159
195: ok 14160
195: ok 14161
195: ok 14162
195: ok 14163
195: ok 14164
195: ok 14165
195: ok 14166
195: ok 14167
195: ok 14168
195: ok 14169
195: ok 14170
195: ok 14171
195: ok 14172
195: ok 14173
195: ok 14174
195: ok 14175
195: ok 14176
195: ok 14177
195: ok 14178
195: ok 14179
195: ok 14180
195: ok 14181
195: ok 14182
195: ok 14183
195: ok 14184
195: ok 14185
195: ok 14186
195: ok 14187
195: ok 14188
195: ok 14189
195: ok 14190
195: ok 14191
195: ok 14192
195: ok 14193
195: ok 14194
195: ok 14195
195: ok 14196
195: ok 14197
195: ok 14198
195: ok 14199
195: ok 14200
195: ok 14201
195: ok 14202
195: ok 14203
195: ok 14204
195: ok 14205
195: ok 14206
195: ok 14207
195: ok 14208
195: ok 14209
195: ok 14210
195: ok 14211
195: ok 14212
195: ok 14213
195: ok 14214
195: ok 14215
195: ok 14216
195: ok 14217
195: ok 14218
195: ok 14219
195: ok 14220
195: ok 14221
195: ok 14222
195: ok 14223
195: ok 14224
195: ok 14225
195: ok 14226
195: ok 14227
195: ok 14228
195: ok 14229
195: ok 14230
195: ok 14231
195: ok 14232
195: ok 14233
195: ok 14234
195: ok 14235
195: ok 14236
195: ok 14237
195: ok 14238
195: ok 14239
195: ok 14240
195: ok 14241
195: ok 14242
195: ok 14243
195: ok 14244
195: ok 14245
195: ok 14246
195: ok 14247
195: ok 14248
195: ok 14249
195: ok 14250
195: ok 14251
195: ok 14252
195: ok 14253
195: ok 14254
195: ok 14255
195: ok 14256
195: ok 14257
195: ok 14258
195: ok 14259
195: ok 14260
195: ok 14261
195: ok 14262
195: ok 14263
195: ok 14264
195: ok 14265
195: ok 14266
195: ok 14267
195: ok 14268
195: ok 14269
195: ok 14270
195: ok 14271
195: ok 14272
195: ok 14273
195: ok 14274
195: ok 14275
195: ok 14276
195: ok 14277
195: ok 14278
195: ok 14279
195: ok 14280
195: ok 14281
195: ok 14282
195: ok 14283
195: ok 14284
195: ok 14285
195: ok 14286
195: ok 14287
195: ok 14288
195: ok 14289
195: ok 14290
195: ok 14291
195: ok 14292
195: ok 14293
195: ok 14294
195: ok 14295
195: ok 14296
195: ok 14297
195: ok 14298
195: ok 14299
195: ok 14300
195: ok 14301
195: ok 14302
195: ok 14303
195: ok 14304
195: ok 14305
195: ok 14306
195: ok 14307
195: ok 14308
195: ok 14309
195: ok 14310
195: ok 14311
195: ok 14312
195: ok 14313
195: ok 14314
195: ok 14315
195: ok 14316
195: ok 14317
195: ok 14318
195: ok 14319
195: ok 14320
195: ok 14321
195: ok 14322
195: ok 14323
195: ok 14324
195: ok 14325
195: ok 14326
195: ok 14327
195: ok 14328
195: ok 14329
195: ok 14330
195: ok 14331
195: ok 14332
195: ok 14333
195: ok 14334
195: ok 14335
195: ok 14336
195: ok 14337
195: ok 14338
195: ok 14339
195: ok 14340
195: ok 14341
195: ok 14342
195: ok 14343
195: ok 14344
195: ok 14345
195: ok 14346
195: ok 14347
195: ok 14348
195: ok 14349
195: ok 14350
195: ok 14351
195: ok 14352
195: ok 14353
195: ok 14354
195: ok 14355
195: ok 14356
195: ok 14357
195: ok 14358
195: ok 14359
195: ok 14360
195: ok 14361
195: ok 14362
195: ok 14363
195: ok 14364
195: ok 14365
195: ok 14366
195: ok 14367
195: ok 14368
195: ok 14369
195: ok 14370
195: ok 14371
195: ok 14372
195: ok 14373
195: ok 14374
195: ok 14375
195: ok 14376
195: ok 14377
195: ok 14378
195: ok 14379
195: ok 14380
195: ok 14381
195: ok 14382
195: ok 14383
195: ok 14384
195: ok 14385
195: ok 14386
195: ok 14387
195: ok 14388
195: ok 14389
195: ok 14390
195: ok 14391
195: ok 14392
195: ok 14393
195: ok 14394
195: ok 14395
195: ok 14396
195: ok 14397
195: ok 14398
195: ok 14399
195: ok 14400
195: ok 14401
195: ok 14402
195: ok 14403
195: ok 14404
195: ok 14405
195: ok 14406
195: ok 14407
195: ok 14408
195: ok 14409
195: ok 14410
195: ok 14411
195: ok 14412
195: ok 14413
195: ok 14414
195: ok 14415
195: ok 14416
195: ok 14417
195: ok 14418
195: ok 14419
195: ok 14420
195: ok 14421
195: ok 14422
195: ok 14423
195: ok 14424
195: ok 14425
195: ok 14426
195: ok 14427
195: ok 14428
195: ok 14429
195: ok 14430
195: ok 14431
195: ok 14432
195: ok 14433
195: ok 14434
195: ok 14435
195: ok 14436
195: ok 14437
195: ok 14438
195: ok 14439
195: ok 14440
195: ok 14441
195: ok 14442
195: ok 14443
195: ok 14444
195: ok 14445
195: ok 14446
195: ok 14447
195: ok 14448
195: ok 14449
195: ok 14450
195: ok 14451
195: ok 14452
195: ok 14453
195: ok 14454
195: ok 14455
195: ok 14456
195: ok 14457
195: ok 14458
195: ok 14459
195: ok 14460
195: ok 14461
195: ok 14462
195: ok 14463
195: ok 14464
195: ok 14465
195: ok 14466
195: ok 14467
195: ok 14468
195: ok 14469
195: ok 14470
195: ok 14471
195: ok 14472
195: ok 14473
195: ok 14474
195: ok 14475
195: ok 14476
195: ok 14477
195: ok 14478
195: ok 14479
195: ok 14480
195: ok 14481
195: ok 14482
195: ok 14483
195: ok 14484
195: ok 14485
195: ok 14486
195: ok 14487
195: ok 14488
195: ok 14489
195: ok 14490
195: ok 14491
195: ok 14492
195: ok 14493
195: ok 14494
195: ok 14495
195: ok 14496
195: ok 14497
195: ok 14498
195: ok 14499
195: ok 14500
195: ok 14501
195: ok 14502
195: ok 14503
195: ok 14504
195: ok 14505
195: ok 14506
195: ok 14507
195: ok 14508
195: ok 14509
195: ok 14510
195: ok 14511
195: ok 14512
195: ok 14513
195: ok 14514
195: ok 14515
195: ok 14516
195: ok 14517
195: ok 14518
195: ok 14519
195: ok 14520
195: ok 14521
195: ok 14522
195: ok 14523
195: ok 14524
195: ok 14525
195: ok 14526
195: ok 14527
195: ok 14528
195: ok 14529
195: ok 14530
195: ok 14531
195: ok 14532
195: ok 14533
195: ok 14534
195: ok 14535
195: ok 14536
195: ok 14537
195: ok 14538
195: ok 14539
195: ok 14540
195: ok 14541
195: ok 14542
195: ok 14543
195: ok 14544
195: ok 14545
195: ok 14546
195: ok 14547
195: ok 14548
195: ok 14549
195: ok 14550
195: ok 14551
195: ok 14552
195: ok 14553
195: ok 14554
195: ok 14555
195: ok 14556
195: ok 14557
195: ok 14558
195: ok 14559
195: ok 14560
195: ok 14561
195: ok 14562
195: ok 14563
195: ok 14564
195: ok 14565
195: ok 14566
195: ok 14567
195: ok 14568
195: ok 14569
195: ok 14570
195: ok 14571
195: ok 14572
195: ok 14573
195: ok 14574
195: ok 14575
195: ok 14576
195: ok 14577
195: ok 14578
195: ok 14579
195: ok 14580
195: ok 14581
195: ok 14582
195: ok 14583
195: ok 14584
195: ok 14585
195: ok 14586
195: ok 14587
195: ok 14588
195: ok 14589
195: ok 14590
195: ok 14591
195: ok 14592
195: ok 14593
195: ok 14594
195: ok 14595
195: ok 14596
195: ok 14597
195: ok 14598
195: ok 14599
195: ok 14600
195: ok 14601
195: ok 14602
195: ok 14603
195: ok 14604
195: ok 14605
195: ok 14606
195: ok 14607
195: ok 14608
195: ok 14609
195: ok 14610
195: ok 14611
195: ok 14612
195: ok 14613
195: ok 14614
195: ok 14615
195: ok 14616
195: ok 14617
195: ok 14618
195: ok 14619
195: ok 14620
195: ok 14621
195: ok 14622
195: ok 14623
195: ok 14624
195: ok 14625
195: ok 14626
195: ok 14627
195: ok 14628
195: ok 14629
195: ok 14630
195: ok 14631
195: ok 14632
195: ok 14633
195: ok 14634
195: ok 14635
195: ok 14636
195: ok 14637
195: ok 14638
195: ok 14639
195: ok 14640
195: ok 14641
195: ok 14642
195: ok 14643
195: ok 14644
195: ok 14645
195: ok 14646
195: ok 14647
195: ok 14648
195: ok 14649
195: ok 14650
195: ok 14651
195: ok 14652
195: ok 14653
195: ok 14654
195: ok 14655
195: ok 14656
195: ok 14657
195: ok 14658
195: ok 14659
195: ok 14660
195: ok 14661
195: ok 14662
195: ok 14663
195: ok 14664
195: ok 14665
195: ok 14666
195: ok 14667
195: ok 14668
195: ok 14669
195: ok 14670
195: ok 14671
195: ok 14672
195: ok 14673
195: ok 14674
195: ok 14675
195: ok 14676
195: ok 14677
195: ok 14678
195: ok 14679
195: ok 14680
195: ok 14681
195: ok 14682
195: ok 14683
195: ok 14684
195: ok 14685
195: ok 14686
195: ok 14687
195: ok 14688
195: ok 14689
195: ok 14690
195: ok 14691
195: ok 14692
195: ok 14693
195: ok 14694
195: ok 14695
195: ok 14696
195: ok 14697
195: ok 14698
195: ok 14699
195: ok 14700
195: ok 14701
195: ok 14702
195: ok 14703
195: ok 14704
195: ok 14705
195: ok 14706
195: ok 14707
195: ok 14708
195: ok 14709
195: ok 14710
195: ok 14711
195: ok 14712
195: ok 14713
195: ok 14714
195: ok 14715
195: ok 14716
195: ok 14717
195: ok 14718
195: ok 14719
195: ok 14720
195: ok 14721
195: ok 14722
195: ok 14723
195: ok 14724
195: ok 14725
195: ok 14726
195: ok 14727
195: ok 14728
195: ok 14729
195: ok 14730
195: ok 14731
195: ok 14732
195: ok 14733
195: ok 14734
195: ok 14735
195: ok 14736
195: ok 14737
195: ok 14738
195: ok 14739
195: ok 14740
195: ok 14741
195: ok 14742
195: ok 14743
195: ok 14744
195: ok 14745
195: ok 14746
195: ok 14747
195: ok 14748
195: ok 14749
195: ok 14750
195: ok 14751
195: ok 14752
195: ok 14753
195: ok 14754
195: ok 14755
195: ok 14756
195: ok 14757
195: ok 14758
195: ok 14759
195: ok 14760
195: ok 14761
195: ok 14762
195: ok 14763
195: ok 14764
195: ok 14765
195: ok 14766
195: ok 14767
195: ok 14768
195: ok 14769
195: ok 14770
195: ok 14771
195: ok 14772
195: ok 14773
195: ok 14774
195: ok 14775
195: ok 14776
195: ok 14777
195: ok 14778
195: ok 14779
195: ok 14780
195: ok 14781
195: ok 14782
195: ok 14783
195: ok 14784
195: ok 14785
195: ok 14786
195: ok 14787
195: ok 14788
195: ok 14789
195: ok 14790
195: ok 14791
195: ok 14792
195: ok 14793
195: ok 14794
195: ok 14795
195: ok 14796
195: ok 14797
195: ok 14798
195: ok 14799
195: ok 14800
195: ok 14801
195: ok 14802
195: ok 14803
195: ok 14804
195: ok 14805
195: ok 14806
195: ok 14807
195: ok 14808
195: ok 14809
195: ok 14810
195: ok 14811
195: ok 14812
195: ok 14813
195: ok 14814
195: ok 14815
195: ok 14816
195: ok 14817
195: ok 14818
195: ok 14819
195: ok 14820
195: ok 14821
195: ok 14822
195: ok 14823
195: ok 14824
195: ok 14825
195: ok 14826
195: ok 14827
195: ok 14828
195: ok 14829
195: ok 14830
195: ok 14831
195: ok 14832
195: ok 14833
195: ok 14834
195: ok 14835
195: ok 14836
195: ok 14837
195: ok 14838
195: ok 14839
195: ok 14840
195: ok 14841
195: ok 14842
195: ok 14843
195: ok 14844
195: ok 14845
195: ok 14846
195: ok 14847
195: ok 14848
195: ok 14849
195: ok 14850
195: ok 14851
195: ok 14852
195: ok 14853
195: ok 14854
195: ok 14855
195: ok 14856
195: ok 14857
195: ok 14858
195: ok 14859
195: ok 14860
195: ok 14861
195: ok 14862
195: ok 14863
195: ok 14864
195: ok 14865
195: ok 14866
195: ok 14867
195: ok 14868
195: ok 14869
195: ok 14870
195: ok 14871
195: ok 14872
195: ok 14873
195: ok 14874
195: ok 14875
195: ok 14876
195: ok 14877
195: ok 14878
195: ok 14879
195: ok 14880
195: ok 14881
195: ok 14882
195: ok 14883
195: ok 14884
195: ok 14885
195: ok 14886
195: ok 14887
195: ok 14888
195: ok 14889
195: ok 14890
195: ok 14891
195: ok 14892
195: ok 14893
195: ok 14894
195: ok 14895
195: ok 14896
195: ok 14897
195: ok 14898
195: ok 14899
195: ok 14900
195: ok 14901
195: ok 14902
195: ok 14903
195: ok 14904
195: ok 14905
195: ok 14906
195: ok 14907
195: ok 14908
195: ok 14909
195: ok 14910
195: ok 14911
195: ok 14912
195: ok 14913
195: ok 14914
195: ok 14915
195: ok 14916
195: ok 14917
195: ok 14918
195: ok 14919
195: ok 14920
195: ok 14921
195: ok 14922
195: ok 14923
195: ok 14924
195: ok 14925
195: ok 14926
195: ok 14927
195: ok 14928
195: ok 14929
195: ok 14930
195: ok 14931
195: ok 14932
195: ok 14933
195: ok 14934
195: ok 14935
195: ok 14936
195: ok 14937
195: ok 14938
195: ok 14939
195: ok 14940
195: ok 14941
195: ok 14942
195: ok 14943
195: ok 14944
195: ok 14945
195: ok 14946
195: ok 14947
195: ok 14948
195: ok 14949
195: ok 14950
195: ok 14951
195: ok 14952
195: ok 14953
195: ok 14954
195: ok 14955
195: ok 14956
195: ok 14957
195: ok 14958
195: ok 14959
195: ok 14960
195: ok 14961
195: ok 14962
195: ok 14963
195: ok 14964
195: ok 14965
195: ok 14966
195: ok 14967
195: ok 14968
195: ok 14969
195: ok 14970
195: ok 14971
195: ok 14972
195: ok 14973
195: ok 14974
195: ok 14975
195: ok 14976
195: ok 14977
195: ok 14978
195: ok 14979
195: ok 14980
195: ok 14981
195: ok 14982
195: ok 14983
195: ok 14984
195: ok 14985
195: ok 14986
195: ok 14987
195: ok 14988
195: ok 14989
195: ok 14990
195: ok 14991
195: ok 14992
195: ok 14993
195: ok 14994
195: ok 14995
195: ok 14996
195: ok 14997
195: ok 14998
195: ok 14999
195: ok 15000
195: ok 15001
195: ok 15002
195: ok 15003
195: ok 15004
195: ok 15005
195: ok 15006
195: ok 15007
195: ok 15008
195: ok 15009
195: ok 15010
195: ok 15011
195: ok 15012
195: ok 15013
195: ok 15014
195: ok 15015
195: ok 15016
195: ok 15017
195: ok 15018
195: ok 15019
195: ok 15020
195: ok 15021
195: ok 15022
195: ok 15023
195: ok 15024
195: ok 15025
195: ok 15026
195: ok 15027
195: ok 15028
195: ok 15029
195: ok 15030
195: ok 15031
195: ok 15032
195: ok 15033
195: ok 15034
195: ok 15035
195: ok 15036
195: ok 15037
195: ok 15038
195: ok 15039
195: ok 15040
195: ok 15041
195: ok 15042
195: ok 15043
195: ok 15044
195: ok 15045
195: ok 15046
195: ok 15047
195: ok 15048
195: ok 15049
195: ok 15050
195: ok 15051
195: ok 15052
195: ok 15053
195: ok 15054
195: ok 15055
195: ok 15056
195: ok 15057
195: ok 15058
195: ok 15059
195: ok 15060
195: ok 15061
195: ok 15062
195: ok 15063
195: ok 15064
195: ok 15065
195: ok 15066
195: ok 15067
195: ok 15068
195: ok 15069
195: ok 15070
195: ok 15071
195: ok 15072
195: ok 15073
195: ok 15074
195: ok 15075
195: ok 15076
195: ok 15077
195: ok 15078
195: ok 15079
195: ok 15080
195: ok 15081
195: ok 15082
195: ok 15083
195: ok 15084
195: ok 15085
195: ok 15086
195: ok 15087
195: ok 15088
195: ok 15089
195: ok 15090
195: ok 15091
195: ok 15092
195: ok 15093
195: ok 15094
195: ok 15095
195: ok 15096
195: ok 15097
195: ok 15098
195: ok 15099
195: ok 15100
195: ok 15101
195: ok 15102
195: ok 15103
195: ok 15104
195: ok 15105
195: ok 15106
195: ok 15107
195: ok 15108
195: ok 15109
195: ok 15110
195: ok 15111
195: ok 15112
195: ok 15113
195: ok 15114
195: ok 15115
195: ok 15116
195: ok 15117
195: ok 15118
195: ok 15119
195: ok 15120
195: ok 15121
195: ok 15122
195: ok 15123
195: ok 15124
195: ok 15125
195: ok 15126
195: ok 15127
195: ok 15128
195: ok 15129
195: ok 15130
195: ok 15131
195: ok 15132
195: ok 15133
195: ok 15134
195: ok 15135
195: ok 15136
195: ok 15137
195: ok 15138
195: ok 15139
195: ok 15140
195: ok 15141
195: ok 15142
195: ok 15143
195: ok 15144
195: ok 15145
195: ok 15146
195: ok 15147
195: ok 15148
195: ok 15149
195: ok 15150
195: ok 15151
195: ok 15152
195: ok 15153
195: ok 15154
195: ok 15155
195: ok 15156
195: ok 15157
195: ok 15158
195: ok 15159
195: ok 15160
195: ok 15161
195: ok 15162
195: ok 15163
195: ok 15164
195: ok 15165
195: ok 15166
195: ok 15167
195: ok 15168
195: ok 15169
195: ok 15170
195: ok 15171
195: ok 15172
195: ok 15173
195: ok 15174
195: ok 15175
195: ok 15176
195: ok 15177
195: ok 15178
195: ok 15179
195: ok 15180
195: ok 15181
195: ok 15182
195: ok 15183
195: ok 15184
195: ok 15185
195: ok 15186
195: ok 15187
195: ok 15188
195: ok 15189
195: ok 15190
195: ok 15191
195: ok 15192
195: ok 15193
195: ok 15194
195: ok 15195
195: ok 15196
195: ok 15197
195: ok 15198
195: ok 15199
195: ok 15200
195: ok 15201
195: ok 15202
195: ok 15203
195: ok 15204
195: ok 15205
195: ok 15206
195: ok 15207
195: ok 15208
195: ok 15209
195: ok 15210
195: ok 15211
195: ok 15212
195: ok 15213
195: ok 15214
195: ok 15215
195: ok 15216
195: ok 15217
195: ok 15218
195: ok 15219
195: ok 15220
195: ok 15221
195: ok 15222
195: ok 15223
195: ok 15224
195: ok 15225
195: ok 15226
195: ok 15227
195: ok 15228
195: ok 15229
195: ok 15230
195: ok 15231
195: ok 15232
195: ok 15233
195: ok 15234
195: ok 15235
195: ok 15236
195: ok 15237
195: ok 15238
195: ok 15239
195: ok 15240
195: ok 15241
195: ok 15242
195: ok 15243
195: ok 15244
195: ok 15245
195: ok 15246
195: ok 15247
195: ok 15248
195: ok 15249
195: ok 15250
195: ok 15251
195: ok 15252
195: ok 15253
195: ok 15254
195: ok 15255
195: ok 15256
195: ok 15257
195: ok 15258
195: ok 15259
195: ok 15260
195: ok 15261
195: ok 15262
195: ok 15263
195: ok 15264
195: ok 15265
195: ok 15266
195: ok 15267
195: ok 15268
195: ok 15269
195: ok 15270
195: ok 15271
195: ok 15272
195: ok 15273
195: ok 15274
195: ok 15275
195: ok 15276
195: ok 15277
195: ok 15278
195: ok 15279
195: ok 15280
195: ok 15281
195: ok 15282
195: ok 15283
195: ok 15284
195: ok 15285
195: ok 15286
195: ok 15287
195: ok 15288
195: ok 15289
195: ok 15290
195: ok 15291
195: ok 15292
195: ok 15293
195: ok 15294
195: ok 15295
195: ok 15296
195: ok 15297
195: ok 15298
195: ok 15299
195: ok 15300
195: ok 15301
195: ok 15302
195: ok 15303
195: ok 15304
195: ok 15305
195: ok 15306
195: ok 15307
195: ok 15308
195: ok 15309
195: ok 15310
195: ok 15311
195: ok 15312
195: ok 15313
195: ok 15314
195: ok 15315
195: ok 15316
195: ok 15317
195: ok 15318
195: ok 15319
195: ok 15320
195: ok 15321
195: ok 15322
195: ok 15323
195: ok 15324
195: ok 15325
195: ok 15326
195: ok 15327
195: ok 15328
195: ok 15329
195: ok 15330
195: ok 15331
195: ok 15332
195: ok 15333
195: ok 15334
195: ok 15335
195: ok 15336
195: ok 15337
195: ok 15338
195: ok 15339
195: ok 15340
195: ok 15341
195: ok 15342
195: ok 15343
195: ok 15344
195: ok 15345
195: ok 15346
195: ok 15347
195: ok 15348
195: ok 15349
195: ok 15350
195: ok 15351
195: ok 15352
195: ok 15353
195: ok 15354
195: ok 15355
195: ok 15356
195: ok 15357
195: ok 15358
195: ok 15359
195: ok 15360
195: ok 15361
195: ok 15362
195: ok 15363
195: ok 15364
195: ok 15365
195: ok 15366
195: ok 15367
195: ok 15368
195: ok 15369
195: ok 15370
195: ok 15371
195: ok 15372
195: ok 15373
195: ok 15374
195: ok 15375
195: ok 15376
195: ok 15377
195: ok 15378
195: ok 15379
195: ok 15380
195: ok 15381
195: ok 15382
195: ok 15383
195: ok 15384
195: ok 15385
195: ok 15386
195: ok 15387
195: ok 15388
195: ok 15389
195: ok 15390
195: ok 15391
195: ok 15392
195: ok 15393
195: ok 15394
195: ok 15395
195: ok 15396
195: ok 15397
195: ok 15398
195: ok 15399
195: ok 15400
195: ok 15401
195: ok 15402
195: ok 15403
195: ok 15404
195: ok 15405
195: ok 15406
195: ok 15407
195: ok 15408
195: ok 15409
195: ok 15410
195: ok 15411
195: ok 15412
195: ok 15413
195: ok 15414
195: ok 15415
195: ok 15416
195: ok 15417
195: ok 15418
195: ok 15419
195: ok 15420
195: ok 15421
195: ok 15422
195: ok 15423
195: ok 15424
195: ok 15425
195: ok 15426
195: ok 15427
195: ok 15428
195: ok 15429
195: ok 15430
195: ok 15431
195: ok 15432
195: ok 15433
195: ok 15434
195: ok 15435
195: ok 15436
195: ok 15437
195: ok 15438
195: ok 15439
195: ok 15440
195: ok 15441
195: ok 15442
195: ok 15443
195: ok 15444
195: ok 15445
195: ok 15446
195: ok 15447
195: ok 15448
195: ok 15449
195: ok 15450
195: ok 15451
195: ok 15452
195: ok 15453
195: ok 15454
195: ok 15455
195: ok 15456
195: ok 15457
195: ok 15458
195: ok 15459
195: ok 15460
195: ok 15461
195: ok 15462
195: ok 15463
195: ok 15464
195: ok 15465
195: ok 15466
195: ok 15467
195: ok 15468
195: ok 15469
195: ok 15470
195: ok 15471
195: ok 15472
195: ok 15473
195: ok 15474
195: ok 15475
195: ok 15476
195: ok 15477
195: ok 15478
195: ok 15479
195: ok 15480
195: ok 15481
195: ok 15482
195: ok 15483
195: ok 15484
195: ok 15485
195: ok 15486
195: ok 15487
195: ok 15488
195: ok 15489
195: ok 15490
195: ok 15491
195: ok 15492
195: ok 15493
195: ok 15494
195: ok 15495
195: ok 15496
195: ok 15497
195: ok 15498
195: ok 15499
195: ok 15500
195: ok 15501
195: ok 15502
195: ok 15503
195: ok 15504
195: ok 15505
195: ok 15506
195: ok 15507
195: ok 15508
195: ok 15509
195: ok 15510
195: ok 15511
195: ok 15512
195: ok 15513
195: ok 15514
195: ok 15515
195: ok 15516
195: ok 15517
195: ok 15518
195: ok 15519
195: ok 15520
195: ok 15521
195: ok 15522
195: ok 15523
195: ok 15524
195: ok 15525
195: ok 15526
195: ok 15527
195: ok 15528
195: ok 15529
195: ok 15530
195: ok 15531
195: ok 15532
195: ok 15533
195: ok 15534
195: ok 15535
195: ok 15536
195: ok 15537
195: ok 15538
195: ok 15539
195: ok 15540
195: ok 15541
195: ok 15542
195: ok 15543
195: ok 15544
195: ok 15545
195: ok 15546
195: ok 15547
195: ok 15548
195: ok 15549
195: ok 15550
195: ok 15551
195: ok 15552
195: ok 15553
195: ok 15554
195: ok 15555
195: ok 15556
195: ok 15557
195: ok 15558
195: ok 15559
195: ok 15560
195: ok 15561
195: ok 15562
195: ok 15563
195: ok 15564
195: ok 15565
195: ok 15566
195: ok 15567
195: ok 15568
195: ok 15569
195: ok 15570
195: ok 15571
195: ok 15572
195: ok 15573
195: ok 15574
195: ok 15575
195: ok 15576
195: ok 15577
195: ok 15578
195: ok 15579
195: ok 15580
195: ok 15581
195: ok 15582
195: ok 15583
195: ok 15584
195: ok 15585
195: ok 15586
195: ok 15587
195: ok 15588
195: ok 15589
195: ok 15590
195: ok 15591
195: ok 15592
195: ok 15593
195: ok 15594
195: ok 15595
195: ok 15596
195: ok 15597
195: ok 15598
195: ok 15599
195: ok 15600
195: ok 15601
195: ok 15602
195: ok 15603
195: ok 15604
195: ok 15605
195: ok 15606
195: ok 15607
195: ok 15608
195: ok 15609
195: ok 15610
195: ok 15611
195: ok 15612
195: ok 15613
195: ok 15614
195: ok 15615
195: ok 15616
195: ok 15617
195: ok 15618
195: ok 15619
195: ok 15620
195: ok 15621
195: ok 15622
195: ok 15623
195: ok 15624
195: ok 15625
195: ok 15626
195: ok 15627
195: ok 15628
195: ok 15629
195: ok 15630
195: ok 15631
195: ok 15632
195: ok 15633
195: ok 15634
195: ok 15635
195: ok 15636
195: ok 15637
195: ok 15638
195: ok 15639
195: ok 15640
195: ok 15641
195: ok 15642
195: ok 15643
195: ok 15644
195: ok 15645
195: ok 15646
195: ok 15647
195: ok 15648
195: ok 15649
195: ok 15650
195: ok 15651
195: ok 15652
195: ok 15653
195: ok 15654
195: ok 15655
195: ok 15656
195: ok 15657
195: ok 15658
195: ok 15659
195: ok 15660
195: ok 15661
195: ok 15662
195: ok 15663
195: ok 15664
195: ok 15665
195: ok 15666
195: ok 15667
195: ok 15668
195: ok 15669
195: ok 15670
195: ok 15671
195: ok 15672
195: ok 15673
195: ok 15674
195: ok 15675
195: ok 15676
195: ok 15677
195: ok 15678
195: ok 15679
195: ok 15680
195: ok 15681
195: ok 15682
195: ok 15683
195: ok 15684
195: ok 15685
195: ok 15686
195: ok 15687
195: ok 15688
195: ok 15689
195: ok 15690
195: ok 15691
195: ok 15692
195: ok 15693
195: ok 15694
195: ok 15695
195: ok 15696
195: ok 15697
195: ok 15698
195: ok 15699
195: ok 15700
195: ok 15701
195: ok 15702
195: ok 15703
195: ok 15704
195: ok 15705
195: ok 15706
195: ok 15707
195: ok 15708
195: ok 15709
195: ok 15710
195: ok 15711
195: ok 15712
195: ok 15713
195: ok 15714
195: ok 15715
195: ok 15716
195: ok 15717
195: ok 15718
195: ok 15719
195: ok 15720
195: ok 15721
195: ok 15722
195: ok 15723
195: ok 15724
195: ok 15725
195: ok 15726
195: ok 15727
195: ok 15728
195: ok 15729
195: ok 15730
195: ok 15731
195: ok 15732
195: ok 15733
195: ok 15734
195: ok 15735
195: ok 15736
195: ok 15737
195: ok 15738
195: ok 15739
195: ok 15740
195: ok 15741
195: ok 15742
195: ok 15743
195: ok 15744
195: ok 15745
195: ok 15746
195: ok 15747
195: ok 15748
195: ok 15749
195: ok 15750
195: ok 15751
195: ok 15752
195: ok 15753
195: ok 15754
195: ok 15755
195: ok 15756
195: ok 15757
195: ok 15758
195: ok 15759
195: ok 15760
195: ok 15761
195: ok 15762
195: ok 15763
195: ok 15764
195: ok 15765
195: ok 15766
195: ok 15767
195: ok 15768
195: ok 15769
195: ok 15770
195: ok 15771
195: ok 15772
195: ok 15773
195: ok 15774
195: ok 15775
195: ok 15776
195: ok 15777
195: ok 15778
195: ok 15779
195: ok 15780
195: ok 15781
195: ok 15782
195: ok 15783
195: ok 15784
195: ok 15785
195: ok 15786
195: ok 15787
195: ok 15788
195: ok 15789
195: ok 15790
195: ok 15791
195: ok 15792
195: ok 15793
195: ok 15794
195: ok 15795
195: ok 15796
195: ok 15797
195: ok 15798
195: ok 15799
195: ok 15800
195: ok 15801
195: ok 15802
195: ok 15803
195: ok 15804
195: ok 15805
195: ok 15806
195: ok 15807
195: ok 15808
195: ok 15809
195: ok 15810
195: ok 15811
195: ok 15812
195: ok 15813
195: ok 15814
195: ok 15815
195: ok 15816
195: ok 15817
195: ok 15818
195: ok 15819
195: ok 15820
195: ok 15821
195: ok 15822
195: ok 15823
195: ok 15824
195: ok 15825
195: ok 15826
195: ok 15827
195: ok 15828
195: ok 15829
195: ok 15830
195: ok 15831
195: ok 15832
195: ok 15833
195: ok 15834
195: ok 15835
195: ok 15836
195: ok 15837
195: ok 15838
195: ok 15839
195: ok 15840
195: ok 15841
195: ok 15842
195: ok 15843
195: ok 15844
195: ok 15845
195: ok 15846
195: ok 15847
195: ok 15848
195: ok 15849
195: ok 15850
195: ok 15851
195: ok 15852
195: ok 15853
195: ok 15854
195: ok 15855
195: ok 15856
195: ok 15857
195: ok 15858
195: ok 15859
195: ok 15860
195: ok 15861
195: ok 15862
195: ok 15863
195: ok 15864
195: ok 15865
195: ok 15866
195: ok 15867
195: ok 15868
195: ok 15869
195: ok 15870
195: ok 15871
195: ok 15872
195: ok 15873
195: ok 15874
195: ok 15875
195: ok 15876
195: ok 15877
195: ok 15878
195: ok 15879
195: ok 15880
195: ok 15881
195: ok 15882
195: ok 15883
195: ok 15884
195: ok 15885
195: ok 15886
195: ok 15887
195: ok 15888
195: ok 15889
195: ok 15890
195: ok 15891
195: ok 15892
195: ok 15893
195: ok 15894
195: ok 15895
195: ok 15896
195: ok 15897
195: ok 15898
195: ok 15899
195: ok 15900
195: ok 15901
195: ok 15902
195: ok 15903
195: ok 15904
195: ok 15905
195: ok 15906
195: ok 15907
195: ok 15908
195: ok 15909
195: ok 15910
195: ok 15911
195: ok 15912
195: ok 15913
195: ok 15914
195: ok 15915
195: ok 15916
195: ok 15917
195: ok 15918
195: ok 15919
195: ok 15920
195: ok 15921
195: ok 15922
195: ok 15923
195: ok 15924
195: ok 15925
195: ok 15926
195: ok 15927
195: ok 15928
195: ok 15929
195: ok 15930
195: ok 15931
195: ok 15932
195: ok 15933
195: ok 15934
195: ok 15935
195: ok 15936
195: ok 15937
195: ok 15938
195: ok 15939
195: ok 15940
195: ok 15941
195: ok 15942
195: ok 15943
195: ok 15944
195: ok 15945
195: ok 15946
195: ok 15947
195: ok 15948
195: ok 15949
195: ok 15950
195: ok 15951
195: ok 15952
195: ok 15953
195: ok 15954
195: ok 15955
195: ok 15956
195: ok 15957
195: ok 15958
195: ok 15959
195: ok 15960
195: ok 15961
195: ok 15962
195: ok 15963
195: ok 15964
195: ok 15965
195: ok 15966
195: ok 15967
195: ok 15968
195: ok 15969
195: ok 15970
195: ok 15971
195: ok 15972
195: ok 15973
195: ok 15974
195: ok 15975
195: ok 15976
195: ok 15977
195: ok 15978
195: ok 15979
195: ok 15980
195: ok 15981
195: ok 15982
195: ok 15983
195: ok 15984
195: ok 15985
195: ok 15986
195: ok 15987
195: ok 15988
195: ok 15989
195: ok 15990
195: ok 15991
195: ok 15992
195: ok 15993
195: ok 15994
195: ok 15995
195: ok 15996
195: ok 15997
195: ok 15998
195: ok 15999
195: ok 16000
195: ok 16001
195: ok 16002
195: ok 16003
195: ok 16004
195: ok 16005
195: ok 16006
195: ok 16007
195: ok 16008
195: ok 16009
195: ok 16010
195: ok 16011
195: ok 16012
195: ok 16013
195: ok 16014
195: ok 16015
195: ok 16016
195: ok 16017
195: ok 16018
195: ok 16019
195: ok 16020
195: ok 16021
195: ok 16022
195: ok 16023
195: ok 16024
195: ok 16025
195: ok 16026
195: ok 16027
195: ok 16028
195: ok 16029
195: ok 16030
195: ok 16031
195: ok 16032
195: ok 16033
195: ok 16034
195: ok 16035
195: ok 16036
195: ok 16037
195: ok 16038
195: ok 16039
195: ok 16040
195: ok 16041
195: ok 16042
195: ok 16043
195: ok 16044
195: ok 16045
195: ok 16046
195: ok 16047
195: ok 16048
195: ok 16049
195: ok 16050
195: ok 16051
195: ok 16052
195: ok 16053
195: ok 16054
195: ok 16055
195: ok 16056
195: ok 16057
195: ok 16058
195: ok 16059
195: ok 16060
195: ok 16061
195: ok 16062
195: ok 16063
195: ok 16064
195: ok 16065
195: ok 16066
195: ok 16067
195: ok 16068
195: ok 16069
195: ok 16070
195: ok 16071
195: ok 16072
195: ok 16073
195: ok 16074
195: ok 16075
195: ok 16076
195: ok 16077
195: ok 16078
195: ok 16079
195: ok 16080
195: ok 16081
195: ok 16082
195: ok 16083
195: ok 16084
195: ok 16085
195: ok 16086
195: ok 16087
195: ok 16088
195: ok 16089
195: ok 16090
195: ok 16091
195: ok 16092
195: ok 16093
195: ok 16094
195: ok 16095
195: ok 16096
195: ok 16097
195: ok 16098
195: ok 16099
195: ok 16100
195: ok 16101
195: ok 16102
195: ok 16103
195: ok 16104
195: ok 16105
195: ok 16106
195: ok 16107
195: ok 16108
195: ok 16109
195: ok 16110
195: ok 16111
195: ok 16112
195: ok 16113
195: ok 16114
195: ok 16115
195: ok 16116
195: ok 16117
195: ok 16118
195: ok 16119
195: ok 16120
195: ok 16121
195: ok 16122
195: ok 16123
195: ok 16124
195: ok 16125
195: ok 16126
195: ok 16127
195: ok 16128
195: ok 16129
195: ok 16130
195: ok 16131
195: ok 16132
195: ok 16133
195: ok 16134
195: ok 16135
195: ok 16136
195: ok 16137
195: ok 16138
195: ok 16139
195: ok 16140
195: ok 16141
195: ok 16142
195: ok 16143
195: ok 16144
195: ok 16145
195: ok 16146
195: ok 16147
195: ok 16148
195: ok 16149
195: ok 16150
195: ok 16151
195: ok 16152
195: ok 16153
195: ok 16154
195: ok 16155
195: ok 16156
195: ok 16157
195: ok 16158
195: ok 16159
195: ok 16160
195: ok 16161
195: ok 16162
195: ok 16163
195: ok 16164
195: ok 16165
195: ok 16166
195: ok 16167
195: ok 16168
195: ok 16169
195: ok 16170
195: ok 16171
195: ok 16172
195: ok 16173
195: ok 16174
195: ok 16175
195: ok 16176
195: ok 16177
195: ok 16178
195: ok 16179
195: ok 16180
195: ok 16181
195: ok 16182
195: ok 16183
195: ok 16184
195: ok 16185
195: ok 16186
195: ok 16187
195: ok 16188
195: ok 16189
195: ok 16190
195: ok 16191
195: ok 16192
195: ok 16193
195: ok 16194
195: ok 16195
195: ok 16196
195: ok 16197
195: ok 16198
195: ok 16199
195: ok 16200
195: ok 16201
195: ok 16202
195: ok 16203
195: ok 16204
195: ok 16205
195: ok 16206
195: ok 16207
195: ok 16208
195: ok 16209
195: ok 16210
195: ok 16211
195: ok 16212
195: ok 16213
195: ok 16214
195: ok 16215
195: ok 16216
195: ok 16217
195: ok 16218
195: ok 16219
195: ok 16220
195: ok 16221
195: ok 16222
195: ok 16223
195: ok 16224
195: ok 16225
195: ok 16226
195: ok 16227
195: ok 16228
195: ok 16229
195: ok 16230
195: ok 16231
195: ok 16232
195: ok 16233
195: ok 16234
195: ok 16235
195: ok 16236
195: ok 16237
195: ok 16238
195: ok 16239
195: ok 16240
195: ok 16241
195: ok 16242
195: ok 16243
195: ok 16244
195: ok 16245
195: ok 16246
195: ok 16247
195: ok 16248
195: ok 16249
195: ok 16250
195: ok 16251
195: ok 16252
195: ok 16253
195: ok 16254
195: ok 16255
195: ok 16256
195: ok 16257
195: ok 16258
195: ok 16259
195: ok 16260
195: ok 16261
195: ok 16262
195: ok 16263
195: ok 16264
195: ok 16265
195: ok 16266
195: ok 16267
195: ok 16268
195: ok 16269
195: ok 16270
195: ok 16271
195: ok 16272
195: ok 16273
195: ok 16274
195: ok 16275
195: ok 16276
195: ok 16277
195: ok 16278
195: ok 16279
195: ok 16280
195: ok 16281
195: ok 16282
195: ok 16283
195: ok 16284
195: ok 16285
195: ok 16286
195: ok 16287
195: ok 16288
195: ok 16289
195: ok 16290
195: ok 16291
195: ok 16292
195: ok 16293
195: ok 16294
195: ok 16295
195: ok 16296
195: ok 16297
195: ok 16298
195: ok 16299
195: ok 16300
195: ok 16301
195: ok 16302
195: ok 16303
195: ok 16304
195: ok 16305
195: ok 16306
195: ok 16307
195: ok 16308
195: ok 16309
195: ok 16310
195: ok 16311
195: ok 16312
195: ok 16313
195: ok 16314
195: ok 16315
195: ok 16316
195: ok 16317
195: ok 16318
195: ok 16319
195: ok 16320
195: ok 16321
195: ok 16322
195: ok 16323
195: ok 16324
195: ok 16325
195: ok 16326
195: ok 16327
195: ok 16328
195: ok 16329
195: ok 16330
195: ok 16331
195: ok 16332
195: ok 16333
195: ok 16334
195: ok 16335
195: ok 16336
195: ok 16337
195: ok 16338
195: ok 16339
195: ok 16340
195: ok 16341
195: ok 16342
195: ok 16343
195: ok 16344
195: ok 16345
195: ok 16346
195: ok 16347
195: ok 16348
195: ok 16349
195: ok 16350
195: ok 16351
195: ok 16352
195: ok 16353
195: ok 16354
195: ok 16355
195: ok 16356
195: ok 16357
195: ok 16358
195: ok 16359
195: ok 16360
195: ok 16361
195: ok 16362
195: ok 16363
195: ok 16364
195: ok 16365
195: ok 16366
195: ok 16367
195: ok 16368
195: ok 16369
195: ok 16370
195: ok 16371
195: ok 16372
195: ok 16373
195: ok 16374
195: ok 16375
195: ok 16376
195: ok 16377
195: ok 16378
195: ok 16379
195: ok 16380
195: ok 16381
195: ok 16382
195: ok 16383
195: ok 16384
195: ok 16385
195: ok 16386
195: ok 16387
195: ok 16388
195: ok 16389
195: ok 16390
195: ok 16391
195: ok 16392
195: ok 16393
195: ok 16394
195: ok 16395
195: ok 16396
195: ok 16397
195: ok 16398
195: ok 16399
195: ok 16400
195: ok 16401
195: ok 16402
195: ok 16403
195: ok 16404
195: ok 16405
195: ok 16406
195: ok 16407
195: ok 16408
195: ok 16409
195: ok 16410
195: ok 16411
195: ok 16412
195: ok 16413
195: ok 16414
195: ok 16415
195: ok 16416
195: ok 16417
195: ok 16418
195: ok 16419
195: ok 16420
195: ok 16421
195: ok 16422
195: ok 16423
195: ok 16424
195: ok 16425
195: ok 16426
195: ok 16427
195: ok 16428
195: ok 16429
195: ok 16430
195: ok 16431
195: ok 16432
195: ok 16433
195: ok 16434
195: ok 16435
195: ok 16436
195: ok 16437
195: ok 16438
195: ok 16439
195: ok 16440
195: ok 16441
195: ok 16442
195: ok 16443
195: ok 16444
195: ok 16445
195: ok 16446
195: ok 16447
195: ok 16448
195: ok 16449
195: ok 16450
195: ok 16451
195: ok 16452
195: ok 16453
195: ok 16454
195: ok 16455
195: ok 16456
195: ok 16457
195: ok 16458
195: ok 16459
195: ok 16460
195: ok 16461
195: ok 16462
195: ok 16463
195: ok 16464
195: ok 16465
195: ok 16466
195: ok 16467
195: ok 16468
195: ok 16469
195: ok 16470
195: ok 16471
195: ok 16472
195: ok 16473
195: ok 16474
195: ok 16475
195: ok 16476
195: ok 16477
195: ok 16478
195: ok 16479
195: ok 16480
195: ok 16481
195: ok 16482
195: ok 16483
195: ok 16484
195: ok 16485
195: ok 16486
195: ok 16487
195: ok 16488
195: ok 16489
195: ok 16490
195: ok 16491
195: ok 16492
195: ok 16493
195: ok 16494
195: ok 16495
195: ok 16496
195: ok 16497
195: ok 16498
195: ok 16499
195: ok 16500
195: ok 16501
195: ok 16502
195: ok 16503
195: ok 16504
195: ok 16505
195: ok 16506
195: ok 16507
195: ok 16508
195: ok 16509
195: ok 16510
195: ok 16511
195: ok 16512
195: ok 16513
195: ok 16514
195: ok 16515
195: ok 16516
195: ok 16517
195: ok 16518
195: ok 16519
195: ok 16520
195: ok 16521
195: ok 16522
195: ok 16523
195: ok 16524
195: ok 16525
195: ok 16526
195: ok 16527
195: ok 16528
195: ok 16529
195: ok 16530
195: ok 16531
195: ok 16532
195: ok 16533
195: ok 16534
195: ok 16535
195: ok 16536
195: ok 16537
195: ok 16538
195: ok 16539
195: ok 16540
195: ok 16541
195: ok 16542
195: ok 16543
195: ok 16544
195: ok 16545
195: ok 16546
195: ok 16547
195: ok 16548
195: ok 16549
195: ok 16550
195: ok 16551
195: ok 16552
195: ok 16553
195: ok 16554
195: ok 16555
195: ok 16556
195: ok 16557
195: ok 16558
195: ok 16559
195: ok 16560
195: ok 16561
195: ok 16562
195: ok 16563
195: ok 16564
195: ok 16565
195: ok 16566
195: ok 16567
195: ok 16568
195: ok 16569
195: ok 16570
195: ok 16571
195: ok 16572
195: ok 16573
195: ok 16574
195: ok 16575
195: ok 16576
195: ok 16577
195: ok 16578
195: ok 16579
195: ok 16580
195: ok 16581
195: ok 16582
195: ok 16583
195: ok 16584
195: ok 16585
195: ok 16586
195: ok 16587
195: ok 16588
195: ok 16589
195: ok 16590
195: ok 16591
195: ok 16592
195: ok 16593
195: ok 16594
195: ok 16595
195: ok 16596
195: ok 16597
195: ok 16598
195: ok 16599
195: ok 16600
195: ok 16601
195: ok 16602
195: ok 16603
195: ok 16604
195: ok 16605
195: ok 16606
195: ok 16607
195: ok 16608
195: ok 16609
195: ok 16610
195: ok 16611
195: ok 16612
195: ok 16613
195: ok 16614
195: ok 16615
195: ok 16616
195: ok 16617
195: ok 16618
195: ok 16619
195: ok 16620
195: ok 16621
195: ok 16622
195: ok 16623
195: ok 16624
195: ok 16625
195: ok 16626
195: ok 16627
195: ok 16628
195: ok 16629
195: ok 16630
195: ok 16631
195: ok 16632
195: ok 16633
195: ok 16634
195: ok 16635
195: ok 16636
195: ok 16637
195: ok 16638
195: ok 16639
195: ok 16640
195: ok 16641
195: ok 16642
195: ok 16643
195: ok 16644
195: ok 16645
195: ok 16646
195: ok 16647
195: ok 16648
195: ok 16649
195: ok 16650
195: ok 16651
195: ok 16652
195: ok 16653
195: ok 16654
195: ok 16655
195: ok 16656
195: ok 16657
195: ok 16658
195: ok 16659
195: ok 16660
195: ok 16661
195: ok 16662
195: ok 16663
195: ok 16664
195: ok 16665
195: ok 16666
195: ok 16667
195: ok 16668
195: ok 16669
195: ok 16670
195: ok 16671
195: ok 16672
195: ok 16673
195: ok 16674
195: ok 16675
195: ok 16676
195: ok 16677
195: ok 16678
195: ok 16679
195: ok 16680
195: ok 16681
195: ok 16682
195: ok 16683
195: ok 16684
195: ok 16685
195: ok 16686
195: ok 16687
195: ok 16688
195: ok 16689
195: ok 16690
195: ok 16691
195: ok 16692
195: ok 16693
195: ok 16694
195: ok 16695
195: ok 16696
195: ok 16697
195: ok 16698
195: ok 16699
195: ok 16700
195: ok 16701
195: ok 16702
195: ok 16703
195: ok 16704
195: ok 16705
195: ok 16706
195: ok 16707
195: ok 16708
195: ok 16709
195: ok 16710
195: ok 16711
195: ok 16712
195: ok 16713
195: ok 16714
195: ok 16715
195: ok 16716
195: ok 16717
195: ok 16718
195: ok 16719
195: ok 16720
195: ok 16721
195: ok 16722
195: ok 16723
195: ok 16724
195: ok 16725
195: ok 16726
195: ok 16727
195: ok 16728
195: ok 16729
195: ok 16730
195: ok 16731
195: ok 16732
195: ok 16733
195: ok 16734
195: ok 16735
195: ok 16736
195: ok 16737
195: ok 16738
195: ok 16739
195: ok 16740
195: ok 16741
195: ok 16742
195: ok 16743
195: ok 16744
195: ok 16745
195: ok 16746
195: ok 16747
195: ok 16748
195: ok 16749
195: ok 16750
195: ok 16751
195: ok 16752
195: ok 16753
195: ok 16754
195: ok 16755
195: ok 16756
195: ok 16757
195: ok 16758
195: ok 16759
195: ok 16760
195: ok 16761
195: ok 16762
195: ok 16763
195: ok 16764
195: ok 16765
195: ok 16766
195: ok 16767
195: ok 16768
195: ok 16769
195: ok 16770
195: ok 16771
195: ok 16772
195: ok 16773
195: ok 16774
195: ok 16775
195: ok 16776
195: ok 16777
195: ok 16778
195: ok 16779
195: ok 16780
195: ok 16781
195: ok 16782
195: ok 16783
195: ok 16784
195: ok 16785
195: ok 16786
195: ok 16787
195: ok 16788
195: ok 16789
195: ok 16790
195: ok 16791
195: ok 16792
195: ok 16793
195: ok 16794
195: ok 16795
195: ok 16796
195: ok 16797
195: ok 16798
195: ok 16799
195: ok 16800
195: ok 16801
195: ok 16802
195: ok 16803
195: ok 16804
195: ok 16805
195: ok 16806
195: ok 16807
195: ok 16808
195: ok 16809
195: ok 16810
195: ok 16811
195: ok 16812
195: ok 16813
195: ok 16814
195: ok 16815
195: ok 16816
195: ok 16817
195: ok 16818
195: ok 16819
195: ok 16820
195: ok 16821
195: ok 16822
195: ok 16823
195: ok 16824
195: ok 16825
195: ok 16826
195: ok 16827
195: ok 16828
195: ok 16829
195: ok 16830
195: ok 16831
195: ok 16832
195: ok 16833
195: ok 16834
195: ok 16835
195: ok 16836
195: ok 16837
195: ok 16838
195: ok 16839
195: ok 16840
195: ok 16841
195: ok 16842
195: ok 16843
195: ok 16844
195: ok 16845
195: ok 16846
195: ok 16847
195: ok 16848
195: ok 16849
195: ok 16850
195: ok 16851
195: ok 16852
195: ok 16853
195: ok 16854
195: ok 16855
195: ok 16856
195: ok 16857
195: ok 16858
195: ok 16859
195: ok 16860
195: ok 16861
195: ok 16862
195: ok 16863
195: ok 16864
195: ok 16865
195: ok 16866
195: ok 16867
195: ok 16868
195: ok 16869
195: ok 16870
195: ok 16871
195: ok 16872
195: ok 16873
195: ok 16874
195: ok 16875
195: ok 16876
195: ok 16877
195: ok 16878
195: ok 16879
195: ok 16880
195: ok 16881
195: ok 16882
195: ok 16883
195: ok 16884
195: ok 16885
195: ok 16886
195: ok 16887
195: ok 16888
195: ok 16889
195: ok 16890
195: ok 16891
195: ok 16892
195: ok 16893
195: ok 16894
195: ok 16895
195: ok 16896
195: ok 16897
195: ok 16898
195: ok 16899
195: ok 16900
195: ok 16901
195: ok 16902
195: ok 16903
195: ok 16904
195: ok 16905
195: ok 16906
195: ok 16907
195: ok 16908
195: ok 16909
195: ok 16910
195: ok 16911
195: ok 16912
195: ok 16913
195: ok 16914
195: ok 16915
195: ok 16916
195: ok 16917
195: ok 16918
195: ok 16919
195: ok 16920
195: ok 16921
195: ok 16922
195: ok 16923
195: ok 16924
195: ok 16925
195: ok 16926
195: ok 16927
195: ok 16928
195: ok 16929
195: ok 16930
195: ok 16931
195: ok 16932
195: ok 16933
195: ok 16934
195: ok 16935
195: ok 16936
195: ok 16937
195: ok 16938
195: ok 16939
195: ok 16940
195: ok 16941
195: ok 16942
195: ok 16943
195: ok 16944
195: ok 16945
195: ok 16946
195: ok 16947
195: ok 16948
195: ok 16949
195: ok 16950
195: ok 16951
195: ok 16952
195: ok 16953
195: ok 16954
195: ok 16955
195: ok 16956
195: ok 16957
195: ok 16958
195: ok 16959
195: ok 16960
195: ok 16961
195: ok 16962
195: ok 16963
195: ok 16964
195: ok 16965
195: ok 16966
195: ok 16967
195: ok 16968
195: ok 16969
195: ok 16970
195: ok 16971
195: ok 16972
195: ok 16973
195: ok 16974
195: ok 16975
195: ok 16976
195: ok 16977
195: ok 16978
195: ok 16979
195: ok 16980
195: ok 16981
195: ok 16982
195: ok 16983
195: ok 16984
195: ok 16985
195: ok 16986
195: ok 16987
195: ok 16988
195: ok 16989
195: ok 16990
195: ok 16991
195: ok 16992
195: ok 16993
195: ok 16994
195: ok 16995
195: ok 16996
195: ok 16997
195: ok 16998
195: ok 16999
195: ok 17000
195: ok 17001
195: ok 17002
195: ok 17003
195: ok 17004
195: ok 17005
195: ok 17006
195: ok 17007
195: ok 17008
195: ok 17009
195: ok 17010
195: ok 17011
195: ok 17012
195: ok 17013
195: ok 17014
195: ok 17015
195: ok 17016
195: ok 17017
195: ok 17018
195: ok 17019
195: ok 17020
195: ok 17021
195: ok 17022
195: ok 17023
195: ok 17024
195: ok 17025
195: ok 17026
195: ok 17027
195: ok 17028
195: ok 17029
195: ok 17030
195: ok 17031
195: ok 17032
195: ok 17033
195: ok 17034
195: ok 17035
195: ok 17036
195: ok 17037
195: ok 17038
195: ok 17039
195: ok 17040
195: ok 17041
195: ok 17042
195: ok 17043
195: ok 17044
195: ok 17045
195: ok 17046
195: ok 17047
195: ok 17048
195: ok 17049
195: ok 17050
195: ok 17051
195: ok 17052
195: ok 17053
195: ok 17054
195: ok 17055
195: ok 17056
195: ok 17057
195: ok 17058
195: ok 17059
195: ok 17060
195: ok 17061
195: ok 17062
195: ok 17063
195: ok 17064
195: ok 17065
195: ok 17066
195: ok 17067
195: ok 17068
195: ok 17069
195: ok 17070
195: ok 17071
195: ok 17072
195: ok 17073
195: ok 17074
195: ok 17075
195: ok 17076
195: ok 17077
195: ok 17078
195: ok 17079
195: ok 17080
195: ok 17081
195: ok 17082
195: ok 17083
195: ok 17084
195: ok 17085
195: ok 17086
195: ok 17087
195: ok 17088
195: ok 17089
195: ok 17090
195: ok 17091
195: ok 17092
195: ok 17093
195: ok 17094
195: ok 17095
195: ok 17096
195: ok 17097
195: ok 17098
195: ok 17099
195: ok 17100
195: ok 17101
195: ok 17102
195: ok 17103
195: ok 17104
195: ok 17105
195: ok 17106
195: ok 17107
195: ok 17108
195: ok 17109
195: ok 17110
195: ok 17111
195: ok 17112
195: ok 17113
195: ok 17114
195: ok 17115
195: ok 17116
195: ok 17117
195: ok 17118
195: ok 17119
195: ok 17120
195: ok 17121
195: ok 17122
195: ok 17123
195: ok 17124
195: ok 17125
195: ok 17126
195: ok 17127
195: ok 17128
195: ok 17129
195: ok 17130
195: ok 17131
195: ok 17132
195: ok 17133
195: ok 17134
195: ok 17135
195: ok 17136
195: ok 17137
195: ok 17138
195: ok 17139
195: ok 17140
195: ok 17141
195: ok 17142
195: ok 17143
195: ok 17144
195: ok 17145
195: ok 17146
195: ok 17147
195: ok 17148
195: ok 17149
195: ok 17150
195: ok 17151
195: ok 17152
195: ok 17153
195: ok 17154
195: ok 17155
195: ok 17156
195: ok 17157
195: ok 17158
195: ok 17159
195: ok 17160
195: ok 17161
195: ok 17162
195: ok 17163
195: ok 17164
195: ok 17165
195: ok 17166
195: ok 17167
195: ok 17168
195: ok 17169
195: ok 17170
195: ok 17171
195: ok 17172
195: ok 17173
195: ok 17174
195: ok 17175
195: ok 17176
195: ok 17177
195: ok 17178
195: ok 17179
195: ok 17180
195: ok 17181
195: ok 17182
195: ok 17183
195: ok 17184
195: ok 17185
195: ok 17186
195: ok 17187
195: ok 17188
195: ok 17189
195: ok 17190
195: ok 17191
195: ok 17192
195: ok 17193
195: ok 17194
195: ok 17195
195: ok 17196
195: ok 17197
195: ok 17198
195: ok 17199
195: ok 17200
195: ok 17201
195: ok 17202
195: ok 17203
195: ok 17204
195: ok 17205
195: ok 17206
195: ok 17207
195: ok 17208
195: ok 17209
195: ok 17210
195: ok 17211
195: ok 17212
195: ok 17213
195: ok 17214
195: ok 17215
195: ok 17216
195: ok 17217
195: ok 17218
195: ok 17219
195: ok 17220
195: ok 17221
195: ok 17222
195: ok 17223
195: ok 17224
195: ok 17225
195: ok 17226
195: ok 17227
195: ok 17228
195: ok 17229
195: ok 17230
195: ok 17231
195: ok 17232
195: ok 17233
195: ok 17234
195: ok 17235
195: ok 17236
195: ok 17237
195: ok 17238
195: ok 17239
195: ok 17240
195: ok 17241
195: ok 17242
195: ok 17243
195: ok 17244
195: ok 17245
195: ok 17246
195: ok 17247
195: ok 17248
195: ok 17249
195: ok 17250
195: ok 17251
195: ok 17252
195: ok 17253
195: ok 17254
195: ok 17255
195: ok 17256
195: ok 17257
195: ok 17258
195: ok 17259
195: ok 17260
195: ok 17261
195: ok 17262
195: ok 17263
195: ok 17264
195: ok 17265
195: ok 17266
195: ok 17267
195: ok 17268
195: ok 17269
195: ok 17270
195: ok 17271
195: ok 17272
195: ok 17273
195: ok 17274
195: ok 17275
195: ok 17276
195: ok 17277
195: ok 17278
195: ok 17279
195: ok 17280
195: ok 17281
195: ok 17282
195: ok 17283
195: ok 17284
195: ok 17285
195: ok 17286
195: ok 17287
195: ok 17288
195: ok 17289
195: ok 17290
195: ok 17291
195: ok 17292
195: ok 17293
195: ok 17294
195: ok 17295
195: ok 17296
195: ok 17297
195: ok 17298
195: ok 17299
195: ok 17300
195: ok 17301
195: ok 17302
195: ok 17303
195: ok 17304
195: ok 17305
195: ok 17306
195: ok 17307
195: ok 17308
195: ok 17309
195: ok 17310
195: ok 17311
195: ok 17312
195: ok 17313
195: ok 17314
195: ok 17315
195: ok 17316
195: ok 17317
195: ok 17318
195: ok 17319
195: ok 17320
195: ok 17321
195: ok 17322
195: ok 17323
195: ok 17324
195: ok 17325
195: ok 17326
195: ok 17327
195: ok 17328
195: ok 17329
195: ok 17330
195: ok 17331
195: ok 17332
195: ok 17333
195: ok 17334
195: ok 17335
195: ok 17336
195: ok 17337
195: ok 17338
195: ok 17339
195: ok 17340
195: ok 17341
195: ok 17342
195: ok 17343
195: ok 17344
195: ok 17345
195: ok 17346
195: ok 17347
195: ok 17348
195: ok 17349
195: ok 17350
195: ok 17351
195: ok 17352
195: ok 17353
195: ok 17354
195: ok 17355
195: ok 17356
195: ok 17357
195: ok 17358
195: ok 17359
195: ok 17360
195: ok 17361
195: ok 17362
195: ok 17363
195: ok 17364
195: ok 17365
195: ok 17366
195: ok 17367
195: ok 17368
195: ok 17369
195: ok 17370
195: ok 17371
195: ok 17372
195: ok 17373
195: ok 17374
195: ok 17375
195: ok 17376
195: ok 17377
195: ok 17378
195: ok 17379
195: ok 17380
195: ok 17381
195: ok 17382
195: ok 17383
195: ok 17384
195: ok 17385
195: ok 17386
195: ok 17387
195: ok 17388
195: ok 17389
195: ok 17390
195: ok 17391
195: ok 17392
195: ok 17393
195: ok 17394
195: ok 17395
195: ok 17396
195: ok 17397
195: ok 17398
195: ok 17399
195: ok 17400
195: ok 17401
195: ok 17402
195: ok 17403
195: ok 17404
195: ok 17405
195: ok 17406
195: ok 17407
195: ok 17408
195: ok 17409
195: ok 17410
195: ok 17411
195: ok 17412
195: ok 17413
195: ok 17414
195: ok 17415
195: ok 17416
195: ok 17417
195: ok 17418
195: ok 17419
195: ok 17420
195: ok 17421
195: ok 17422
195: ok 17423
195: ok 17424
195: ok 17425
195: ok 17426
195: ok 17427
195: ok 17428
195: ok 17429
195: ok 17430
195: ok 17431
195: ok 17432
195: ok 17433
195: ok 17434
195: ok 17435
195: ok 17436
195: ok 17437
195: ok 17438
195: ok 17439
195: ok 17440
195: ok 17441
195: ok 17442
195: ok 17443
195: ok 17444
195: ok 17445
195: ok 17446
195: ok 17447
195: ok 17448
195: ok 17449
195: ok 17450
195: ok 17451
195: ok 17452
195: ok 17453
195: ok 17454
195: ok 17455
195: ok 17456
195: ok 17457
195: ok 17458
195: ok 17459
195: ok 17460
195: ok 17461
195: ok 17462
195: ok 17463
195: ok 17464
195: ok 17465
195: ok 17466
195: ok 17467
195: ok 17468
195: ok 17469
195: ok 17470
195: ok 17471
195: ok 17472
195: ok 17473
195: ok 17474
195: ok 17475
195: ok 17476
195: ok 17477
195: ok 17478
195: ok 17479
195: ok 17480
195: ok 17481
195: ok 17482
195: ok 17483
195: ok 17484
195: ok 17485
195: ok 17486
195: ok 17487
195: ok 17488
195: ok 17489
195: ok 17490
195: ok 17491
195: ok 17492
195: ok 17493
195: ok 17494
195: ok 17495
195: ok 17496
195: ok 17497
195: ok 17498
195: ok 17499
195: ok 17500
195: ok 17501
195: ok 17502
195: ok 17503
195: ok 17504
195: ok 17505
195: ok 17506
195: ok 17507
195: ok 17508
195: ok 17509
195: ok 17510
195: ok 17511
195: ok 17512
195: ok 17513
195: ok 17514
195: ok 17515
195: ok 17516
195: ok 17517
195: ok 17518
195: ok 17519
195: ok 17520
195: ok 17521
195: ok 17522
195: ok 17523
195: ok 17524
195: ok 17525
195: ok 17526
195: ok 17527
195: ok 17528
195: ok 17529
195: ok 17530
195: ok 17531
195: ok 17532
195: ok 17533
195: ok 17534
195: ok 17535
195: ok 17536
195: ok 17537
195: ok 17538
195: ok 17539
195: ok 17540
195: ok 17541
195: ok 17542
195: ok 17543
195: ok 17544
195: ok 17545
195: ok 17546
195: ok 17547
195: ok 17548
195: ok 17549
195: ok 17550
195: ok 17551
195: ok 17552
195: ok 17553
195: ok 17554
195: ok 17555
195: ok 17556
195: ok 17557
195: ok 17558
195: ok 17559
195: ok 17560
195: ok 17561
195: ok 17562
195: ok 17563
195: ok 17564
195: ok 17565
195: ok 17566
195: ok 17567
195: ok 17568
195: ok 17569
195: ok 17570
195: ok 17571
195: ok 17572
195: ok 17573
195: ok 17574
195: ok 17575
195: ok 17576
195: ok 17577
195: ok 17578
195: ok 17579
195: ok 17580
195: ok 17581
195: ok 17582
195: ok 17583
195: ok 17584
195: ok 17585
195: ok 17586
195: ok 17587
195: ok 17588
195: ok 17589
195: ok 17590
195: ok 17591
195: ok 17592
195: ok 17593
195: ok 17594
195: ok 17595
195: ok 17596
195: ok 17597
195: ok 17598
195: ok 17599
195: ok 17600
195: ok 17601
195: ok 17602
195: ok 17603
195: ok 17604
195: ok 17605
195: ok 17606
195: ok 17607
195: ok 17608
195: ok 17609
195: ok 17610
195: ok 17611
195: ok 17612
195: ok 17613
195: ok 17614
195: ok 17615
195: ok 17616
195: ok 17617
195: ok 17618
195: ok 17619
195: ok 17620
195: ok 17621
195: ok 17622
195: ok 17623
195: ok 17624
195: ok 17625
195: ok 17626
195: ok 17627
195: ok 17628
195: ok 17629
195: ok 17630
195: ok 17631
195: ok 17632
195: ok 17633
195: ok 17634
195: ok 17635
195: ok 17636
195: ok 17637
195: ok 17638
195: ok 17639
195: ok 17640
195: ok 17641
195: ok 17642
195: ok 17643
195: ok 17644
195: ok 17645
195: ok 17646
195: ok 17647
195: ok 17648
195: ok 17649
195: ok 17650
195: ok 17651
195: ok 17652
195: ok 17653
195: ok 17654
195: ok 17655
195: ok 17656
195: ok 17657
195: ok 17658
195: ok 17659
195: ok 17660
195: ok 17661
195: ok 17662
195: ok 17663
195: ok 17664
195: ok 17665
195: ok 17666
195: ok 17667
195: ok 17668
195: ok 17669
195: ok 17670
195: ok 17671
195: ok 17672
195: ok 17673
195: ok 17674
195: ok 17675
195: ok 17676
195: ok 17677
195: ok 17678
195: ok 17679
195: ok 17680
195: ok 17681
195: ok 17682
195: ok 17683
195: ok 17684
195: ok 17685
195: ok 17686
195: ok 17687
195: ok 17688
195: ok 17689
195: ok 17690
195: ok 17691
195: ok 17692
195: ok 17693
195: ok 17694
195: ok 17695
195: ok 17696
195: ok 17697
195: ok 17698
195: ok 17699
195: ok 17700
195: ok 17701
195: ok 17702
195: ok 17703
195: ok 17704
195: ok 17705
195: ok 17706
195: ok 17707
195: ok 17708
195: ok 17709
195: ok 17710
195: ok 17711
195: ok 17712
195: ok 17713
195: ok 17714
195: ok 17715
195: ok 17716
195: ok 17717
195: ok 17718
195: ok 17719
195: ok 17720
195: ok 17721
195: ok 17722
195: ok 17723
195: ok 17724
195: ok 17725
195: ok 17726
195: ok 17727
195: ok 17728
195: ok 17729
195: ok 17730
195: ok 17731
195: ok 17732
195: ok 17733
195: ok 17734
195: ok 17735
195: ok 17736
195: ok 17737
195: ok 17738
195: ok 17739
195: ok 17740
195: ok 17741
195: ok 17742
195: ok 17743
195: ok 17744
195: ok 17745
195: ok 17746
195: ok 17747
195: ok 17748
195: ok 17749
195: ok 17750
195: ok 17751
195: ok 17752
195: ok 17753
195: ok 17754
195: ok 17755
195: ok 17756
195: ok 17757
195: ok 17758
195: ok 17759
195: ok 17760
195: ok 17761
195: ok 17762
195: ok 17763
195: ok 17764
195: ok 17765
195: ok 17766
195: ok 17767
195: ok 17768
195: ok 17769
195: ok 17770
195: ok 17771
195: ok 17772
195: ok 17773
195: ok 17774
195: ok 17775
195: ok 17776
195: ok 17777
195: ok 17778
195: ok 17779
195: ok 17780
195: ok 17781
195: ok 17782
195: ok 17783
195: ok 17784
195: ok 17785
195: ok 17786
195: ok 17787
195: ok 17788
195: ok 17789
195: ok 17790
195: ok 17791
195: ok 17792
195: ok 17793
195: ok 17794
195: ok 17795
195: ok 17796
195: ok 17797
195: ok 17798
195: ok 17799
195: ok 17800
195: ok 17801
195: ok 17802
195: ok 17803
195: ok 17804
195: ok 17805
195: ok 17806
195: ok 17807
195: ok 17808
195: ok 17809
195: ok 17810
195: ok 17811
195: ok 17812
195: ok 17813
195: ok 17814
195: ok 17815
195: ok 17816
195: ok 17817
195: ok 17818
195: ok 17819
195: ok 17820
195: ok 17821
195: ok 17822
195: ok 17823
195: ok 17824
195: ok 17825
195: ok 17826
195: ok 17827
195: ok 17828
195: ok 17829
195: ok 17830
195: ok 17831
195: ok 17832
195: ok 17833
195: ok 17834
195: ok 17835
195: ok 17836
195: ok 17837
195: ok 17838
195: ok 17839
195: ok 17840
195: ok 17841
195: ok 17842
195: ok 17843
195: ok 17844
195: ok 17845
195: ok 17846
195: ok 17847
195: ok 17848
195: ok 17849
195: ok 17850
195: ok 17851
195: ok 17852
195: ok 17853
195: ok 17854
195: ok 17855
195: ok 17856
195: ok 17857
195: ok 17858
195: ok 17859
195: ok 17860
195: ok 17861
195: ok 17862
195: ok 17863
195: ok 17864
195: ok 17865
195: ok 17866
195: ok 17867
195: ok 17868
195: ok 17869
195: ok 17870
195: ok 17871
195: ok 17872
195: ok 17873
195: ok 17874
195: ok 17875
195: ok 17876
195: ok 17877
195: ok 17878
195: ok 17879
195: ok 17880
195: ok 17881
195: ok 17882
195: ok 17883
195: ok 17884
195: ok 17885
195: ok 17886
195: ok 17887
195: ok 17888
195: ok 17889
195: ok 17890
195: ok 17891
195: ok 17892
195: ok 17893
195: ok 17894
195: ok 17895
195: ok 17896
195: ok 17897
195: ok 17898
195: ok 17899
195: ok 17900
195: ok 17901
195: ok 17902
195: ok 17903
195: ok 17904
195: ok 17905
195: ok 17906
195: ok 17907
195: ok 17908
195: ok 17909
195: ok 17910
195: ok 17911
195: ok 17912
195: ok 17913
195: ok 17914
195: ok 17915
195: ok 17916
195: ok 17917
195: ok 17918
195: ok 17919
195: ok 17920
195: ok 17921
195: ok 17922
195: ok 17923
195: ok 17924
195: ok 17925
195: ok 17926
195: ok 17927
195: ok 17928
195: ok 17929
195: ok 17930
195: ok 17931
195: ok 17932
195: ok 17933
195: ok 17934
195: ok 17935
195: ok 17936
195: ok 17937
195: ok 17938
195: ok 17939
195: ok 17940
195: ok 17941
195: ok 17942
195: ok 17943
195: ok 17944
195: ok 17945
195: ok 17946
195: ok 17947
195: ok 17948
195: ok 17949
195: ok 17950
195: ok 17951
195: ok 17952
195: ok 17953
195: ok 17954
195: ok 17955
195: ok 17956
195: ok 17957
195: ok 17958
195: ok 17959
195: ok 17960
195: ok 17961
195: ok 17962
195: ok 17963
195: ok 17964
195: ok 17965
195: ok 17966
195: ok 17967
195: ok 17968
195: ok 17969
195: ok 17970
195: ok 17971
195: ok 17972
195: ok 17973
195: ok 17974
195: ok 17975
195: ok 17976
195: ok 17977
195: ok 17978
195: ok 17979
195: ok 17980
195: ok 17981
195: ok 17982
195: ok 17983
195: ok 17984
195: ok 17985
195: ok 17986
195: ok 17987
195: ok 17988
195: ok 17989
195: ok 17990
195: ok 17991
195: ok 17992
195: ok 17993
195: ok 17994
195: ok 17995
195: ok 17996
195: ok 17997
195: ok 17998
195: ok 17999
195: ok 18000
195: ok 18001
195: ok 18002
195: ok 18003
195: ok 18004
195: ok 18005
195: ok 18006
195: ok 18007
195: ok 18008
195: ok 18009
195: ok 18010
195: ok 18011
195: ok 18012
195: ok 18013
195: ok 18014
195: ok 18015
195: ok 18016
195: ok 18017
195: ok 18018
195: ok 18019
195: ok 18020
195: ok 18021
195: ok 18022
195: ok 18023
195: ok 18024
195: ok 18025
195: ok 18026
195: ok 18027
195: ok 18028
195: ok 18029
195: ok 18030
195: ok 18031
195: ok 18032
195: ok 18033
195: ok 18034
195: ok 18035
195: ok 18036
195: ok 18037
195: ok 18038
195: ok 18039
195: ok 18040
195: ok 18041
195: ok 18042
195: ok 18043
195: ok 18044
195: ok 18045
195: ok 18046
195: ok 18047
195: ok 18048
195: ok 18049
195: ok 18050
195: ok 18051
195: ok 18052
195: ok 18053
195: ok 18054
195: ok 18055
195: ok 18056
195: ok 18057
195: ok 18058
195: ok 18059
195: ok 18060
195: ok 18061
195: ok 18062
195: ok 18063
195: ok 18064
195: ok 18065
195: ok 18066
195: ok 18067
195: ok 18068
195: ok 18069
195: ok 18070
195: ok 18071
195: ok 18072
195: ok 18073
195: ok 18074
195: ok 18075
195: ok 18076
195: ok 18077
195: ok 18078
195: ok 18079
195: ok 18080
195: ok 18081
195: ok 18082
195: ok 18083
195: ok 18084
195: ok 18085
195: ok 18086
195: ok 18087
195: ok 18088
195: ok 18089
195: ok 18090
195: ok 18091
195: ok 18092
195: ok 18093
195: ok 18094
195: ok 18095
195: ok 18096
195: ok 18097
195: ok 18098
195: ok 18099
195: ok 18100
195: ok 18101
195: ok 18102
195: ok 18103
195: ok 18104
195: ok 18105
195: ok 18106
195: ok 18107
195: ok 18108
195: ok 18109
195: ok 18110
195: ok 18111
195: ok 18112
195: ok 18113
195: ok 18114
195: ok 18115
195: ok 18116
195: ok 18117
195: ok 18118
195: ok 18119
195: ok 18120
195: ok 18121
195: ok 18122
195: ok 18123
195: ok 18124
195: ok 18125
195: ok 18126
195: ok 18127
195: ok 18128
195: ok 18129
195: ok 18130
195: ok 18131
195: ok 18132
195: ok 18133
195: ok 18134
195: ok 18135
195: ok 18136
195: ok 18137
195: ok 18138
195: ok 18139
195: ok 18140
195: ok 18141
195: ok 18142
195: ok 18143
195: ok 18144
195: ok 18145
195: ok 18146
195: ok 18147
195: ok 18148
195: ok 18149
195: ok 18150
195: ok 18151
195: ok 18152
195: ok 18153
195: ok 18154
195: ok 18155
195: ok 18156
195: ok 18157
195: ok 18158
195: ok 18159
195: ok 18160
195: ok 18161
195: ok 18162
195: ok 18163
195: ok 18164
195: ok 18165
195: ok 18166
195: ok 18167
195: ok 18168
195: ok 18169
195: ok 18170
195: ok 18171
195: ok 18172
195: ok 18173
195: ok 18174
195: ok 18175
195: ok 18176
195: ok 18177
195: ok 18178
195: ok 18179
195: ok 18180
195: ok 18181
195: ok 18182
195: ok 18183
195: ok 18184
195: ok 18185
195: ok 18186
195: ok 18187
195: ok 18188
195: ok 18189
195: ok 18190
195: ok 18191
195: ok 18192
195: ok 18193
195: ok 18194
195: ok 18195
195: ok 18196
195: ok 18197
195: ok 18198
195: ok 18199
195: ok 18200
195: ok 18201
195: ok 18202
195: ok 18203
195: ok 18204
195: ok 18205
195: ok 18206
195: ok 18207
195: ok 18208
195: ok 18209
195: ok 18210
195: ok 18211
195: ok 18212
195: ok 18213
195: ok 18214
195: ok 18215
195: ok 18216
195: ok 18217
195: ok 18218
195: ok 18219
195: ok 18220
195: ok 18221
195: ok 18222
195: ok 18223
195: ok 18224
195: ok 18225
195: ok 18226
195: ok 18227
195: ok 18228
195: ok 18229
195: ok 18230
195: ok 18231
195: ok 18232
195: ok 18233
195: ok 18234
195: ok 18235
195: ok 18236
195: ok 18237
195: ok 18238
195: ok 18239
195: ok 18240
195: ok 18241
195: ok 18242
195: ok 18243
195: ok 18244
195: ok 18245
195: ok 18246
195: ok 18247
195: ok 18248
195: ok 18249
195: ok 18250
195: ok 18251
195: ok 18252
195: ok 18253
195: ok 18254
195: ok 18255
195: ok 18256
195: ok 18257
195: ok 18258
195: ok 18259
195: ok 18260
195: ok 18261
195: ok 18262
195: ok 18263
195: ok 18264
195: ok 18265
195: ok 18266
195: ok 18267
195: ok 18268
195: ok 18269
195: ok 18270
195: ok 18271
195: ok 18272
195: ok 18273
195: ok 18274
195: ok 18275
195: ok 18276
195: ok 18277
195: ok 18278
195: ok 18279
195: ok 18280
195: ok 18281
195: ok 18282
195: ok 18283
195: ok 18284
195: ok 18285
195: ok 18286
195: ok 18287
195: ok 18288
195: ok 18289
195: ok 18290
195: ok 18291
195: ok 18292
195: ok 18293
195: ok 18294
195: ok 18295
195: ok 18296
195: ok 18297
195: ok 18298
195: ok 18299
195: ok 18300
195: ok 18301
195: ok 18302
195: ok 18303
195: ok 18304
195: ok 18305
195: ok 18306
195: ok 18307
195: ok 18308
195: ok 18309
195: ok 18310
195: ok 18311
195: ok 18312
195: ok 18313
195: ok 18314
195: ok 18315
195: ok 18316
195: ok 18317
195: ok 18318
195: ok 18319
195: ok 18320
195: ok 18321
195: ok 18322
195: ok 18323
195: ok 18324
195: ok 18325
195: ok 18326
195: ok 18327
195: ok 18328
195: ok 18329
195: ok 18330
195: ok 18331
195: ok 18332
195: ok 18333
195: ok 18334
195: ok 18335
195: ok 18336
195: ok 18337
195: ok 18338
195: ok 18339
195: ok 18340
195: ok 18341
195: ok 18342
195: ok 18343
195: ok 18344
195: ok 18345
195: ok 18346
195: ok 18347
195: ok 18348
195: ok 18349
195: ok 18350
195: ok 18351
195: ok 18352
195: ok 18353
195: ok 18354
195: ok 18355
195: ok 18356
195: ok 18357
195: ok 18358
195: ok 18359
195: ok 18360
195: ok 18361
195: ok 18362
195: ok 18363
195: ok 18364
195: ok 18365
195: ok 18366
195: ok 18367
195: ok 18368
195: ok 18369
195: ok 18370
195: ok 18371
195: ok 18372
195: ok 18373
195: ok 18374
195: ok 18375
195: ok 18376
195: ok 18377
195: ok 18378
195: ok 18379
195: ok 18380
195: ok 18381
195: ok 18382
195: ok 18383
195: ok 18384
195: ok 18385
195: ok 18386
195: ok 18387
195: ok 18388
195: ok 18389
195: ok 18390
195: ok 18391
195: ok 18392
195: ok 18393
195: ok 18394
195: ok 18395
195: ok 18396
195: ok 18397
195: ok 18398
195: ok 18399
195: ok 18400
195: ok 18401
195: ok 18402
195: ok 18403
195: ok 18404
195: ok 18405
195: ok 18406
195: ok 18407
195: ok 18408
195: ok 18409
195: ok 18410
195: ok 18411
195: ok 18412
195: ok 18413
195: ok 18414
195: ok 18415
195: ok 18416
195: ok 18417
195: ok 18418
195: ok 18419
195: ok 18420
195: ok 18421
195: ok 18422
195: ok 18423
195: ok 18424
195: ok 18425
195: ok 18426
195: ok 18427
195: ok 18428
195: ok 18429
195: ok 18430
195: ok 18431
195: ok 18432
195: ok 18433
195: ok 18434
195: ok 18435
195: ok 18436
195: ok 18437
195: ok 18438
195: ok 18439
195: ok 18440
195: ok 18441
195: ok 18442
195: ok 18443
195: ok 18444
195: ok 18445
195: ok 18446
195: ok 18447
195: ok 18448
195: ok 18449
195: ok 18450
195: ok 18451
195: ok 18452
195: ok 18453
195: ok 18454
195: ok 18455
195: ok 18456
195: ok 18457
195: ok 18458
195: ok 18459
195: ok 18460
195: ok 18461
195: ok 18462
195: ok 18463
195: ok 18464
195: ok 18465
195: ok 18466
195: ok 18467
195: ok 18468
195: ok 18469
195: ok 18470
195: ok 18471
195: ok 18472
195: ok 18473
195: ok 18474
195: ok 18475
195: ok 18476
195: ok 18477
195: ok 18478
195: ok 18479
195: ok 18480
195: ok 18481
195: ok 18482
195: ok 18483
195: ok 18484
195: ok 18485
195: ok 18486
195: ok 18487
195: ok 18488
195: ok 18489
195: ok 18490
195: ok 18491
195: ok 18492
195: ok 18493
195: ok 18494
195: ok 18495
195: ok 18496
195: ok 18497
195: ok 18498
195: ok 18499
195: ok 18500
195: ok 18501
195: ok 18502
195: ok 18503
195: ok 18504
195: ok 18505
195: ok 18506
195: ok 18507
195: ok 18508
195: ok 18509
195: ok 18510
195: ok 18511
195: ok 18512
195: ok 18513
195: ok 18514
195: ok 18515
195: ok 18516
195: ok 18517
195: ok 18518
195: ok 18519
195: ok 18520
195: ok 18521
195: ok 18522
195: ok 18523
195: ok 18524
195: ok 18525
195: ok 18526
195: ok 18527
195: ok 18528
195: ok 18529
195: ok 18530
195: ok 18531
195: ok 18532
195: ok 18533
195: ok 18534
195: ok 18535
195: ok 18536
195: ok 18537
195: ok 18538
195: ok 18539
195: ok 18540
195: ok 18541
195: ok 18542
195: ok 18543
195: ok 18544
195: ok 18545
195: ok 18546
195: ok 18547
195: ok 18548
195: ok 18549
195: ok 18550
195: ok 18551
195: ok 18552
195: ok 18553
195: ok 18554
195: ok 18555
195: ok 18556
195: ok 18557
195: ok 18558
195: ok 18559
195: ok 18560
195: ok 18561
195: ok 18562
195: ok 18563
195: ok 18564
195: ok 18565
195: ok 18566
195: ok 18567
195: ok 18568
195: ok 18569
195: ok 18570
195: ok 18571
195: ok 18572
195: ok 18573
195: ok 18574
195: ok 18575
195: ok 18576
195: ok 18577
195: ok 18578
195: ok 18579
195: ok 18580
195: ok 18581
195: ok 18582
195: ok 18583
195: ok 18584
195: ok 18585
195: ok 18586
195: ok 18587
195: ok 18588
195: ok 18589
195: ok 18590
195: ok 18591
195: ok 18592
195: ok 18593
195: ok 18594
195: ok 18595
195: ok 18596
195: ok 18597
195: ok 18598
195: ok 18599
195: ok 18600
195: ok 18601
195: ok 18602
195: ok 18603
195: ok 18604
195: ok 18605
195: ok 18606
195: ok 18607
195: ok 18608
195: ok 18609
195: ok 18610
195: ok 18611
195: ok 18612
195: ok 18613
195: ok 18614
195: ok 18615
195: ok 18616
195: ok 18617
195: ok 18618
195: ok 18619
195: ok 18620
195: ok 18621
195: ok 18622
195: ok 18623
195: ok 18624
195: ok 18625
195: ok 18626
195: ok 18627
195: ok 18628
195: ok 18629
195: ok 18630
195: ok 18631
195: ok 18632
195: ok 18633
195: ok 18634
195: ok 18635
195: ok 18636
195: ok 18637
195: ok 18638
195: ok 18639
195: ok 18640
195: ok 18641
195: ok 18642
195: ok 18643
195: ok 18644
195: ok 18645
195: ok 18646
195: ok 18647
195: ok 18648
195: ok 18649
195: ok 18650
195: ok 18651
195: ok 18652
195: ok 18653
195: ok 18654
195: ok 18655
195: ok 18656
195: ok 18657
195: ok 18658
195: ok 18659
195: ok 18660
195: ok 18661
195: ok 18662
195: ok 18663
195: ok 18664
195: ok 18665
195: ok 18666
195: ok 18667
195: ok 18668
195: ok 18669
195: ok 18670
195: ok 18671
195: ok 18672
195: ok 18673
195: ok 18674
195: ok 18675
195: ok 18676
195: ok 18677
195: ok 18678
195: ok 18679
195: ok 18680
195: ok 18681
195: ok 18682
195: ok 18683
195: ok 18684
195: ok 18685
195: ok 18686
195: ok 18687
195: ok 18688
195: ok 18689
195: ok 18690
195: ok 18691
195: ok 18692
195: ok 18693
195: ok 18694
195: ok 18695
195: ok 18696
195: ok 18697
195: ok 18698
195: ok 18699
195: ok 18700
195: ok 18701
195: ok 18702
195: ok 18703
195: ok 18704
195: ok 18705
195: ok 18706
195: ok 18707
195: ok 18708
195: ok 18709
195: ok 18710
195: ok 18711
195: ok 18712
195: ok 18713
195: ok 18714
195: ok 18715
195: ok 18716
195: ok 18717
195: ok 18718
195: ok 18719
195: ok 18720
195: ok 18721
195: ok 18722
195: ok 18723
195: ok 18724
195: ok 18725
195: ok 18726
195: ok 18727
195: ok 18728
195: ok 18729
195: ok 18730
195: ok 18731
195: ok 18732
195: ok 18733
195: ok 18734
195: ok 18735
195: ok 18736
195: ok 18737
195: ok 18738
195: ok 18739
195: ok 18740
195: ok 18741
195: ok 18742
195: ok 18743
195: ok 18744
195: ok 18745
195: ok 18746
195: ok 18747
195: ok 18748
195: ok 18749
195: ok 18750
195: ok 18751
195: ok 18752
195: ok 18753
195: ok 18754
195: ok 18755
195: ok 18756
195: ok 18757
195: ok 18758
195: ok 18759
195: ok 18760
195: ok 18761
195: ok 18762
195: ok 18763
195: ok 18764
195: ok 18765
195: ok 18766
195: ok 18767
195: ok 18768
195: ok 18769
195: ok 18770
195: ok 18771
195: ok 18772
195: ok 18773
195: ok 18774
195: ok 18775
195: ok 18776
195: ok 18777
195: ok 18778
195: ok 18779
195: ok 18780
195: ok 18781
195: ok 18782
195: ok 18783
195: ok 18784
195: ok 18785
195: ok 18786
195: ok 18787
195: ok 18788
195: ok 18789
195: ok 18790
195: ok 18791
195: ok 18792
195: ok 18793
195: ok 18794
195: ok 18795
195: ok 18796
195: ok 18797
195: ok 18798
195: ok 18799
195: ok 18800
195: ok 18801
195: ok 18802
195: ok 18803
195: ok 18804
195: ok 18805
195: ok 18806
195: ok 18807
195: ok 18808
195: ok 18809
195: ok 18810
195: ok 18811
195: ok 18812
195: ok 18813
195: ok 18814
195: ok 18815
195: ok 18816
195: ok 18817
195: ok 18818
195: ok 18819
195: ok 18820
195: ok 18821
195: ok 18822
195: ok 18823
195: ok 18824
195: ok 18825
195: ok 18826
195: ok 18827
195: ok 18828
195: ok 18829
195: ok 18830
195: ok 18831
195: ok 18832
195: ok 18833
195: ok 18834
195: ok 18835
195: ok 18836
195: ok 18837
195: ok 18838
195: ok 18839
195: ok 18840
195: ok 18841
195: ok 18842
195: ok 18843
195: ok 18844
195: ok 18845
195: ok 18846
195: ok 18847
195: ok 18848
195: ok 18849
195: ok 18850
195: ok 18851
195: ok 18852
195: ok 18853
195: ok 18854
195: ok 18855
195: ok 18856
195: ok 18857
195: ok 18858
195: ok 18859
195: ok 18860
195: ok 18861
195: ok 18862
195: ok 18863
195: ok 18864
195: ok 18865
195: ok 18866
195: ok 18867
195: ok 18868
195: ok 18869
195: ok 18870
195: ok 18871
195: ok 18872
195: ok 18873
195: ok 18874
195: ok 18875
195: ok 18876
195: ok 18877
195: ok 18878
195: ok 18879
195: ok 18880
195: ok 18881
195: ok 18882
195: ok 18883
195: ok 18884
195: ok 18885
195: ok 18886
195: ok 18887
195: ok 18888
195: ok 18889
195: ok 18890
195: ok 18891
195: ok 18892
195: ok 18893
195: ok 18894
195: ok 18895
195: ok 18896
195: ok 18897
195: ok 18898
195: ok 18899
195: ok 18900
195: ok 18901
195: ok 18902
195: ok 18903
195: ok 18904
195: ok 18905
195: ok 18906
195: ok 18907
195: ok 18908
195: ok 18909
195: ok 18910
195: ok 18911
195: ok 18912
195: ok 18913
195: ok 18914
195: ok 18915
195: ok 18916
195: ok 18917
195: ok 18918
195: ok 18919
195: ok 18920
195: ok 18921
195: ok 18922
195: ok 18923
195: ok 18924
195: ok 18925
195: ok 18926
195: ok 18927
195: ok 18928
195: ok 18929
195: ok 18930
195: ok 18931
195: ok 18932
195: ok 18933
195: ok 18934
195: ok 18935
195: ok 18936
195: ok 18937
195: ok 18938
195: ok 18939
195: ok 18940
195: ok 18941
195: ok 18942
195: ok 18943
195: ok 18944
195: ok 18945
195: ok 18946
195: ok 18947
195: ok 18948
195: ok 18949
195: ok 18950
195: ok 18951
195: ok 18952
195: ok 18953
195: ok 18954
195: ok 18955
195: ok 18956
195: ok 18957
195: ok 18958
195: ok 18959
195: ok 18960
195: ok 18961
195: ok 18962
195: ok 18963
195: ok 18964
195: ok 18965
195: ok 18966
195: ok 18967
195: ok 18968
195: ok 18969
195: ok 18970
195: ok 18971
195: ok 18972
195: ok 18973
195: ok 18974
195: ok 18975
195: ok 18976
195: ok 18977
195: ok 18978
195: ok 18979
195: ok 18980
195: ok 18981
195: ok 18982
195: ok 18983
195: ok 18984
195: ok 18985
195: ok 18986
195: ok 18987
195: ok 18988
195: ok 18989
195: ok 18990
195: ok 18991
195: ok 18992
195: ok 18993
195: ok 18994
195: ok 18995
195: ok 18996
195: ok 18997
195: ok 18998
195: ok 18999
195: ok 19000
195: ok 19001
195: ok 19002
195: ok 19003
195: ok 19004
195: ok 19005
195: ok 19006
195: ok 19007
195: ok 19008
195: ok 19009
195: ok 19010
195: ok 19011
195: ok 19012
195: ok 19013
195: ok 19014
195: ok 19015
195: ok 19016
195: ok 19017
195: ok 19018
195: ok 19019
195: ok 19020
195: ok 19021
195: ok 19022
195: ok 19023
195: ok 19024
195: ok 19025
195: ok 19026
195: ok 19027
195: ok 19028
195: ok 19029
195: ok 19030
195: ok 19031
195: ok 19032
195: ok 19033
195: ok 19034
195: ok 19035
195: ok 19036
195: ok 19037
195: ok 19038
195: ok 19039
195: ok 19040
195: ok 19041
195: ok 19042
195: ok 19043
195: ok 19044
195: ok 19045
195: ok 19046
195: ok 19047
195: ok 19048
195: ok 19049
195: ok 19050
195: ok 19051
195: ok 19052
195: ok 19053
195: ok 19054
195: ok 19055
195: ok 19056
195: ok 19057
195: ok 19058
195: ok 19059
195: ok 19060
195: ok 19061
195: ok 19062
195: ok 19063
195: ok 19064
195: ok 19065
195: ok 19066
195: ok 19067
195: ok 19068
195: ok 19069
195: ok 19070
195: ok 19071
195: ok 19072
195: ok 19073
195: ok 19074
195: ok 19075
195: ok 19076
195: ok 19077
195: ok 19078
195: ok 19079
195: ok 19080
195: ok 19081
195: ok 19082
195: ok 19083
195: ok 19084
195: ok 19085
195: ok 19086
195: ok 19087
195: ok 19088
195: ok 19089
195: ok 19090
195: ok 19091
195: ok 19092
195: ok 19093
195: ok 19094
195: ok 19095
195: ok 19096
195: ok 19097
195: ok 19098
195: ok 19099
195: ok 19100
195: ok 19101
195: ok 19102
195: ok 19103
195: ok 19104
195: ok 19105
195: ok 19106
195: ok 19107
195: ok 19108
195: ok 19109
195: ok 19110
195: ok 19111
195: ok 19112
195: ok 19113
195: ok 19114
195: ok 19115
195: ok 19116
195: ok 19117
195: ok 19118
195: ok 19119
195: ok 19120
195: ok 19121
195: ok 19122
195: ok 19123
195: ok 19124
195: ok 19125
195: ok 19126
195: ok 19127
195: ok 19128
195: ok 19129
195: ok 19130
195: ok 19131
195: ok 19132
195: ok 19133
195: ok 19134
195: ok 19135
195: ok 19136
195: ok 19137
195: ok 19138
195: ok 19139
195: ok 19140
195: ok 19141
195: ok 19142
195: ok 19143
195: ok 19144
195: ok 19145
195: ok 19146
195: ok 19147
195: ok 19148
195: ok 19149
195: ok 19150
195: ok 19151
195: ok 19152
195: ok 19153
195: ok 19154
195: ok 19155
195: ok 19156
195: ok 19157
195: ok 19158
195: ok 19159
195: ok 19160
195: ok 19161
195: ok 19162
195: ok 19163
195: ok 19164
195: ok 19165
195: ok 19166
195: ok 19167
195: ok 19168
195: ok 19169
195: ok 19170
195: ok 19171
195: ok 19172
195: ok 19173
195: ok 19174
195: ok 19175
195: ok 19176
195: ok 19177
195: ok 19178
195: ok 19179
195: ok 19180
195: ok 19181
195: ok 19182
195: ok 19183
195: ok 19184
195: ok 19185
195: ok 19186
195: ok 19187
195: ok 19188
195: ok 19189
195: ok 19190
195: ok 19191
195: ok 19192
195: ok 19193
195: ok 19194
195: ok 19195
195: ok 19196
195: ok 19197
195: ok 19198
195: ok 19199
195: ok 19200
195: ok 19201
195: ok 19202
195: ok 19203
195: ok 19204
195: ok 19205
195: ok 19206
195: ok 19207
195: ok 19208
195: ok 19209
195: ok 19210
195: ok 19211
195: ok 19212
195: ok 19213
195: ok 19214
195: ok 19215
195: ok 19216
195: ok 19217
195: ok 19218
195: ok 19219
195: ok 19220
195: ok 19221
195: ok 19222
195: ok 19223
195: ok 19224
195: ok 19225
195: ok 19226
195: ok 19227
195: ok 19228
195: ok 19229
195: ok 19230
195: ok 19231
195: ok 19232
195: ok 19233
195: ok 19234
195: ok 19235
195: ok 19236
195: ok 19237
195: ok 19238
195: ok 19239
195: ok 19240
195: ok 19241
195: ok 19242
195: ok 19243
195: ok 19244
195: ok 19245
195: ok 19246
195: ok 19247
195: ok 19248
195: ok 19249
195: ok 19250
195: ok 19251
195: ok 19252
195: ok 19253
195: ok 19254
195: ok 19255
195: ok 19256
195: ok 19257
195: ok 19258
195: ok 19259
195: ok 19260
195: ok 19261
195: ok 19262
195: ok 19263
195: ok 19264
195: ok 19265
195: ok 19266
195: ok 19267
195: ok 19268
195: ok 19269
195: ok 19270
195: ok 19271
195: ok 19272
195: ok 19273
195: ok 19274
195: ok 19275
195: ok 19276
195: ok 19277
195: ok 19278
195: ok 19279
195: ok 19280
195: ok 19281
195: ok 19282
195: ok 19283
195: ok 19284
195: ok 19285
195: ok 19286
195: ok 19287
195: ok 19288
195: ok 19289
195: ok 19290
195: ok 19291
195: ok 19292
195: ok 19293
195: ok 19294
195: ok 19295
195: ok 19296
195: ok 19297
195: ok 19298
195: ok 19299
195: ok 19300
195: ok 19301
195: ok 19302
195: ok 19303
195: ok 19304
195: ok 19305
195: ok 19306
195: ok 19307
195: ok 19308
195: ok 19309
195: ok 19310
195: ok 19311
195: ok 19312
195: ok 19313
195: ok 19314
195: ok 19315
195: ok 19316
195: ok 19317
195: ok 19318
195: ok 19319
195: ok 19320
195: ok 19321
195: ok 19322
195: ok 19323
195: ok 19324
195: ok 19325
195: ok 19326
195: ok 19327
195: ok 19328
195: ok 19329
195: ok 19330
195: ok 19331
195: ok 19332
195: ok 19333
195: ok 19334
195: ok 19335
195: ok 19336
195: ok 19337
195: ok 19338
195: ok 19339
195: ok 19340
195: ok 19341
195: ok 19342
195: ok 19343
195: ok 19344
195: ok 19345
195: ok 19346
195: ok 19347
195: ok 19348
195: ok 19349
195: ok 19350
195: ok 19351
195: ok 19352
195: ok 19353
195: ok 19354
195: ok 19355
195: ok 19356
195: ok 19357
195: ok 19358
195: ok 19359
195: ok 19360
195: ok 19361
195: ok 19362
195: ok 19363
195: ok 19364
195: ok 19365
195: ok 19366
195: ok 19367
195: ok 19368
195: ok 19369
195: ok 19370
195: ok 19371
195: ok 19372
195: ok 19373
195: ok 19374
195: ok 19375
195: ok 19376
195: ok 19377
195: ok 19378
195: ok 19379
195: ok 19380
195: ok 19381
195: ok 19382
195: ok 19383
195: ok 19384
195: ok 19385
195: ok 19386
195: ok 19387
195: ok 19388
195: ok 19389
195: ok 19390
195: ok 19391
195: ok 19392
195: ok 19393
195: ok 19394
195: ok 19395
195: ok 19396
195: ok 19397
195: ok 19398
195: ok 19399
195: ok 19400
195: ok 19401
195: ok 19402
195: ok 19403
195: ok 19404
195: ok 19405
195: ok 19406
195: ok 19407
195: ok 19408
195: ok 19409
195: ok 19410
195: ok 19411
195: ok 19412
195: ok 19413
195: ok 19414
195: ok 19415
195: ok 19416
195: ok 19417
195: ok 19418
195: ok 19419
195: ok 19420
195: ok 19421
195: ok 19422
195: ok 19423
195: ok 19424
195: ok 19425
195: ok 19426
195: ok 19427
195: ok 19428
195: ok 19429
195: ok 19430
195: ok 19431
195: ok 19432
195: ok 19433
195: ok 19434
195: ok 19435
195: ok 19436
195: ok 19437
195: ok 19438
195: ok 19439
195: ok 19440
195: ok 19441
195: ok 19442
195: ok 19443
195: ok 19444
195: ok 19445
195: ok 19446
195: ok 19447
195: ok 19448
195: ok 19449
195: ok 19450
195: ok 19451
195: ok 19452
195: ok 19453
195: ok 19454
195: ok 19455
195: ok 19456
195: ok 19457
195: ok 19458
195: ok 19459
195: ok 19460
195: ok 19461
195: ok 19462
195: ok 19463
195: ok 19464
195: ok 19465
195: ok 19466
195: ok 19467
195: ok 19468
195: ok 19469
195: ok 19470
195: ok 19471
195: ok 19472
195: ok 19473
195: ok 19474
195: ok 19475
195: ok 19476
195: ok 19477
195: ok 19478
195: ok 19479
195: ok 19480
195: ok 19481
195: ok 19482
195: ok 19483
195: ok 19484
195: ok 19485
195: ok 19486
195: ok 19487
195: ok 19488
195: ok 19489
195: ok 19490
195: ok 19491
195: ok 19492
195: ok 19493
195: ok 19494
195: ok 19495
195: ok 19496
195: ok 19497
195: ok 19498
195: ok 19499
195: ok 19500
195: ok 19501
195: ok 19502
195: ok 19503
195: ok 19504
195: ok 19505
195: ok 19506
195: ok 19507
195: ok 19508
195: ok 19509
195: ok 19510
195: ok 19511
195: ok 19512
195: ok 19513
195: ok 19514
195: ok 19515
195: ok 19516
195: ok 19517
195: ok 19518
195: ok 19519
195: ok 19520
195: ok 19521
195: ok 19522
195: ok 19523
195: ok 19524
195: ok 19525
195: ok 19526
195: ok 19527
195: ok 19528
195: ok 19529
195: ok 19530
195: ok 19531
195: ok 19532
195: ok 19533
195: ok 19534
195: ok 19535
195: ok 19536
195: ok 19537
195: ok 19538
195: ok 19539
195: ok 19540
195: ok 19541
195: ok 19542
195: ok 19543
195: ok 19544
195: ok 19545
195: ok 19546
195: ok 19547
195: ok 19548
195: ok 19549
195: ok 19550
195: ok 19551
195: ok 19552
195: ok 19553
195: ok 19554
195: ok 19555
195: ok 19556
195: ok 19557
195: ok 19558
195: ok 19559
195: ok 19560
195: ok 19561
195: ok 19562
195: ok 19563
195: ok 19564
195: ok 19565
195: ok 19566
195: ok 19567
195: ok 19568
195: ok 19569
195: ok 19570
195: ok 19571
195: ok 19572
195: ok 19573
195: ok 19574
195: ok 19575
195: ok 19576
195: ok 19577
195: ok 19578
195: ok 19579
195: ok 19580
195: ok 19581
195: ok 19582
195: ok 19583
195: ok 19584
195: ok 19585
195: ok 19586
195: ok 19587
195: ok 19588
195: ok 19589
195: ok 19590
195: ok 19591
195: ok 19592
195: ok 19593
195: ok 19594
195: ok 19595
195: ok 19596
195: ok 19597
195: ok 19598
195: ok 19599
195: ok 19600
195: ok 19601
195: ok 19602
195: ok 19603
195: ok 19604
195: ok 19605
195: ok 19606
195: ok 19607
195: ok 19608
195: ok 19609
195: ok 19610
195: ok 19611
195: ok 19612
195: ok 19613
195: ok 19614
195: ok 19615
195: ok 19616
195: ok 19617
195: ok 19618
195: ok 19619
195: ok 19620
195: ok 19621
195: ok 19622
195: ok 19623
195: ok 19624
195: ok 19625
195: ok 19626
195: ok 19627
195: ok 19628
195: ok 19629
195: ok 19630
195: ok 19631
195: ok 19632
195: ok 19633
195: ok 19634
195: ok 19635
195: ok 19636
195: ok 19637
195: ok 19638
195: ok 19639
195: ok 19640
195: ok 19641
195: ok 19642
195: ok 19643
195: ok 19644
195: ok 19645
195: ok 19646
195: ok 19647
195: ok 19648
195: ok 19649
195: ok 19650
195: ok 19651
195: ok 19652
195: ok 19653
195: ok 19654
195: ok 19655
195: ok 19656
195: ok 19657
195: ok 19658
195: ok 19659
195: ok 19660
195: ok 19661
195: ok 19662
195: ok 19663
195: ok 19664
195: ok 19665
195: ok 19666
195: ok 19667
195: ok 19668
195: ok 19669
195: ok 19670
195: ok 19671
195: ok 19672
195: ok 19673
195: ok 19674
195: ok 19675
195: ok 19676
195: ok 19677
195: ok 19678
195: ok 19679
195: ok 19680
195: ok 19681
195: ok 19682
195: ok 19683
195: ok 19684
195: ok 19685
195: ok 19686
195: ok 19687
195: ok 19688
195: ok 19689
195: ok 19690
195: ok 19691
195: ok 19692
195: ok 19693
195: ok 19694
195: ok 19695
195: ok 19696
195: ok 19697
195: ok 19698
195: ok 19699
195: ok 19700
195: ok 19701
195: ok 19702
195: ok 19703
195: ok 19704
195: ok 19705
195: ok 19706
195: ok 19707
195: ok 19708
195: ok 19709
195: ok 19710
195: ok 19711
195: ok 19712
195: ok 19713
195: ok 19714
195: ok 19715
195: ok 19716
195: ok 19717
195: ok 19718
195: ok 19719
195: ok 19720
195: ok 19721
195: ok 19722
195: ok 19723
195: ok 19724
195: ok 19725
195: ok 19726
195: ok 19727
195: ok 19728
195: ok 19729
195: ok 19730
195: ok 19731
195: ok 19732
195: ok 19733
195: ok 19734
195: ok 19735
195: ok 19736
195: ok 19737
195: ok 19738
195: ok 19739
195: ok 19740
195: ok 19741
195: ok 19742
195: ok 19743
195: ok 19744
195: ok 19745
195: ok 19746
195: ok 19747
195: ok 19748
195: ok 19749
195: ok 19750
195: ok 19751
195: ok 19752
195: ok 19753
195: ok 19754
195: ok 19755
195: ok 19756
195: ok 19757
195: ok 19758
195: ok 19759
195: ok 19760
195: ok 19761
195: ok 19762
195: ok 19763
195: ok 19764
195: ok 19765
195: ok 19766
195: ok 19767
195: ok 19768
195: ok 19769
195: ok 19770
195: ok 19771
195: ok 19772
195: ok 19773
195: ok 19774
195: ok 19775
195: ok 19776
195: ok 19777
195: ok 19778
195: ok 19779
195: ok 19780
195: ok 19781
195: ok 19782
195: ok 19783
195: ok 19784
195: ok 19785
195: ok 19786
195: ok 19787
195: ok 19788
195: ok 19789
195: ok 19790
195: ok 19791
195: ok 19792
195: ok 19793
195: ok 19794
195: ok 19795
195: ok 19796
195: ok 19797
195: ok 19798
195: ok 19799
195: ok 19800
195: ok 19801
195: ok 19802
195: ok 19803
195: ok 19804
195: ok 19805
195: ok 19806
195: ok 19807
195: ok 19808
195: ok 19809
195: ok 19810
195: ok 19811
195: ok 19812
195: ok 19813
195: ok 19814
195: ok 19815
195: ok 19816
195: ok 19817
195: ok 19818
195: ok 19819
195: ok 19820
195: ok 19821
195: ok 19822
195: ok 19823
195: ok 19824
195: ok 19825
195: ok 19826
195: ok 19827
195: ok 19828
195: ok 19829
195: ok 19830
195: ok 19831
195: ok 19832
195: ok 19833
195: ok 19834
195: ok 19835
195: ok 19836
195: ok 19837
195: ok 19838
195: ok 19839
195: ok 19840
195: ok 19841
195: ok 19842
195: ok 19843
195: ok 19844
195: ok 19845
195: ok 19846
195: ok 19847
195: ok 19848
195: ok 19849
195: ok 19850
195: ok 19851
195: ok 19852
195: ok 19853
195: ok 19854
195: ok 19855
195: ok 19856
195: ok 19857
195: ok 19858
195: ok 19859
195: ok 19860
195: ok 19861
195: ok 19862
195: ok 19863
195: ok 19864
195: ok 19865
195: ok 19866
195: ok 19867
195: ok 19868
195: ok 19869
195: ok 19870
195: ok 19871
195: ok 19872
195: ok 19873
195: ok 19874
195: ok 19875
195: ok 19876
195: ok 19877
195: ok 19878
195: ok 19879
195: ok 19880
195: ok 19881
195: ok 19882
195: ok 19883
195: ok 19884
195: ok 19885
195: ok 19886
195: ok 19887
195: ok 19888
195: ok 19889
195: ok 19890
195: ok 19891
195: ok 19892
195: ok 19893
195: ok 19894
195: ok 19895
195: ok 19896
195: ok 19897
195: ok 19898
195: ok 19899
195: ok 19900
195: ok 19901
195: ok 19902
195: ok 19903
195: ok 19904
195: ok 19905
195: ok 19906
195: ok 19907
195: ok 19908
195: ok 19909
195: ok 19910
195: ok 19911
195: ok 19912
195: ok 19913
195: ok 19914
195: ok 19915
195: ok 19916
195: ok 19917
195: ok 19918
195: ok 19919
195: ok 19920
195: ok 19921
195: ok 19922
195: ok 19923
195: ok 19924
195: ok 19925
195: ok 19926
195: ok 19927
195: ok 19928
195: ok 19929
195: ok 19930
195: ok 19931
195: ok 19932
195: ok 19933
195: ok 19934
195: ok 19935
195: ok 19936
195: ok 19937
195: ok 19938
195: ok 19939
195: ok 19940
195: ok 19941
195: ok 19942
195: ok 19943
195: ok 19944
195: ok 19945
195: ok 19946
195: ok 19947
195: ok 19948
195: ok 19949
195: ok 19950
195: ok 19951
195: ok 19952
195: ok 19953
195: ok 19954
195: ok 19955
195: ok 19956
195: ok 19957
195: ok 19958
195: ok 19959
195: ok 19960
195: ok 19961
195: ok 19962
195: ok 19963
195: ok 19964
195: ok 19965
195: ok 19966
195: ok 19967
195: ok 19968
195: ok 19969
195: ok 19970
195: ok 19971
195: ok 19972
195: ok 19973
195: ok 19974
195: ok 19975
195: ok 19976
195: ok 19977
195: ok 19978
195: ok 19979
195: ok 19980
195: ok 19981
195: ok 19982
195: ok 19983
195: ok 19984
195: ok 19985
195: ok 19986
195: ok 19987
195: ok 19988
195: ok 19989
195: ok 19990
195: ok 19991
195: ok 19992
195: ok 19993
195: ok 19994
195: ok 19995
195: ok 19996
195: ok 19997
195: ok 19998
195: ok 19999
195: ok 20000
195: ok 20001
195: ok 20002
195: ok 20003
195: ok 20004
195: ok 20005
195: ok 20006
195: ok 20007
195: ok 20008
195: ok 20009
195: ok 20010
195: ok 20011
195: ok 20012
195: ok 20013
195: ok 20014
195: ok 20015
195: ok 20016
195: ok 20017
195: ok 20018
195: ok 20019
195: ok 20020
195: ok 20021
195: ok 20022
195: ok 20023
195: ok 20024
195: ok 20025
195: ok 20026
195: ok 20027
195: ok 20028
195: ok 20029
195: ok 20030
195: ok 20031
195: ok 20032
195: ok 20033
195: ok 20034
195: ok 20035
195: ok 20036
195: ok 20037
195: ok 20038
195: ok 20039
195: ok 20040
195: ok 20041
195: ok 20042
195: ok 20043
195: ok 20044
195: ok 20045
195: ok 20046
195: ok 20047
195: ok 20048
195: ok 20049
195: ok 20050
195: ok 20051
195: ok 20052
195: ok 20053
195: ok 20054
195: ok 20055
195: ok 20056
195: ok 20057
195: ok 20058
195: ok 20059
195: ok 20060
195: ok 20061
195: ok 20062
195: ok 20063
195: ok 20064
195: ok 20065
195: ok 20066
195: ok 20067
195: ok 20068
195: ok 20069
195: ok 20070
195: ok 20071
195: ok 20072
195: ok 20073
195: ok 20074
195: ok 20075
195: ok 20076
195: ok 20077
195: ok 20078
195: ok 20079
195: ok 20080
195: ok 20081
195: ok 20082
195: ok 20083
195: ok 20084
195: ok 20085
195: ok 20086
195: ok 20087
195: ok 20088
195: ok 20089
195: ok 20090
195: ok 20091
195: ok 20092
195: ok 20093
195: ok 20094
195: ok 20095
195: ok 20096
195: ok 20097
195: ok 20098
195: ok 20099
195: ok 20100
195: ok 20101
195: ok 20102
195: ok 20103
195: ok 20104
195: ok 20105
195: ok 20106
195: ok 20107
195: ok 20108
195: ok 20109
195: ok 20110
195: ok 20111
195: ok 20112
195: ok 20113
195: ok 20114
195: ok 20115
195: ok 20116
195: ok 20117
195: ok 20118
195: ok 20119
195: ok 20120
195: ok 20121
195: ok 20122
195: ok 20123
195: ok 20124
195: ok 20125
195: ok 20126
195: ok 20127
195: ok 20128
195: ok 20129
195: ok 20130
195: ok 20131
195: ok 20132
195: ok 20133
195: ok 20134
195: ok 20135
195: ok 20136
195: ok 20137
195: ok 20138
195: ok 20139
195: ok 20140
195: ok 20141
195: ok 20142
195: ok 20143
195: ok 20144
195: ok 20145
195: ok 20146
195: ok 20147
195: ok 20148
195: ok 20149
195: ok 20150
195: ok 20151
195: ok 20152
195: ok 20153
195: ok 20154
195: ok 20155
195: ok 20156
195: ok 20157
195: ok 20158
195: ok 20159
195: ok 20160
195: ok 20161
195: ok 20162
195: ok 20163
195: ok 20164
195: ok 20165
195: ok 20166
195: ok 20167
195: ok 20168
195: ok 20169
195: ok 20170
195: ok 20171
195: ok 20172
195: ok 20173
195: ok 20174
195: ok 20175
195: ok 20176
195: ok 20177
195: ok 20178
195: ok 20179
195: ok 20180
195: ok 20181
195: ok 20182
195: ok 20183
195: ok 20184
195: ok 20185
195: ok 20186
195: ok 20187
195: ok 20188
195: ok 20189
195: ok 20190
195: ok 20191
195: ok 20192
195: ok 20193
195: ok 20194
195: ok 20195
195: ok 20196
195: ok 20197
195: ok 20198
195: ok 20199
195: ok 20200
195: ok 20201
195: ok 20202
195: ok 20203
195: ok 20204
195: ok 20205
195: ok 20206
195: ok 20207
195: ok 20208
195: ok 20209
195: ok 20210
195: ok 20211
195: ok 20212
195: ok 20213
195: ok 20214
195: ok 20215
195: ok 20216
195: ok 20217
195: ok 20218
195: ok 20219
195: ok 20220
195: ok 20221
195: ok 20222
195: ok 20223
195: ok 20224
195: ok 20225
195: ok 20226
195: ok 20227
195: ok 20228
195: ok 20229
195: ok 20230
195: ok 20231
195: ok 20232
195: ok 20233
195: ok 20234
195: ok 20235
195: ok 20236
195: ok 20237
195: ok 20238
195: ok 20239
195: ok 20240
195: ok 20241
195: ok 20242
195: ok 20243
195: ok 20244
195: ok 20245
195: ok 20246
195: ok 20247
195: ok 20248
195: ok 20249
195: ok 20250
195: ok 20251
195: ok 20252
195: ok 20253
195: ok 20254
195: ok 20255
195: ok 20256
195: ok 20257
195: ok 20258
195: ok 20259
195: ok 20260
195: ok 20261
195: ok 20262
195: ok 20263
195: ok 20264
195: ok 20265
195: ok 20266
195: ok 20267
195: ok 20268
195: ok 20269
195: ok 20270
195: ok 20271
195: ok 20272
195: ok 20273
195: ok 20274
195: ok 20275
195: ok 20276
195: ok 20277
195: ok 20278
195: ok 20279
195: ok 20280
195: ok 20281
195: ok 20282
195: ok 20283
195: ok 20284
195: ok 20285
195: ok 20286
195: ok 20287
195: ok 20288
195: ok 20289
195: ok 20290
195: ok 20291
195: ok 20292
195: ok 20293
195: ok 20294
195: ok 20295
195: ok 20296
195: ok 20297
195: ok 20298
195: ok 20299
195: ok 20300
195: ok 20301
195: ok 20302
195: ok 20303
195: ok 20304
195: ok 20305
195: ok 20306
195: ok 20307
195: ok 20308
195: ok 20309
195: ok 20310
195: ok 20311
195: ok 20312
195: ok 20313
195: ok 20314
195: ok 20315
195: ok 20316
195: ok 20317
195: ok 20318
195: ok 20319
195: ok 20320
195: ok 20321
195: ok 20322
195: ok 20323
195: ok 20324
195: ok 20325
195: ok 20326
195: ok 20327
195: ok 20328
195: ok 20329
195: ok 20330
195: ok 20331
195: ok 20332
195: ok 20333
195: ok 20334
195: ok 20335
195: ok 20336
195: ok 20337
195: ok 20338
195: ok 20339
195: ok 20340
195: ok 20341
195: ok 20342
195: ok 20343
195: ok 20344
195: ok 20345
195: ok 20346
195: ok 20347
195: ok 20348
195: ok 20349
195: ok 20350
195: ok 20351
195: ok 20352
195: ok 20353
195: ok 20354
195: ok 20355
195: ok 20356
195: ok 20357
195: ok 20358
195: ok 20359
195: ok 20360
195: ok 20361
195: ok 20362
195: ok 20363
195: ok 20364
195: ok 20365
195: ok 20366
195: ok 20367
195: ok 20368
195: ok 20369
195: ok 20370
195: ok 20371
195: ok 20372
195: ok 20373
195: ok 20374
195: ok 20375
195: ok 20376
195: ok 20377
195: ok 20378
195: ok 20379
195: ok 20380
195: ok 20381
195: ok 20382
195: ok 20383
195: ok 20384
195: ok 20385
195: ok 20386
195: ok 20387
195: ok 20388
195: ok 20389
195: ok 20390
195: ok 20391
195: ok 20392
195: ok 20393
195: ok 20394
195: ok 20395
195: ok 20396
195: ok 20397
195: ok 20398
195: ok 20399
195: ok 20400
195: ok 20401
195: ok 20402
195: ok 20403
195: ok 20404
195: ok 20405
195: ok 20406
195: ok 20407
195: ok 20408
195: ok 20409
195: ok 20410
195: ok 20411
195: ok 20412
195: ok 20413
195: ok 20414
195: ok 20415
195: ok 20416
195: ok 20417
195: ok 20418
195: ok 20419
195: ok 20420
195: ok 20421
195: ok 20422
195: ok 20423
195: ok 20424
195: ok 20425
195: ok 20426
195: ok 20427
195: ok 20428
195: ok 20429
195: ok 20430
195: ok 20431
195: ok 20432
195: ok 20433
195: ok 20434
195: ok 20435
195: ok 20436
195: ok 20437
195: ok 20438
195: ok 20439
195: ok 20440
195: ok 20441
195: ok 20442
195: ok 20443
195: ok 20444
195: ok 20445
195: ok 20446
195: ok 20447
195: ok 20448
195: ok 20449
195: ok 20450
195: ok 20451
195: ok 20452
195: ok 20453
195: ok 20454
195: ok 20455
195: ok 20456
195: ok 20457
195: ok 20458
195: ok 20459
195: ok 20460
195: ok 20461
195: ok 20462
195: ok 20463
195: ok 20464
195: ok 20465
195: ok 20466
195: ok 20467
195: ok 20468
195: ok 20469
195: ok 20470
195: ok 20471
195: ok 20472
195: ok 20473
195: ok 20474
195: ok 20475
195: ok 20476
195: ok 20477
195: ok 20478
195: ok 20479
195: ok 20480
195: ok 20481
195: ok 20482
195: ok 20483
195: ok 20484
195: ok 20485
195: ok 20486
195: ok 20487
195: ok 20488
195: ok 20489
195: ok 20490
195: ok 20491
195: ok 20492
195: ok 20493
195: ok 20494
195: ok 20495
195: ok 20496
195: ok 20497
195: ok 20498
195: ok 20499
195: ok 20500
195: ok 20501
195: ok 20502
195: ok 20503
195: ok 20504
195: ok 20505
195: ok 20506
195: ok 20507
195: ok 20508
195: ok 20509
195: ok 20510
195: ok 20511
195: ok 20512
195: ok 20513
195: ok 20514
195: ok 20515
195: ok 20516
195: ok 20517
195: ok 20518
195: ok 20519
195: ok 20520
195: ok 20521
195: ok 20522
195: ok 20523
195: ok 20524
195: ok 20525
195: ok 20526
195: ok 20527
195: ok 20528
195: ok 20529
195: ok 20530
195: ok 20531
195: ok 20532
195: ok 20533
195: ok 20534
195: ok 20535
195: ok 20536
195: ok 20537
195: ok 20538
195: ok 20539
195: ok 20540
195: ok 20541
195: ok 20542
195: ok 20543
195: ok 20544
195: ok 20545
195: ok 20546
195: ok 20547
195: ok 20548
195: ok 20549
195: ok 20550
195: ok 20551
195: ok 20552
195: ok 20553
195: ok 20554
195: ok 20555
195: ok 20556
195: ok 20557
195: ok 20558
195: ok 20559
195: ok 20560
195: ok 20561
195: ok 20562
195: ok 20563
195: ok 20564
195: ok 20565
195: ok 20566
195: ok 20567
195: ok 20568
195: ok 20569
195: ok 20570
195: ok 20571
195: ok 20572
195: ok 20573
195: ok 20574
195: ok 20575
195: ok 20576
195: ok 20577
195: ok 20578
195: ok 20579
195: ok 20580
195: ok 20581
195: ok 20582
195: ok 20583
195: ok 20584
195: ok 20585
195: ok 20586
195: ok 20587
195: ok 20588
195: ok 20589
195: ok 20590
195: ok 20591
195: ok 20592
195: ok 20593
195: ok 20594
195: ok 20595
195: ok 20596
195: ok 20597
195: ok 20598
195: ok 20599
195: ok 20600
195: ok 20601
195: ok 20602
195: ok 20603
195: ok 20604
195: ok 20605
195: ok 20606
195: ok 20607
195: ok 20608
195: ok 20609
195: ok 20610
195: ok 20611
195: ok 20612
195: ok 20613
195: ok 20614
195: ok 20615
195: ok 20616
195: ok 20617
195: ok 20618
195: ok 20619
195: ok 20620
195: ok 20621
195: ok 20622
195: ok 20623
195: ok 20624
195: ok 20625
195: ok 20626
195: ok 20627
195: ok 20628
195: ok 20629
195: ok 20630
195: ok 20631
195: ok 20632
195: ok 20633
195: ok 20634
195: ok 20635
195: ok 20636
195: ok 20637
195: ok 20638
195: ok 20639
195: ok 20640
195: ok 20641
195: ok 20642
195: ok 20643
195: ok 20644
195: ok 20645
195: ok 20646
195: ok 20647
195: ok 20648
195: ok 20649
195: ok 20650
195: ok 20651
195: ok 20652
195: ok 20653
195: ok 20654
195: ok 20655
195: ok 20656
195: ok 20657
195: ok 20658
195: ok 20659
195: ok 20660
195: ok 20661
195: ok 20662
195: ok 20663
195: ok 20664
195: ok 20665
195: ok 20666
195: ok 20667
195: ok 20668
195: ok 20669
195: ok 20670
195: ok 20671
195: ok 20672
195: ok 20673
195: ok 20674
195: ok 20675
195: ok 20676
195: ok 20677
195: ok 20678
195: ok 20679
195: ok 20680
195: ok 20681
195: ok 20682
195: ok 20683
195: ok 20684
195: ok 20685
195: ok 20686
195: ok 20687
195: ok 20688
195: ok 20689
195: ok 20690
195: ok 20691
195: ok 20692
195: ok 20693
195: ok 20694
195: ok 20695
195: ok 20696
195: ok 20697
195: ok 20698
195: ok 20699
195: ok 20700
195: ok 20701
195: ok 20702
195: ok 20703
195: ok 20704
195: ok 20705
195: ok 20706
195: ok 20707
195: ok 20708
195: ok 20709
195: ok 20710
195: ok 20711
195: ok 20712
195: ok 20713
195: ok 20714
195: ok 20715
195: ok 20716
195: ok 20717
195: ok 20718
195: ok 20719
195: ok 20720
195: ok 20721
195: ok 20722
195: ok 20723
195: ok 20724
195: ok 20725
195: ok 20726
195: ok 20727
195: ok 20728
195: ok 20729
195: ok 20730
195: ok 20731
195: ok 20732
195: ok 20733
195: ok 20734
195: ok 20735
195: ok 20736
195: ok 20737
195: ok 20738
195: ok 20739
195: ok 20740
195: ok 20741
195: ok 20742
195: ok 20743
195: ok 20744
195: ok 20745
195: ok 20746
195: ok 20747
195: ok 20748
195: ok 20749
195: ok 20750
195: ok 20751
195: ok 20752
195: ok 20753
195: ok 20754
195: ok 20755
195: ok 20756
195: ok 20757
195: ok 20758
195: ok 20759
195: ok 20760
195: ok 20761
195: ok 20762
195: ok 20763
195: ok 20764
195: ok 20765
195: ok 20766
195: ok 20767
195: ok 20768
195: ok 20769
195: ok 20770
195: ok 20771
195: ok 20772
195: ok 20773
195: ok 20774
195: ok 20775
195: ok 20776
195: ok 20777
195: ok 20778
195: ok 20779
195: ok 20780
195: ok 20781
195: ok 20782
195: ok 20783
195: ok 20784
195: ok 20785
195: ok 20786
195: ok 20787
195: ok 20788
195: ok 20789
195: ok 20790
195: ok 20791
195: ok 20792
195: ok 20793
195: ok 20794
195: ok 20795
195: ok 20796
195: ok 20797
195: ok 20798
195: ok 20799
195: ok 20800
195: ok 20801
195: ok 20802
195: ok 20803
195: ok 20804
195: ok 20805
195: ok 20806
195: ok 20807
195: ok 20808
195: ok 20809
195: ok 20810
195: ok 20811
195: ok 20812
195: ok 20813
195: ok 20814
195: ok 20815
195: ok 20816
195: ok 20817
195: ok 20818
195: ok 20819
195: ok 20820
195: ok 20821
195: ok 20822
195: ok 20823
195: ok 20824
195: ok 20825
195: ok 20826
195: ok 20827
195: ok 20828
195: ok 20829
195: ok 20830
195: ok 20831
195: ok 20832
195: ok 20833
195: ok 20834
195: ok 20835
195: ok 20836
195: ok 20837
195: ok 20838
195: ok 20839
195: ok 20840
195: ok 20841
195: ok 20842
195: ok 20843
195: ok 20844
195: ok 20845
195: ok 20846
195: ok 20847
195: ok 20848
195: ok 20849
195: ok 20850
195: ok 20851
195: ok 20852
195: ok 20853
195: ok 20854
195: ok 20855
195: ok 20856
195: ok 20857
195: ok 20858
195: ok 20859
195: ok 20860
195: ok 20861
195: ok 20862
195: ok 20863
195: ok 20864
195: ok 20865
195: ok 20866
195: ok 20867
195: ok 20868
195: ok 20869
195: ok 20870
195: ok 20871
195: ok 20872
195: ok 20873
195: ok 20874
195: ok 20875
195: ok 20876
195: ok 20877
195: ok 20878
195: ok 20879
195: ok 20880
195: ok 20881
195: ok 20882
195: ok 20883
195: ok 20884
195: ok 20885
195: ok 20886
195: ok 20887
195: ok 20888
195: ok 20889
195: ok 20890
195: ok 20891
195: ok 20892
195: ok 20893
195: ok 20894
195: ok 20895
195: ok 20896
195: ok 20897
195: ok 20898
195: ok 20899
195: ok 20900
195: ok 20901
195: ok 20902
195: ok 20903
195: ok 20904
195: ok 20905
195: ok 20906
195: ok 20907
195: ok 20908
195: ok 20909
195: ok 20910
195: ok 20911
195: ok 20912
195: ok 20913
195: ok 20914
195: ok 20915
195: ok 20916
195: ok 20917
195: ok 20918
195: ok 20919
195: ok 20920
195: ok 20921
195: ok 20922
195: ok 20923
195: ok 20924
195: ok 20925
195: ok 20926
195: ok 20927
195: ok 20928
195: ok 20929
195: ok 20930
195: ok 20931
195: ok 20932
195: ok 20933
195: ok 20934
195: ok 20935
195: ok 20936
195: ok 20937
195: ok 20938
195: ok 20939
195: ok 20940
195: ok 20941
195: ok 20942
195: ok 20943
195: ok 20944
195: ok 20945
195: ok 20946
195: ok 20947
195: ok 20948
195: ok 20949
195: ok 20950
195: ok 20951
195: ok 20952
195: ok 20953
195: ok 20954
195: ok 20955
195: ok 20956
195: ok 20957
195: ok 20958
195: ok 20959
195: ok 20960
195: ok 20961
195: ok 20962
195: ok 20963
195: ok 20964
195: ok 20965
195: ok 20966
195: ok 20967
195: ok 20968
195: ok 20969
195: ok 20970
195: ok 20971
195: ok 20972
195: ok 20973
195: ok 20974
195: ok 20975
195: ok 20976
195: ok 20977
195: ok 20978
195: ok 20979
195: ok 20980
195: ok 20981
195: ok 20982
195: ok 20983
195: ok 20984
195: ok 20985
195: ok 20986
195: ok 20987
195: ok 20988
195: ok 20989
195: ok 20990
195: ok 20991
195: ok 20992
195: ok 20993
195: ok 20994
195: ok 20995
195: ok 20996
195: ok 20997
195: ok 20998
195: ok 20999
195: ok 21000
195: ok 21001
195: ok 21002
195: ok 21003
195: ok 21004
195: ok 21005
195: ok 21006
195: ok 21007
195: ok 21008
195: ok 21009
195: ok 21010
195: ok 21011
195: ok 21012
195: ok 21013
195: ok 21014
195: ok 21015
195: ok 21016
195: ok 21017
195: ok 21018
195: ok 21019
195: ok 21020
195: ok 21021
195: ok 21022
195: ok 21023
195: ok 21024
195: ok 21025
195: ok 21026
195: ok 21027
195: ok 21028
195: ok 21029
195: ok 21030
195: ok 21031
195: ok 21032
195: ok 21033
195: ok 21034
195: ok 21035
195: ok 21036
195: ok 21037
195: ok 21038
195: ok 21039
195: ok 21040
195: ok 21041
195: ok 21042
195: ok 21043
195: ok 21044
195: ok 21045
195: ok 21046
195: ok 21047
195: ok 21048
195: ok 21049
195: ok 21050
195: ok 21051
195: ok 21052
195: ok 21053
195: ok 21054
195: ok 21055
195: ok 21056
195: ok 21057
195: ok 21058
195: ok 21059
195: ok 21060
195: ok 21061
195: ok 21062
195: ok 21063
195: ok 21064
195: ok 21065
195: ok 21066
195: ok 21067
195: ok 21068
195: ok 21069
195: ok 21070
195: ok 21071
195: ok 21072
195: ok 21073
195: ok 21074
195: ok 21075
195: ok 21076
195: ok 21077
195: ok 21078
195: ok 21079
195: ok 21080
195: ok 21081
195: ok 21082
195: ok 21083
195: ok 21084
195: ok 21085
195: ok 21086
195: ok 21087
195: ok 21088
195: ok 21089
195: ok 21090
195: ok 21091
195: ok 21092
195: ok 21093
195: ok 21094
195: ok 21095
195: ok 21096
195: ok 21097
195: ok 21098
195: ok 21099
195: ok 21100
195: ok 21101
195: ok 21102
195: ok 21103
195: ok 21104
195: ok 21105
195: ok 21106
195: ok 21107
195: ok 21108
195: ok 21109
195: ok 21110
195: ok 21111
195: ok 21112
195: ok 21113
195: ok 21114
195: ok 21115
195: ok 21116
195: ok 21117
195: ok 21118
195: ok 21119
195: ok 21120
195: ok 21121
195: ok 21122
195: ok 21123
195: ok 21124
195: ok 21125
195: ok 21126
195: ok 21127
195: ok 21128
195: ok 21129
195: ok 21130
195: ok 21131
195: ok 21132
195: ok 21133
195: ok 21134
195: ok 21135
195: ok 21136
195: ok 21137
195: ok 21138
195: ok 21139
195: ok 21140
195: ok 21141
195: ok 21142
195: ok 21143
195: ok 21144
195: ok 21145
195: ok 21146
195: ok 21147
195: ok 21148
195: ok 21149
195: ok 21150
195: ok 21151
195: ok 21152
195: ok 21153
195: ok 21154
195: ok 21155
195: ok 21156
195: ok 21157
195: ok 21158
195: ok 21159
195: ok 21160
195: ok 21161
195: ok 21162
195: ok 21163
195: ok 21164
195: ok 21165
195: ok 21166
195: ok 21167
195: ok 21168
195: ok 21169
195: ok 21170
195: ok 21171
195: ok 21172
195: ok 21173
195: ok 21174
195: ok 21175
195: ok 21176
195: ok 21177
195: ok 21178
195: ok 21179
195: ok 21180
195: ok 21181
195: ok 21182
195: ok 21183
195: ok 21184
195: ok 21185
195: ok 21186
195: ok 21187
195: ok 21188
195: ok 21189
195: ok 21190
195: ok 21191
195: ok 21192
195: ok 21193
195: ok 21194
195: ok 21195
195: ok 21196
195: ok 21197
195: ok 21198
195: ok 21199
195: ok 21200
195: ok 21201
195: ok 21202
195: ok 21203
195: ok 21204
195: ok 21205
195: ok 21206
195: ok 21207
195: ok 21208
195: ok 21209
195: ok 21210
195: ok 21211
195: ok 21212
195: ok 21213
195: ok 21214
195: ok 21215
195: ok 21216
195: ok 21217
195: ok 21218
195: ok 21219
195: ok 21220
195: ok 21221
195: ok 21222
195: ok 21223
195: ok 21224
195: ok 21225
195: ok 21226
195: ok 21227
195: ok 21228
195: ok 21229
195: ok 21230
195: ok 21231
195: ok 21232
195: ok 21233
195: ok 21234
195: ok 21235
195: ok 21236
195: ok 21237
195: ok 21238
195: ok 21239
195: ok 21240
195: ok 21241
195: ok 21242
195: ok 21243
195: ok 21244
195: ok 21245
195: ok 21246
195: ok 21247
195: ok 21248
195: ok 21249
195: ok 21250
195: ok 21251
195: ok 21252
195: ok 21253
195: ok 21254
195: ok 21255
195: ok 21256
195: ok 21257
195: ok 21258
195: ok 21259
195: ok 21260
195: ok 21261
195: ok 21262
195: ok 21263
195: ok 21264
195: ok 21265
195: ok 21266
195: ok 21267
195: ok 21268
195: ok 21269
195: ok 21270
195: ok 21271
195: ok 21272
195: ok 21273
195: ok 21274
195: ok 21275
195: ok 21276
195: ok 21277
195: ok 21278
195: ok 21279
195: ok 21280
195: ok 21281
195: ok 21282
195: ok 21283
195: ok 21284
195: ok 21285
195: ok 21286
195: ok 21287
195: ok 21288
195: ok 21289
195: ok 21290
195: ok 21291
195: ok 21292
195: ok 21293
195: ok 21294
195: ok 21295
195: ok 21296
195: ok 21297
195: ok 21298
195: ok 21299
195: ok 21300
195: ok 21301
195: ok 21302
195: ok 21303
195: ok 21304
195: ok 21305
195: ok 21306
195: ok 21307
195: ok 21308
195: ok 21309
195: ok 21310
195: ok 21311
195: ok 21312
195: ok 21313
195: ok 21314
195: ok 21315
195: ok 21316
195: ok 21317
195: ok 21318
195: ok 21319
195: ok 21320
195: ok 21321
195: ok 21322
195: ok 21323
195: ok 21324
195: ok 21325
195: ok 21326
195: ok 21327
195: ok 21328
195: ok 21329
195: ok 21330
195: ok 21331
195: ok 21332
195: ok 21333
195: ok 21334
195: ok 21335
195: ok 21336
195: ok 21337
195: ok 21338
195: ok 21339
195: ok 21340
195: ok 21341
195: ok 21342
195: ok 21343
195: ok 21344
195: ok 21345
195: ok 21346
195: ok 21347
195: ok 21348
195: ok 21349
195: ok 21350
195: ok 21351
195: ok 21352
195: ok 21353
195: ok 21354
195: ok 21355
195: ok 21356
195: ok 21357
195: ok 21358
195: ok 21359
195: ok 21360
195: ok 21361
195: ok 21362
195: ok 21363
195: ok 21364
195: ok 21365
195: ok 21366
195: ok 21367
195: ok 21368
195: ok 21369
195: ok 21370
195: ok 21371
195: ok 21372
195: ok 21373
195: ok 21374
195: ok 21375
195: ok 21376
195: ok 21377
195: ok 21378
195: ok 21379
195: ok 21380
195: ok 21381
195: ok 21382
195: ok 21383
195: ok 21384
195: ok 21385
195: ok 21386
195: ok 21387
195: ok 21388
195: ok 21389
195: ok 21390
195: ok 21391
195: ok 21392
195: ok 21393
195: ok 21394
195: ok 21395
195: ok 21396
195: ok 21397
195: ok 21398
195: ok 21399
195: ok 21400
195: ok 21401
195: ok 21402
195: ok 21403
195: ok 21404
195: ok 21405
195: ok 21406
195: ok 21407
195: ok 21408
195: ok 21409
195: ok 21410
195: ok 21411
195: ok 21412
195: ok 21413
195: ok 21414
195: ok 21415
195: ok 21416
195: ok 21417
195: ok 21418
195: ok 21419
195: ok 21420
195: ok 21421
195: ok 21422
195: ok 21423
195: ok 21424
195: ok 21425
195: ok 21426
195: ok 21427
195: ok 21428
195: ok 21429
195: ok 21430
195: ok 21431
195: ok 21432
195: ok 21433
195: ok 21434
195: ok 21435
195: ok 21436
195: ok 21437
195: ok 21438
195: ok 21439
195: ok 21440
195: ok 21441
195: ok 21442
195: ok 21443
195: ok 21444
195: ok 21445
195: ok 21446
195: ok 21447
195: ok 21448
195: ok 21449
195: ok 21450
195: ok 21451
195: ok 21452
195: ok 21453
195: ok 21454
195: ok 21455
195: ok 21456
195: ok 21457
195: ok 21458
195: ok 21459
195: ok 21460
195: ok 21461
195: ok 21462
195: ok 21463
195: ok 21464
195: ok 21465
195: ok 21466
195: ok 21467
195: ok 21468
195: ok 21469
195: ok 21470
195: ok 21471
195: ok 21472
195: ok 21473
195: ok 21474
195: ok 21475
195: ok 21476
195: ok 21477
195: ok 21478
195: ok 21479
195: ok 21480
195: ok 21481
195: ok 21482
195: ok 21483
195: ok 21484
195: ok 21485
195: ok 21486
195: ok 21487
195: ok 21488
195: ok 21489
195: ok 21490
195: ok 21491
195: ok 21492
195: ok 21493
195: ok 21494
195: ok 21495
195: ok 21496
195: ok 21497
195: ok 21498
195: ok 21499
195: ok 21500
195: ok 21501
195: ok 21502
195: ok 21503
195: ok 21504
195: ok 21505
195: ok 21506
195: ok 21507
195: ok 21508
195: ok 21509
195: ok 21510
195: ok 21511
195: ok 21512
195: ok 21513
195: ok 21514
195: ok 21515
195: ok 21516
195: ok 21517
195: ok 21518
195: ok 21519
195: ok 21520
195: ok 21521
195: ok 21522
195: ok 21523
195: ok 21524
195: ok 21525
195: ok 21526
195: ok 21527
195: ok 21528
195: ok 21529
195: ok 21530
195: ok 21531
195: ok 21532
195: ok 21533
195: ok 21534
195: ok 21535
195: ok 21536
195: ok 21537
195: ok 21538
195: ok 21539
195: ok 21540
195: ok 21541
195: ok 21542
195: ok 21543
195: ok 21544
195: ok 21545
195: ok 21546
195: ok 21547
195: ok 21548
195: ok 21549
195: ok 21550
195: ok 21551
195: ok 21552
195: ok 21553
195: ok 21554
195: ok 21555
195: ok 21556
195: ok 21557
195: ok 21558
195: ok 21559
195: ok 21560
195: ok 21561
195: ok 21562
195: ok 21563
195: ok 21564
195: ok 21565
195: ok 21566
195: ok 21567
195: ok 21568
195: ok 21569
195: ok 21570
195: ok 21571
195: ok 21572
195: ok 21573
195: ok 21574
195: ok 21575
195: ok 21576
195: ok 21577
195: ok 21578
195: ok 21579
195: ok 21580
195: ok 21581
195: ok 21582
195: ok 21583
195: ok 21584
195: ok 21585
195: ok 21586
195: ok 21587
195: ok 21588
195: ok 21589
195: ok 21590
195: ok 21591
195: ok 21592
195: ok 21593
195: ok 21594
195: ok 21595
195: ok 21596
195: ok 21597
195: ok 21598
195: ok 21599
195: ok 21600
195: ok 21601
195: ok 21602
195: ok 21603
195: ok 21604
195: ok 21605
195: ok 21606
195: ok 21607
195: ok 21608
195: ok 21609
195: ok 21610
195: ok 21611
195: ok 21612
195: ok 21613
195: ok 21614
195: ok 21615
195: ok 21616
195: ok 21617
195: ok 21618
195: ok 21619
195: ok 21620
195: ok 21621
195: ok 21622
195: ok 21623
195: ok 21624
195: ok 21625
195: ok 21626
195: ok 21627
195: ok 21628
195: ok 21629
195: ok 21630
195: ok 21631
195: ok 21632
195: ok 21633
195: ok 21634
195: ok 21635
195: ok 21636
195: ok 21637
195: ok 21638
195: ok 21639
195: ok 21640
195: ok 21641
195: ok 21642
195: ok 21643
195: ok 21644
195: ok 21645
195: ok 21646
195: ok 21647
195: ok 21648
195: ok 21649
195: ok 21650
195: ok 21651
195: ok 21652
195: ok 21653
195: ok 21654
195: ok 21655
195: ok 21656
195: ok 21657
195: ok 21658
195: ok 21659
195: ok 21660
195: ok 21661
195: ok 21662
195: ok 21663
195: ok 21664
195: ok 21665
195: ok 21666
195: ok 21667
195: ok 21668
195: ok 21669
195: ok 21670
195: ok 21671
195: ok 21672
195: ok 21673
195: ok 21674
195: ok 21675
195: ok 21676
195: ok 21677
195: ok 21678
195: ok 21679
195: ok 21680
195: ok 21681
195: ok 21682
195: ok 21683
195: ok 21684
195: ok 21685
195: ok 21686
195: ok 21687
195: ok 21688
195: ok 21689
195: ok 21690
195: ok 21691
195: ok 21692
195: ok 21693
195: ok 21694
195: ok 21695
195: ok 21696
195: ok 21697
195: ok 21698
195: ok 21699
195: ok 21700
195: ok 21701
195: ok 21702
195: ok 21703
195: ok 21704
195: ok 21705
195: ok 21706
195: ok 21707
195: ok 21708
195: ok 21709
195: ok 21710
195: ok 21711
195: ok 21712
195: ok 21713
195: ok 21714
195: ok 21715
195: ok 21716
195: ok 21717
195: ok 21718
195: ok 21719
195: ok 21720
195: ok 21721
195: ok 21722
195: ok 21723
195: ok 21724
195: ok 21725
195: ok 21726
195: ok 21727
195: ok 21728
195: ok 21729
195: ok 21730
195: ok 21731
195: ok 21732
195: ok 21733
195: ok 21734
195: ok 21735
195: ok 21736
195: ok 21737
195: ok 21738
195: ok 21739
195: ok 21740
195: ok 21741
195: ok 21742
195: ok 21743
195: ok 21744
195: ok 21745
195: ok 21746
195: ok 21747
195: ok 21748
195: ok 21749
195: ok 21750
195: ok 21751
195: ok 21752
195: ok 21753
195: ok 21754
195: ok 21755
195: ok 21756
195: ok 21757
195: ok 21758
195: ok 21759
195: ok 21760
195: ok 21761
195: ok 21762
195: ok 21763
195: ok 21764
195: ok 21765
195: ok 21766
195: ok 21767
195: ok 21768
195: ok 21769
195: ok 21770
195: ok 21771
195: ok 21772
195: ok 21773
195: ok 21774
195: ok 21775
195: ok 21776
195: ok 21777
195: ok 21778
195: ok 21779
195: ok 21780
195: ok 21781
195: ok 21782
195: ok 21783
195: ok 21784
195: ok 21785
195: ok 21786
195: ok 21787
195: ok 21788
195: ok 21789
195: ok 21790
195: ok 21791
195: ok 21792
195: ok 21793
195: ok 21794
195: ok 21795
195: ok 21796
195: ok 21797
195: ok 21798
195: ok 21799
195: ok 21800
195: ok 21801
195: ok 21802
195: ok 21803
195: ok 21804
195: ok 21805
195: ok 21806
195: ok 21807
195: ok 21808
195: ok 21809
195: ok 21810
195: ok 21811
195: ok 21812
195: ok 21813
195: ok 21814
195: ok 21815
195: ok 21816
195: ok 21817
195: ok 21818
195: ok 21819
195: ok 21820
195: ok 21821
195: ok 21822
195: ok 21823
195: ok 21824
195: ok 21825
195: ok 21826
195: ok 21827
195: ok 21828
195: ok 21829
195: ok 21830
195: ok 21831
195: ok 21832
195: ok 21833
195: ok 21834
195: ok 21835
195: ok 21836
195: ok 21837
195: ok 21838
195: ok 21839
195: ok 21840
195: ok 21841
195: ok 21842
195: ok 21843
195: ok 21844
195: ok 21845
195: ok 21846
195: ok 21847
195: ok 21848
195: ok 21849
195: ok 21850
195: ok 21851
195: ok 21852
195: ok 21853
195: ok 21854
195: ok 21855
195: ok 21856
195: ok 21857
195: ok 21858
195: ok 21859
195: ok 21860
195: ok 21861
195: ok 21862
195: ok 21863
195: ok 21864
195: ok 21865
195: ok 21866
195: ok 21867
195: ok 21868
195: ok 21869
195: ok 21870
195: ok 21871
195: ok 21872
195: ok 21873
195: ok 21874
195: ok 21875
195: ok 21876
195: ok 21877
195: ok 21878
195: ok 21879
195: ok 21880
195: ok 21881
195: ok 21882
195: ok 21883
195: ok 21884
195: ok 21885
195: ok 21886
195: ok 21887
195: ok 21888
195: ok 21889
195: ok 21890
195: ok 21891
195: ok 21892
195: ok 21893
195: ok 21894
195: ok 21895
195: ok 21896
195: ok 21897
195: ok 21898
195: ok 21899
195: ok 21900
195: ok 21901
195: ok 21902
195: ok 21903
195: ok 21904
195: ok 21905
195: ok 21906
195: ok 21907
195: ok 21908
195: ok 21909
195: ok 21910
195: ok 21911
195: ok 21912
195: ok 21913
195: ok 21914
195: ok 21915
195: ok 21916
195: ok 21917
195: ok 21918
195: ok 21919
195: ok 21920
195: ok 21921
195: ok 21922
195: ok 21923
195: ok 21924
195: ok 21925
195: ok 21926
195: ok 21927
195: ok 21928
195: ok 21929
195: ok 21930
195: ok 21931
195: ok 21932
195: ok 21933
195: ok 21934
195: ok 21935
195: ok 21936
195: ok 21937
195: ok 21938
195: ok 21939
195: ok 21940
195: ok 21941
195: ok 21942
195: ok 21943
195: ok 21944
195: ok 21945
195: ok 21946
195: ok 21947
195: ok 21948
195: ok 21949
195: ok 21950
195: ok 21951
195: ok 21952
195: ok 21953
195: ok 21954
195: ok 21955
195: ok 21956
195: ok 21957
195: ok 21958
195: ok 21959
195: ok 21960
195: ok 21961
195: ok 21962
195: ok 21963
195: ok 21964
195: ok 21965
195: ok 21966
195: ok 21967
195: ok 21968
195: ok 21969
195: ok 21970
195: ok 21971
195: ok 21972
195: ok 21973
195: ok 21974
195: ok 21975
195: ok 21976
195: ok 21977
195: ok 21978
195: ok 21979
195: ok 21980
195: ok 21981
195: ok 21982
195: ok 21983
195: ok 21984
195: ok 21985
195: ok 21986
195: ok 21987
195: ok 21988
195: ok 21989
195: ok 21990
195: ok 21991
195: ok 21992
195: ok 21993
195: ok 21994
195: ok 21995
195: ok 21996
195: ok 21997
195: ok 21998
195: ok 21999
195: ok 22000
195: ok 22001
195: ok 22002
195: ok 22003
195: ok 22004
195: ok 22005
195: ok 22006
195: ok 22007
195: ok 22008
195: ok 22009
195: ok 22010
195: ok 22011
195: ok 22012
195: ok 22013
195: ok 22014
195: ok 22015
195: ok 22016
195: ok 22017
195: ok 22018
195: ok 22019
195: ok 22020
195: ok 22021
195: ok 22022
195: ok 22023
195: ok 22024
195: ok 22025
195: ok 22026
195: ok 22027
195: ok 22028
195: ok 22029
195: ok 22030
195: ok 22031
195: ok 22032
195: ok 22033
195: ok 22034
195: ok 22035
195: ok 22036
195: ok 22037
195: ok 22038
195: ok 22039
195: ok 22040
195: ok 22041
195: ok 22042
195: ok 22043
195: ok 22044
195: ok 22045
195: ok 22046
195: ok 22047
195: ok 22048
195: ok 22049
195: ok 22050
195: ok 22051
195: ok 22052
195: ok 22053
195: ok 22054
195: ok 22055
195: ok 22056
195: ok 22057
195: ok 22058
195: ok 22059
195: ok 22060
195: ok 22061
195: ok 22062
195: ok 22063
195: ok 22064
195: ok 22065
195: ok 22066
195: ok 22067
195: ok 22068
195: ok 22069
195: ok 22070
195: ok 22071
195: ok 22072
195: ok 22073
195: ok 22074
195: ok 22075
195: ok 22076
195: ok 22077
195: ok 22078
195: ok 22079
195: ok 22080
195: ok 22081
195: ok 22082
195: ok 22083
195: ok 22084
195: ok 22085
195: ok 22086
195: ok 22087
195: ok 22088
195: ok 22089
195: ok 22090
195: ok 22091
195: ok 22092
195: ok 22093
195: ok 22094
195: ok 22095
195: ok 22096
195: ok 22097
195: ok 22098
195: ok 22099
195: ok 22100
195: ok 22101
195: ok 22102
195: ok 22103
195: ok 22104
195: ok 22105
195: ok 22106
195: ok 22107
195: ok 22108
195: ok 22109
195: ok 22110
195: ok 22111
195: ok 22112
195: ok 22113
195: ok 22114
195: ok 22115
195: ok 22116
195: ok 22117
195: ok 22118
195: ok 22119
195: ok 22120
195: ok 22121
195: ok 22122
195: ok 22123
195: ok 22124
195: ok 22125
195: ok 22126
195: ok 22127
195: ok 22128
195: ok 22129
195: ok 22130
195: ok 22131
195: ok 22132
195: ok 22133
195: ok 22134
195: ok 22135
195: ok 22136
195: ok 22137
195: ok 22138
195: ok 22139
195: ok 22140
195: ok 22141
195: ok 22142
195: ok 22143
195: ok 22144
195: ok 22145
195: ok 22146
195: ok 22147
195: ok 22148
195: ok 22149
195: ok 22150
195: ok 22151
195: ok 22152
195: ok 22153
195: ok 22154
195: ok 22155
195: ok 22156
195: ok 22157
195: ok 22158
195: ok 22159
195: ok 22160
195: ok 22161
195: ok 22162
195: ok 22163
195: ok 22164
195: ok 22165
195: ok 22166
195: ok 22167
195: ok 22168
195: ok 22169
195: ok 22170
195: ok 22171
195: ok 22172
195: ok 22173
195: ok 22174
195: ok 22175
195: ok 22176
195: ok 22177
195: ok 22178
195: ok 22179
195: ok 22180
195: ok 22181
195: ok 22182
195: ok 22183
195: ok 22184
195: ok 22185
195: ok 22186
195: ok 22187
195: ok 22188
195: ok 22189
195: ok 22190
195: ok 22191
195: ok 22192
195: ok 22193
195: ok 22194
195: ok 22195
195: ok 22196
195: ok 22197
195: ok 22198
195: ok 22199
195: ok 22200
195: ok 22201
195: ok 22202
195: ok 22203
195: ok 22204
195: ok 22205
195: ok 22206
195: ok 22207
195: ok 22208
195: ok 22209
195: ok 22210
195: ok 22211
195: ok 22212
195: ok 22213
195: ok 22214
195: ok 22215
195: ok 22216
195: ok 22217
195: ok 22218
195: ok 22219
195: ok 22220
195: ok 22221
195: ok 22222
195: ok 22223
195: ok 22224
195: ok 22225
195: ok 22226
195: ok 22227
195: ok 22228
195: ok 22229
195: ok 22230
195: ok 22231
195: ok 22232
195: ok 22233
195: ok 22234
195: ok 22235
195: ok 22236
195: ok 22237
195: ok 22238
195: ok 22239
195: ok 22240
195: ok 22241
195: ok 22242
195: ok 22243
195: ok 22244
195: ok 22245
195: ok 22246
195: ok 22247
195: ok 22248
195: ok 22249
195: ok 22250
195: ok 22251
195: ok 22252
195: ok 22253
195: ok 22254
195: ok 22255
195: ok 22256
195: ok 22257
195: ok 22258
195: ok 22259
195: ok 22260
195: ok 22261
195: ok 22262
195: ok 22263
195: ok 22264
195: ok 22265
195: ok 22266
195: ok 22267
195: ok 22268
195: ok 22269
195: ok 22270
195: ok 22271
195: ok 22272
195: ok 22273
195: ok 22274
195: ok 22275
195: ok 22276
195: ok 22277
195: ok 22278
195: ok 22279
195: ok 22280
195: ok 22281
195: ok 22282
195: ok 22283
195: ok 22284
195: ok 22285
195: ok 22286
195: ok 22287
195: ok 22288
195: ok 22289
195: ok 22290
195: ok 22291
195: ok 22292
195: ok 22293
195: ok 22294
195: ok 22295
195: ok 22296
195: ok 22297
195: ok 22298
195: ok 22299
195: ok 22300
195: ok 22301
195: ok 22302
195: ok 22303
195: ok 22304
195: ok 22305
195: ok 22306
195: ok 22307
195: ok 22308
195: ok 22309
195: ok 22310
195: ok 22311
195: ok 22312
195: ok 22313
195: ok 22314
195: ok 22315
195: ok 22316
195: ok 22317
195: ok 22318
195: ok 22319
195: ok 22320
195: ok 22321
195: ok 22322
195: ok 22323
195: ok 22324
195: ok 22325
195: ok 22326
195: ok 22327
195: ok 22328
195: ok 22329
195: ok 22330
195: ok 22331
195: ok 22332
195: ok 22333
195: ok 22334
195: ok 22335
195: ok 22336
195: ok 22337
195: ok 22338
195: ok 22339
195: ok 22340
195: ok 22341
195: ok 22342
195: ok 22343
195: ok 22344
195: ok 22345
195: ok 22346
195: ok 22347
195: ok 22348
195: ok 22349
195: ok 22350
195: ok 22351
195: ok 22352
195: ok 22353
195: ok 22354
195: ok 22355
195: ok 22356
195: ok 22357
195: ok 22358
195: ok 22359
195: ok 22360
195: ok 22361
195: ok 22362
195: ok 22363
195: ok 22364
195: ok 22365
195: ok 22366
195: ok 22367
195: ok 22368
195: ok 22369
195: ok 22370
195: ok 22371
195: ok 22372
195: ok 22373
195: ok 22374
195: ok 22375
195: ok 22376
195: ok 22377
195: ok 22378
195: ok 22379
195: ok 22380
195: ok 22381
195: ok 22382
195: ok 22383
195: ok 22384
195: ok 22385
195: ok 22386
195: ok 22387
195: ok 22388
195: ok 22389
195: ok 22390
195: ok 22391
195: ok 22392
195: ok 22393
195: ok 22394
195: ok 22395
195: ok 22396
195: ok 22397
195: ok 22398
195: ok 22399
195: ok 22400
195: ok 22401
195: ok 22402
195: ok 22403
195: ok 22404
195: ok 22405
195: ok 22406
195: ok 22407
195: ok 22408
195: ok 22409
195: ok 22410
195: ok 22411
195: ok 22412
195: ok 22413
195: ok 22414
195: ok 22415
195: ok 22416
195: ok 22417
195: ok 22418
195: ok 22419
195: ok 22420
195: ok 22421
195: ok 22422
195: ok 22423
195: ok 22424
195: ok 22425
195: ok 22426
195: ok 22427
195: ok 22428
195: ok 22429
195: ok 22430
195: ok 22431
195: ok 22432
195: ok 22433
195: ok 22434
195: ok 22435
195: ok 22436
195: ok 22437
195: ok 22438
195: ok 22439
195: ok 22440
195: ok 22441
195: ok 22442
195: ok 22443
195: ok 22444
195: ok 22445
195: ok 22446
195: ok 22447
195: ok 22448
195: ok 22449
195: ok 22450
195: ok 22451
195: ok 22452
195: ok 22453
195: ok 22454
195: ok 22455
195: ok 22456
195: ok 22457
195: ok 22458
195: ok 22459
195: ok 22460
195: ok 22461
195: ok 22462
195: ok 22463
195: ok 22464
195: ok 22465
195: ok 22466
195: ok 22467
195: ok 22468
195: ok 22469
195: ok 22470
195: ok 22471
195: ok 22472
195: ok 22473
195: ok 22474
195: ok 22475
195: ok 22476
195: ok 22477
195: ok 22478
195: ok 22479
195: ok 22480
195: ok 22481
195: ok 22482
195: ok 22483
195: ok 22484
195: ok 22485
195: ok 22486
195: ok 22487
195: ok 22488
195: ok 22489
195: ok 22490
195: ok 22491
195: ok 22492
195: ok 22493
195: ok 22494
195: ok 22495
195: ok 22496
195: ok 22497
195: ok 22498
195: ok 22499
195: ok 22500
195: ok 22501
195: ok 22502
195: ok 22503
195: ok 22504
195: ok 22505
195: ok 22506
195: ok 22507
195: ok 22508
195: ok 22509
195: ok 22510
195: ok 22511
195: ok 22512
195: ok 22513
195: ok 22514
195: ok 22515
195: ok 22516
195: ok 22517
195: ok 22518
195: ok 22519
195: ok 22520
195: ok 22521
195: ok 22522
195: ok 22523
195: ok 22524
195: ok 22525
195: ok 22526
195: ok 22527
195: ok 22528
195: ok 22529
195: ok 22530
195: ok 22531
195: ok 22532
195: ok 22533
195: ok 22534
195: ok 22535
195: ok 22536
195: ok 22537
195: ok 22538
195: ok 22539
195: ok 22540
195: ok 22541
195: ok 22542
195: ok 22543
195: ok 22544
195: ok 22545
195: ok 22546
195: ok 22547
195: ok 22548
195: ok 22549
195: ok 22550
195: ok 22551
195: ok 22552
195: ok 22553
195: ok 22554
195: ok 22555
195: ok 22556
195: ok 22557
195: ok 22558
195: ok 22559
195: ok 22560
195: ok 22561
195: ok 22562
195: ok 22563
195: ok 22564
195: ok 22565
195: ok 22566
195: ok 22567
195: ok 22568
195: ok 22569
195: ok 22570
195: ok 22571
195: ok 22572
195: ok 22573
195: ok 22574
195: ok 22575
195: ok 22576
195: ok 22577
195: ok 22578
195: ok 22579
195: ok 22580
195: ok 22581
195: ok 22582
195: ok 22583
195: ok 22584
195: ok 22585
195: ok 22586
195: ok 22587
195: ok 22588
195: ok 22589
195: ok 22590
195: ok 22591
195: ok 22592
195: ok 22593
195: ok 22594
195: ok 22595
195: ok 22596
195: ok 22597
195: ok 22598
195: ok 22599
195: ok 22600
195: ok 22601
195: ok 22602
195: ok 22603
195: ok 22604
195: ok 22605
195: ok 22606
195: ok 22607
195: ok 22608
195: ok 22609
195: ok 22610
195: ok 22611
195: ok 22612
195: ok 22613
195: ok 22614
195: ok 22615
195: ok 22616
195: ok 22617
195: ok 22618
195: ok 22619
195: ok 22620
195: ok 22621
195: ok 22622
195: ok 22623
195: ok 22624
195: ok 22625
195: ok 22626
195: ok 22627
195: ok 22628
195: ok 22629
195: ok 22630
195: ok 22631
195: ok 22632
195: ok 22633
195: ok 22634
195: ok 22635
195: ok 22636
195: ok 22637
195: ok 22638
195: ok 22639
195: ok 22640
195: ok 22641
195: ok 22642
195: ok 22643
195: ok 22644
195: ok 22645
195: ok 22646
195: ok 22647
195: ok 22648
195: ok 22649
195: ok 22650
195: ok 22651
195: ok 22652
195: ok 22653
195: ok 22654
195: ok 22655
195: ok 22656
195: ok 22657
195: ok 22658
195: ok 22659
195: ok 22660
195: ok 22661
195: ok 22662
195: ok 22663
195: ok 22664
195: ok 22665
195: ok 22666
195: ok 22667
195: ok 22668
195: ok 22669
195: ok 22670
195: ok 22671
195: ok 22672
195: ok 22673
195: ok 22674
195: ok 22675
195: ok 22676
195: ok 22677
195: ok 22678
195: ok 22679
195: ok 22680
195: ok 22681
195: ok 22682
195: ok 22683
195: ok 22684
195: ok 22685
195: ok 22686
195: ok 22687
195: ok 22688
195: ok 22689
195: ok 22690
195: ok 22691
195: ok 22692
195: ok 22693
195: ok 22694
195: ok 22695
195: ok 22696
195: ok 22697
195: ok 22698
195: ok 22699
195: ok 22700
195: ok 22701
195: ok 22702
195: ok 22703
195: ok 22704
195: ok 22705
195: ok 22706
195: ok 22707
195: ok 22708
195: ok 22709
195: ok 22710
195: ok 22711
195: ok 22712
195: ok 22713
195: ok 22714
195: ok 22715
195: ok 22716
195: ok 22717
195: ok 22718
195: ok 22719
195: ok 22720
195: ok 22721
195: ok 22722
195: ok 22723
195: ok 22724
195: ok 22725
195: ok 22726
195: ok 22727
195: ok 22728
195: ok 22729
195: ok 22730
195: ok 22731
195: ok 22732
195: ok 22733
195: ok 22734
195: ok 22735
195: ok 22736
195: ok 22737
195: ok 22738
195: ok 22739
195: ok 22740
195: ok 22741
195: ok 22742
195: ok 22743
195: ok 22744
195: ok 22745
195: ok 22746
195: ok 22747
195: ok 22748
195: ok 22749
195: ok 22750
195: ok 22751
195: ok 22752
195: ok 22753
195: ok 22754
195: ok 22755
195: ok 22756
195: ok 22757
195: ok 22758
195: ok 22759
195: ok 22760
195: ok 22761
195: ok 22762
195: ok 22763
195: ok 22764
195: ok 22765
195: ok 22766
195: ok 22767
195: ok 22768
195: ok 22769
195: ok 22770
195: ok 22771
195: ok 22772
195: ok 22773
195: ok 22774
195: ok 22775
195: ok 22776
195: ok 22777
195: ok 22778
195: ok 22779
195: ok 22780
195: ok 22781
195: ok 22782
195: ok 22783
195: ok 22784
195: ok 22785
195: ok 22786
195: ok 22787
195: ok 22788
195: ok 22789
195: ok 22790
195: ok 22791
195: ok 22792
195: ok 22793
195: ok 22794
195: ok 22795
195: ok 22796
195: ok 22797
195: ok 22798
195: ok 22799
195: ok 22800
195: ok 22801
195: ok 22802
195: ok 22803
195: ok 22804
195: ok 22805
195: ok 22806
195: ok 22807
195: ok 22808
195: ok 22809
195: ok 22810
195: ok 22811
195: ok 22812
195: ok 22813
195: ok 22814
195: ok 22815
195: ok 22816
195: ok 22817
195: ok 22818
195: ok 22819
195: ok 22820
195: ok 22821
195: ok 22822
195: ok 22823
195: ok 22824
195: ok 22825
195: ok 22826
195: ok 22827
195: ok 22828
195: ok 22829
195: ok 22830
195: ok 22831
195: ok 22832
195: ok 22833
195: ok 22834
195: ok 22835
195: ok 22836
195: ok 22837
195: ok 22838
195: ok 22839
195: ok 22840
195: ok 22841
195: ok 22842
195: ok 22843
195: ok 22844
195: ok 22845
195: ok 22846
195: ok 22847
195: ok 22848
195: ok 22849
195: ok 22850
195: ok 22851
195: ok 22852
195: ok 22853
195: ok 22854
195: ok 22855
195: ok 22856
195: ok 22857
195: ok 22858
195: ok 22859
195: ok 22860
195: ok 22861
195: ok 22862
195: ok 22863
195: ok 22864
195: ok 22865
195: ok 22866
195: ok 22867
195: ok 22868
195: ok 22869
195: ok 22870
195: ok 22871
195: ok 22872
195: ok 22873
195: ok 22874
195: ok 22875
195: ok 22876
195: ok 22877
195: ok 22878
195: ok 22879
195: ok 22880
195: ok 22881
195: ok 22882
195: ok 22883
195: ok 22884
195: ok 22885
195: ok 22886
195: ok 22887
195: ok 22888
195: ok 22889
195: ok 22890
195: ok 22891
195: ok 22892
195: ok 22893
195: ok 22894
195: ok 22895
195: ok 22896
195: ok 22897
195: ok 22898
195: ok 22899
195: ok 22900
195: ok 22901
195: ok 22902
195: ok 22903
195: ok 22904
195: ok 22905
195: ok 22906
195: ok 22907
195: ok 22908
195: ok 22909
195: ok 22910
195: ok 22911
195: ok 22912
195: ok 22913
195: ok 22914
195: ok 22915
195: ok 22916
195: ok 22917
195: ok 22918
195: ok 22919
195: ok 22920
195: ok 22921
195: ok 22922
195: ok 22923
195: ok 22924
195: ok 22925
195: ok 22926
195: ok 22927
195: ok 22928
195: ok 22929
195: ok 22930
195: ok 22931
195: ok 22932
195: ok 22933
195: ok 22934
195: ok 22935
195: ok 22936
195: ok 22937
195: ok 22938
195: ok 22939
195: ok 22940
195: ok 22941
195: ok 22942
195: ok 22943
195: ok 22944
195: ok 22945
195: ok 22946
195: ok 22947
195: ok 22948
195: ok 22949
195: ok 22950
195: ok 22951
195: ok 22952
195: ok 22953
195: ok 22954
195: ok 22955
195: ok 22956
195: ok 22957
195: ok 22958
195: ok 22959
195: ok 22960
195: ok 22961
195: ok 22962
195: ok 22963
195: ok 22964
195: ok 22965
195: ok 22966
195: ok 22967
195: ok 22968
195: ok 22969
195: ok 22970
195: ok 22971
195: ok 22972
195: ok 22973
195: ok 22974
195: ok 22975
195: ok 22976
195: ok 22977
195: ok 22978
195: ok 22979
195: ok 22980
195: ok 22981
195: ok 22982
195: ok 22983
195: ok 22984
195: ok 22985
195: ok 22986
195: ok 22987
195: ok 22988
195: ok 22989
195: ok 22990
195: ok 22991
195: ok 22992
195: ok 22993
195: ok 22994
195: ok 22995
195: ok 22996
195: ok 22997
195: ok 22998
195: ok 22999
195: ok 23000
195: # math: passed testDistancesAnglesOrthogonality
195: 1..23000
195: # math: all tests are successful
181:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
181:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
181:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
181:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
181:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
181:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
181:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
181:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
181:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
181:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
181:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
181:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
181:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       (  0.197,   1.934,  -0.224)  (  0.197,   1.941,  -0.201)  ( 0.01,  0.38,  0.52)
181:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
181:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
181:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
181:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
181:     electro (  0.875,  -0.697,   0.340)  (  0.875,  -0.697,   0.340)  ( 0.00,  0.00,  0.00)
181: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
181:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
181:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
181:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
181:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
181:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
181:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
181:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
181:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
181:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
181:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
181:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
181:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
181:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
181:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
181:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
181:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
181:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
181:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
181:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
181:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
181:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
181:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
181:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
181:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
181:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
181:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
181:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
181:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
181:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
181:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
181:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
181:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
181:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
181:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
181:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
181:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
181:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
181:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
181:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
181:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
181:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
181:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
181:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
181:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
181:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
181:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
181:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
179:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
179:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
179:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
179:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
179:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
179:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
179:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
179:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
179:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
179:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
179:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
179:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
179:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
179:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
179:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
179:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
179:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
179:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
179:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
179:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
179:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
179:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
179:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
179:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
179:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
179:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
179:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
179:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
179:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
179:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
179:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
179:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
179:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
179:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
179:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
179:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
179:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
179:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
179:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
179:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
183:     angle   ( -0.014,   0.005,  -0.081)  ( -0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( 20.000,  12.412, -17.160)  ( 20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.019,  -0.017,  -0.014)  (  0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,  -0.006,  -0.002)  (  0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.556,  14.019,  -3.165)  ( -3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       ( -8.357, -75.934,  23.900)  ( -8.353, -75.928,  23.905)  ( 0.04,  0.01,  0.02)
183:     bond    (-14.578, -43.264,   7.487)  (-14.577, -43.260,   7.491)  ( 0.01,  0.01,  0.04)
183:     angle   ( -0.013,   0.075,   0.026)  ( -0.012,   0.076,   0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -4.671, -27.652,   7.696)  ( -4.670, -27.651,   7.697)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.030,   0.017,   0.018)  (  0.030,   0.018,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.012,   0.004,   0.006)  (  0.011,   0.002,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.865,  -5.113,   8.667)  ( 10.865,  -5.113,   8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       (-23.913,  -8.357, -75.934)  (-23.905,  -8.353, -75.928)  ( 0.03,  0.04,  0.01)
183:     bond    ( -7.494, -14.578, -43.264)  ( -7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
183:     angle   ( -0.029,  -0.013,   0.075)  ( -0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -7.698,  -4.671, -27.652)  ( -7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.018,   0.030,   0.017)  ( -0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,   0.012,   0.004)  ( -0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.667,  10.865,  -5.113)  ( -8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       (-47.306, -52.215,  38.542)  (-47.297, -52.209,  38.549)  ( 0.02,  0.01,  0.02)
183:     bond    (-26.884, -35.755,  12.130)  (-26.880, -35.753,  12.133)  ( 0.01,  0.01,  0.03)
183:     angle   ( -0.081,   0.012,   0.005)  ( -0.079,   0.013,   0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  (-17.160, -20.001,  12.412)  (-17.159, -20.000,  12.413)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.014,  -0.020,  -0.017)  ( -0.014,  -0.019,  -0.017)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.002,  -0.006,  -0.006)  ( -0.001,  -0.005,  -0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.165,   3.556,  14.019)  ( -3.165,   3.556,  14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       ( 52.205,  38.542,  47.292)  ( 52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
183:     bond    ( 35.751,  12.130,  26.876)  ( 35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
183:     angle   ( -0.014,   0.005,   0.078)  ( -0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( 20.000,  12.412,  17.157)  ( 20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
183:     torsion (  0.019,  -0.017,   0.014)  (  0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,  -0.006,   0.002)  (  0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.556,  14.019,   3.164)  ( -3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       (-70.710, -37.613,  -0.007)  (-70.701, -37.611,  -0.000)  ( 0.01,  0.01,  0.00)
183:     bond    (-34.133, -31.161,  -0.003)  (-34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   ( -0.024,  -0.051,  -0.002)  ( -0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-24.743, -15.277,  -0.001)  (-24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.006,  -0.022,  -0.000)  (  0.006,  -0.021,  -0.000)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,  -0.010,  -0.000)  (  0.005,  -0.011,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (-11.821,   8.908,  -0.000)  (-11.821,   8.908,  -0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 29       ( 23.900,  -8.357, -75.934)  ( 23.905,  -8.353, -75.928)  ( 0.02,  0.04,  0.01)
183:     bond    (  7.487, -14.578, -43.264)  (  7.491, -14.577, -43.260)  ( 0.04,  0.01,  0.01)
183:     angle   (  0.026,  -0.013,   0.075)  (  0.028,  -0.012,   0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  7.696,  -4.671, -27.652)  (  7.697,  -4.670, -27.651)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.018,   0.030,   0.017)  (  0.018,   0.030,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,   0.012,   0.004)  (  0.005,   0.011,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.667,  10.865,  -5.113)  (  8.667,  10.865,  -5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       ( 70.694,  37.607,  -0.007)  ( 70.701,  37.611,   0.000)  ( 0.01,  0.01,  0.00)
183:     bond    ( 34.123,  31.159,  -0.003)  ( 34.128,  31.160,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   (  0.021,   0.050,  -0.002)  (  0.022,   0.051,  -0.000)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( 24.741,  15.275,  -0.001)  ( 24.742,  15.276,  -0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.007,   0.020,  -0.000)  ( -0.006,   0.021,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.005,   0.010,  -0.000)  ( -0.005,   0.011,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 11.821,  -8.908,  -0.000)  ( 11.821,  -8.908,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       ( 37.607,  -0.007, -70.710)  ( 37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
183:     bond    ( 31.159,  -0.003, -34.133)  ( 31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
183:     angle   (  0.050,  -0.002,  -0.024)  (  0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( 15.275,  -0.001, -24.743)  ( 15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.020,  -0.000,   0.006)  (  0.021,  -0.000,   0.006)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.010,  -0.000,   0.005)  (  0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.908,  -0.000, -11.821)  ( -8.908,   0.000, -11.821)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       ( -8.357,  75.919,  23.900)  ( -8.353,  75.928,  23.905)  ( 0.04,  0.01,  0.02)
183:     bond    (-14.578,  43.256,   7.487)  (-14.577,  43.260,   7.491)  ( 0.01,  0.01,  0.04)
183:     angle   ( -0.013,  -0.077,   0.026)  ( -0.012,  -0.076,   0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -4.671,  27.650,   7.696)  ( -4.670,  27.651,   7.697)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.030,  -0.018,   0.018)  (  0.030,  -0.018,   0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.012,  -0.004,   0.006)  (  0.011,  -0.002,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.865,   5.113,   8.667)  ( 10.865,   5.113,   8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       (-23.913,  -8.357,  75.919)  (-23.905,  -8.353,  75.928)  ( 0.03,  0.04,  0.01)
183:     bond    ( -7.494, -14.578,  43.256)  ( -7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
183:     angle   ( -0.029,  -0.013,  -0.077)  ( -0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -7.698,  -4.671,  27.650)  ( -7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.018,   0.030,  -0.018)  ( -0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,   0.012,  -0.004)  ( -0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -8.667,  10.865,   5.113)  ( -8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 34       ( 70.694, -37.613,  -0.007)  ( 70.701, -37.611,   0.000)  ( 0.01,  0.01,  0.00)
183:     bond    ( 34.123, -31.161,  -0.003)  ( 34.128, -31.160,   0.000)  ( 0.01,  0.00,  0.00)
183:     angle   (  0.021,  -0.051,  -0.002)  (  0.022,  -0.051,  -0.000)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( 24.741, -15.277,  -0.001)  ( 24.742, -15.276,  -0.000)  ( 0.00,  0.00,  0.00)
192/229 Test #195: test_math_2 ......................   Passed    6.24 sec
test 196
        Start 196: test_math_3

196: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "math" "3"
196: Environment variables: 
196:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
196:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
196: Test timeout computed to be: 1500
179:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
179:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
179:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
179:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
179:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
179:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
179:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
179:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
179:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
179:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
179:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
179:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
196: # math: repeating each test 1000 times
196: # Testing MMFF94 Force Field...
196: # math: entering testInversion
196: ok 1
196: ok 2
196: ok 3
196: ok 4
196: ok 5
196: ok 6
196: ok 7
196: ok 8
196: ok 9
196: ok 10
196: ok 11
196: ok 12
196: ok 13
196: ok 14
196: ok 15
196: ok 16
196: ok 17
196: ok 18
196: ok 19
196: ok 20
196: ok 21
196: ok 22
196: ok 23
196: ok 24
196: ok 25
196: ok 26
196: ok 27
196: ok 28
196: ok 29
196: ok 30
196: ok 31
196: ok 32
196: ok 33
196: ok 34
196: ok 35
196: ok 36
196: ok 37
196: ok 38
196: ok 39
196: ok 40
196: ok 41
196: ok 42
196: ok 43
196: ok 44
196: ok 45
196: ok 46
196: ok 47
196: ok 48
196: ok 49
196: ok 50
196: ok 51
196: ok 52
196: ok 53
196: ok 54
196: ok 55
196: ok 56
196: ok 57
196: ok 58
196: ok 59
196: ok 60
196: ok 61
196: ok 62
196: ok 63
196: ok 64
196: ok 65
196: ok 66
196: ok 67
196: ok 68
196: ok 69
196: ok 70
196: ok 71
196: ok 72
196: ok 73
196: ok 74
196: ok 75
196: ok 76
196: ok 77
196: ok 78
196: ok 79
196: ok 80
196: ok 81
196: ok 82
196: ok 83
196: ok 84
196: ok 85
196: ok 86
196: ok 87
196: ok 88
196: ok 89
196: ok 90
196: ok 91
196: ok 92
196: ok 93
196: ok 94
196: ok 95
196: ok 96
196: ok 97
196: ok 98
196: ok 99
196: ok 100
196: ok 101
196: ok 102
196: ok 103
196: ok 104
196: ok 105
196: ok 106
196: ok 107
196: ok 108
196: ok 109
196: ok 110
196: ok 111
196: ok 112
196: ok 113
196: ok 114
196: ok 115
196: ok 116
196: ok 117
196: ok 118
196: ok 119
196: ok 120
196: ok 121
196: ok 122
196: ok 123
196: ok 124
196: ok 125
196: ok 126
196: ok 127
196: ok 128
196: ok 129
196: ok 130
196: ok 131
196: ok 132
196: ok 133
196: ok 134
196: ok 135
196: ok 136
196: ok 137
196: ok 138
196: ok 139
196: ok 140
196: ok 141
196: ok 142
196: ok 143
196: ok 144
196: ok 145
196: ok 146
196: ok 147
196: ok 148
196: ok 149
196: ok 150
196: ok 151
196: ok 152
196: ok 153
196: ok 154
196: ok 155
196: ok 156
196: ok 157
196: ok 158
196: ok 159
196: ok 160
196: ok 161
196: ok 162
196: ok 163
196: ok 164
196: ok 165
196: ok 166
196: ok 167
196: ok 168
196: ok 169
196: ok 170
196: ok 171
196: ok 172
196: ok 173
196: ok 174
196: ok 175
196: ok 176
196: ok 177
196: ok 178
196: ok 179
196: ok 180
196: ok 181
196: ok 182
196: ok 183
196: ok 184
196: ok 185
196: ok 186
196: ok 187
196: ok 188
196: ok 189
196: ok 190
196: ok 191
196: ok 192
196: ok 193
196: ok 194
196: ok 195
196: ok 196
196: ok 197
196: ok 198
196: ok 199
196: ok 200
196: ok 201
196: ok 202
196: ok 203
196: ok 204
196: ok 205
196: ok 206
196: ok 207
196: ok 208
196: ok 209
196: ok 210
196: ok 211
196: ok 212
196: ok 213
196: ok 214
196: ok 215
196: ok 216
196: ok 217
196: ok 218
196: ok 219
196: ok 220
196: ok 221
196: ok 222
196: ok 223
196: ok 224
196: ok 225
196: ok 226
196: ok 227
196: ok 228
196: ok 229
196: ok 230
196: ok 231
196: ok 232
196: ok 233
196: ok 234
196: ok 235
196: ok 236
196: ok 237
196: ok 238
196: ok 239
196: ok 240
196: ok 241
196: ok 242
196: ok 243
196: ok 244
196: ok 245
196: ok 246
196: ok 247
196: ok 248
196: ok 249
196: ok 250
196: ok 251
196: ok 252
196: ok 253
196: ok 254
196: ok 255
196: ok 256
196: ok 257
196: ok 258
196: ok 259
196: ok 260
196: ok 261
196: ok 262
196: ok 263
196: ok 264
196: ok 265
196: ok 266
196: ok 267
196: ok 268
196: ok 269
196: ok 270
196: ok 271
196: ok 272
196: ok 273
196: ok 274
196: ok 275
196: ok 276
196: ok 277
196: ok 278
196: ok 279
196: ok 280
196: ok 281
196: ok 282
196: ok 283
196: ok 284
196: ok 285
196: ok 286
196: ok 287
196: ok 288
196: ok 289
196: ok 290
196: ok 291
196: ok 292
196: ok 293
196: ok 294
196: ok 295
196: ok 296
196: ok 297
196: ok 298
196: ok 299
196: ok 300
196: ok 301
196: ok 302
196: ok 303
196: ok 304
196: ok 305
196: ok 306
196: ok 307
196: ok 308
196: ok 309
196: ok 310
196: ok 311
196: ok 312
196: ok 313
196: ok 314
196: ok 315
196: ok 316
196: ok 317
196: ok 318
196: ok 319
196: ok 320
196: ok 321
196: ok 322
196: ok 323
196: ok 324
196: ok 325
196: ok 326
196: ok 327
196: ok 328
196: ok 329
196: ok 330
196: ok 331
196: ok 332
196: ok 333
196: ok 334
196: ok 335
196: ok 336
196: ok 337
196: ok 338
196: ok 339
196: ok 340
196: ok 341
196: ok 342
196: ok 343
196: ok 344
196: ok 345
196: ok 346
196: ok 347
196: ok 348
196: ok 349
196: ok 350
196: ok 351
196: ok 352
196: ok 353
196: ok 354
196: ok 355
196: ok 356
196: ok 357
196: ok 358
196: ok 359
196: ok 360
196: ok 361
196: ok 362
196: ok 363
196: ok 364
196: ok 365
196: ok 366
196: ok 367
196: ok 368
196: ok 369
196: ok 370
196: ok 371
196: ok 372
196: ok 373
196: ok 374
196: ok 375
196: ok 376
196: ok 377
196: ok 378
196: ok 379
196: ok 380
196: ok 381
196: ok 382
196: ok 383
196: ok 384
196: ok 385
196: ok 386
196: ok 387
196: ok 388
196: ok 389
196: ok 390
196: ok 391
196: ok 392
196: ok 393
196: ok 394
196: ok 395
196: ok 396
196: ok 397
196: ok 398
196: ok 399
196: ok 400
196: ok 401
196: ok 402
196: ok 403
196: ok 404
196: ok 405
196: ok 406
196: ok 407
196: ok 408
196: ok 409
196: ok 410
196: ok 411
196: ok 412
196: ok 413
196: ok 414
196: ok 415
196: ok 416
196: ok 417
196: ok 418
196: ok 419
196: ok 420
196: ok 421
196: ok 422
196: ok 423
196: ok 424
196: ok 425
196: ok 426
196: ok 427
196: ok 428
196: ok 429
196: ok 430
196: ok 431
196: ok 432
196: ok 433
196: ok 434
196: ok 435
196: ok 436
196: ok 437
196: ok 438
196: ok 439
196: ok 440
196: ok 441
196: ok 442
196: ok 443
196: ok 444
196: ok 445
196: ok 446
196: ok 447
196: ok 448
196: ok 449
196: ok 450
196: ok 451
196: ok 452
196: ok 453
196: ok 454
196: ok 455
196: ok 456
196: ok 457
196: ok 458
196: ok 459
196: ok 460
196: ok 461
196: ok 462
196: ok 463
196: ok 464
196: ok 465
196: ok 466
196: ok 467
196: ok 468
196: ok 469
196: ok 470
196: ok 471
196: ok 472
196: ok 473
196: ok 474
196: ok 475
196: ok 476
196: ok 477
196: ok 478
196: ok 479
196: ok 480
196: ok 481
196: ok 482
196: ok 483
196: ok 484
196: ok 485
196: ok 486
196: ok 487
196: ok 488
196: ok 489
196: ok 490
196: ok 491
196: ok 492
196: ok 493
196: ok 494
196: ok 495
196: ok 496
196: ok 497
196: ok 498
196: ok 499
196: ok 500
196: ok 501
196: ok 502
196: ok 503
196: ok 504
196: ok 505
196: ok 506
196: ok 507
196: ok 508
196: ok 509
196: ok 510
196: ok 511
196: ok 512
196: ok 513
196: ok 514
196: ok 515
196: ok 516
196: ok 517
196: ok 518
196: ok 519
196: ok 520
196: ok 521
196: ok 522
196: ok 523
196: ok 524
196: ok 525
196: ok 526
196: ok 527
196: ok 528
196: ok 529
196: ok 530
196: ok 531
196: ok 532
196: ok 533
196: ok 534
196: ok 535
196: ok 536
196: ok 537
196: ok 538
196: ok 539
196: ok 540
196: ok 541
196: ok 542
196: ok 543
196: ok 544
196: ok 545
196: ok 546
196: ok 547
196: ok 548
196: ok 549
196: ok 550
196: ok 551
196: ok 552
196: ok 553
196: ok 554
196: ok 555
196: ok 556
196: ok 557
196: ok 558
196: ok 559
196: ok 560
196: ok 561
196: ok 562
196: ok 563
196: ok 564
196: ok 565
196: ok 566
196: ok 567
196: ok 568
196: ok 569
196: ok 570
196: ok 571
196: ok 572
196: ok 573
196: ok 574
196: ok 575
196: ok 576
196: ok 577
196: ok 578
196: ok 579
196: ok 580
196: ok 581
196: ok 582
196: ok 583
196: ok 584
196: ok 585
196: ok 586
196: ok 587
196: ok 588
196: ok 589
196: ok 590
196: ok 591
196: ok 592
196: ok 593
196: ok 594
196: ok 595
196: ok 596
196: ok 597
196: ok 598
196: ok 599
196: ok 600
196: ok 601
196: ok 602
196: ok 603
196: ok 604
196: ok 605
196: ok 606
196: ok 607
196: ok 608
196: ok 609
196: ok 610
196: ok 611
196: ok 612
196: ok 613
196: ok 614
196: ok 615
196: ok 616
196: ok 617
196: ok 618
196: ok 619
196: ok 620
196: ok 621
196: ok 622
196: ok 623
196: ok 624
196: ok 625
196: ok 626
196: ok 627
196: ok 628
196: ok 629
196: ok 630
196: ok 631
196: ok 632
196: ok 633
196: ok 634
196: ok 635
196: ok 636
196: ok 637
196: ok 638
196: ok 639
196: ok 640
196: ok 641
196: ok 642
196: ok 643
196: ok 644
196: ok 645
196: ok 646
196: ok 647
196: ok 648
196: ok 649
196: ok 650
196: ok 651
196: ok 652
196: ok 653
196: ok 654
196: ok 655
196: ok 656
196: ok 657
196: ok 658
196: ok 659
196: ok 660
196: ok 661
196: ok 662
196: ok 663
196: ok 664
196: ok 665
196: ok 666
196: ok 667
196: ok 668
196: ok 669
196: ok 670
196: ok 671
196: ok 672
196: ok 673
196: ok 674
196: ok 675
196: ok 676
196: ok 677
196: ok 678
196: ok 679
196: ok 680
196: ok 681
196: ok 682
196: ok 683
196: ok 684
196: ok 685
196: ok 686
196: ok 687
196: ok 688
196: ok 689
196: ok 690
196: ok 691
196: ok 692
196: ok 693
196: ok 694
196: ok 695
196: ok 696
196: ok 697
196: ok 698
196: ok 699
196: ok 700
196: ok 701
196: ok 702
196: ok 703
196: ok 704
196: ok 705
196: ok 706
196: ok 707
196: ok 708
196: ok 709
196: ok 710
196: ok 711
196: ok 712
196: ok 713
196: ok 714
196: ok 715
196: ok 716
196: ok 717
196: ok 718
196: ok 719
196: ok 720
196: ok 721
196: ok 722
196: ok 723
196: ok 724
196: ok 725
196: ok 726
196: ok 727
196: ok 728
196: ok 729
196: ok 730
196: ok 731
196: ok 732
196: ok 733
196: ok 734
196: ok 735
196: ok 736
196: ok 737
196: ok 738
196: ok 739
196: ok 740
196: ok 741
196: ok 742
196: ok 743
196: ok 744
196: ok 745
196: ok 746
196: ok 747
196: ok 748
196: ok 749
196: ok 750
196: ok 751
196: ok 752
196: ok 753
196: ok 754
196: ok 755
196: ok 756
196: ok 757
196: ok 758
196: ok 759
196: ok 760
196: ok 761
196: ok 762
196: ok 763
196: ok 764
196: ok 765
196: ok 766
196: ok 767
196: ok 768
196: ok 769
196: ok 770
196: ok 771
196: ok 772
196: ok 773
196: ok 774
196: ok 775
196: ok 776
196: ok 777
196: ok 778
196: ok 779
196: ok 780
196: ok 781
196: ok 782
196: ok 783
196: ok 784
196: ok 785
196: ok 786
196: ok 787
196: ok 788
196: ok 789
196: ok 790
196: ok 791
196: ok 792
196: ok 793
196: ok 794
196: ok 795
196: ok 796
196: ok 797
196: ok 798
196: ok 799
196: ok 800
196: ok 801
196: ok 802
196: ok 803
196: ok 804
196: ok 805
196: ok 806
196: ok 807
196: ok 808
196: ok 809
196: ok 810
196: ok 811
196: ok 812
196: ok 813
196: ok 814
196: ok 815
196: ok 816
196: ok 817
196: ok 818
196: ok 819
196: ok 820
196: ok 821
196: ok 822
196: ok 823
196: ok 824
196: ok 825
196: ok 826
196: ok 827
196: ok 828
196: ok 829
196: ok 830
196: ok 831
196: ok 832
196: ok 833
196: ok 834
196: ok 835
196: ok 836
196: ok 837
196: ok 838
196: ok 839
196: ok 840
196: ok 841
196: ok 842
196: ok 843
196: ok 844
196: ok 845
196: ok 846
196: ok 847
196: ok 848
196: ok 849
196: ok 850
196: ok 851
196: ok 852
196: ok 853
196: ok 854
196: ok 855
196: ok 856
196: ok 857
196: ok 858
196: ok 859
196: ok 860
196: ok 861
196: ok 862
196: ok 863
196: ok 864
196: ok 865
196: ok 866
196: ok 867
196: ok 868
196: ok 869
196: ok 870
196: ok 871
196: ok 872
196: ok 873
196: ok 874
196: ok 875
196: ok 876
196: ok 877
196: ok 878
196: ok 879
196: ok 880
196: ok 881
196: ok 882
196: ok 883
196: ok 884
196: ok 885
196: ok 886
196: ok 887
196: ok 888
196: ok 889
196: ok 890
196: ok 891
196: ok 892
196: ok 893
196: ok 894
196: ok 895
196: ok 896
196: ok 897
196: ok 898
196: ok 899
196: ok 900
196: ok 901
196: ok 902
196: ok 903
196: ok 904
196: ok 905
196: ok 906
196: ok 907
196: ok 908
196: ok 909
196: ok 910
196: ok 911
196: ok 912
196: ok 913
196: ok 914
196: ok 915
196: ok 916
196: ok 917
196: ok 918
196: ok 919
196: ok 920
196: ok 921
196: ok 922
196: ok 923
196: ok 924
196: ok 925
196: ok 926
196: ok 927
196: ok 928
196: ok 929
196: ok 930
196: ok 931
196: ok 932
196: ok 933
196: ok 934
196: ok 935
196: ok 936
196: ok 937
196: ok 938
196: ok 939
196: ok 940
196: ok 941
196: ok 942
196: ok 943
196: ok 944
196: ok 945
196: ok 946
196: ok 947
196: ok 948
196: ok 949
196: ok 950
196: ok 951
196: ok 952
196: ok 953
196: ok 954
196: ok 955
196: ok 956
196: ok 957
196: ok 958
196: ok 959
196: ok 960
196: ok 961
196: ok 962
196: ok 963
196: ok 964
196: ok 965
196: ok 966
196: ok 967
196: ok 968
196: ok 969
196: ok 970
196: ok 971
196: ok 972
196: ok 973
196: ok 974
196: ok 975
196: ok 976
196: ok 977
196: ok 978
196: ok 979
196: ok 980
196: ok 981
196: ok 982
196: ok 983
196: ok 984
196: ok 985
196: ok 986
196: ok 987
196: ok 988
196: ok 989
196: ok 990
196: ok 991
196: ok 992
196: ok 993
196: ok 994
196: ok 995
196: ok 996
196: ok 997
196: ok 998
196: ok 999
196: ok 1000
196: # math: passed testInversion
196: 1..1000
196: # math: all tests are successful
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
181:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
181:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
181:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
181:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
181:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
181:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
181:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
181:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
181:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
181:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
181:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
181:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
181:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
181:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
181:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
181:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
181:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
193/229 Test #196: test_math_3 ......................   Passed    0.52 sec
test 197
        Start 197: test_math_4

197: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "math" "4"
197: Environment variables: 
197:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
197:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
197: Test timeout computed to be: 1500
183:     torsion ( -0.007,  -0.022,  -0.000)  ( -0.006,  -0.021,   0.000)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.005,  -0.010,  -0.000)  ( -0.005,  -0.011,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 11.821,   8.908,  -0.000)  ( 11.821,   8.908,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 35       (-52.215,  38.542, -47.306)  (-52.209,  38.549, -47.297)  ( 0.01,  0.02,  0.02)
183:     bond    (-35.755,  12.130, -26.884)  (-35.753,  12.133, -26.880)  ( 0.01,  0.03,  0.01)
183:     angle   (  0.012,   0.005,  -0.081)  (  0.013,   0.006,  -0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  (-20.001,  12.412, -17.160)  (-20.000,  12.413, -17.159)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.020,  -0.017,  -0.014)  ( -0.019,  -0.017,  -0.014)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,  -0.006,  -0.002)  ( -0.005,  -0.004,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.556,  14.019,  -3.165)  (  3.556,  14.019,  -3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 36       (-52.215,  38.542,  47.292)  (-52.209,  38.549,  47.297)  ( 0.01,  0.02,  0.01)
183:     bond    (-35.755,  12.130,  26.876)  (-35.753,  12.133,  26.880)  ( 0.01,  0.03,  0.01)
183:     angle   (  0.012,   0.005,   0.078)  (  0.013,   0.006,   0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  (-20.001,  12.412,  17.157)  (-20.000,  12.413,  17.159)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.020,  -0.017,   0.014)  ( -0.019,  -0.017,   0.014)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,  -0.006,   0.002)  ( -0.005,  -0.004,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.556,  14.019,   3.164)  (  3.556,  14.019,   3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 37       (-37.613,  -0.007,  70.694)  (-37.611,   0.000,  70.701)  ( 0.01,  0.00,  0.01)
183:     bond    (-31.161,  -0.003,  34.123)  (-31.160,   0.000,  34.128)  ( 0.00,  0.00,  0.01)
183:     angle   ( -0.051,  -0.002,   0.021)  ( -0.051,  -0.000,   0.022)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-15.277,  -0.001,  24.741)  (-15.276,   0.000,  24.742)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.022,  -0.000,  -0.007)  ( -0.021,   0.000,  -0.006)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.010,  -0.000,  -0.005)  ( -0.011,   0.000,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.908,  -0.000,  11.821)  (  8.908,   0.000,  11.821)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 38       (-52.215, -38.554, -47.306)  (-52.209, -38.549, -47.297)  ( 0.01,  0.01,  0.02)
183:     bond    (-35.755, -12.136, -26.884)  (-35.753, -12.133, -26.880)  ( 0.01,  0.03,  0.01)
183:     angle   (  0.012,  -0.007,  -0.081)  (  0.013,  -0.006,  -0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  (-20.001, -12.414, -17.160)  (-20.000, -12.413, -17.159)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.020,   0.017,  -0.014)  ( -0.019,   0.017,  -0.014)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,   0.005,  -0.002)  ( -0.005,   0.004,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.556, -14.019,  -3.165)  (  3.556, -14.019,  -3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 39       (-52.215, -38.554,  47.292)  (-52.209, -38.549,  47.297)  ( 0.01,  0.01,  0.01)
183:     bond    (-35.755, -12.136,  26.876)  (-35.753, -12.133,  26.880)  ( 0.01,  0.03,  0.01)
183:     angle   (  0.012,  -0.007,   0.078)  (  0.013,  -0.006,   0.079)  ( 0.00,  0.00,  0.01)
183:     strbnd  (-20.001, -12.414,  17.157)  (-20.000, -12.413,  17.159)  ( 0.00,  0.01,  0.01)
183:     torsion ( -0.020,   0.017,   0.014)  ( -0.019,   0.017,   0.014)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.006,   0.005,   0.002)  ( -0.005,   0.004,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.556, -14.019,   3.164)  (  3.556, -14.019,   3.165)  ( 0.00,  0.00,  0.01)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
197: # math: repeating each test 1000 times
197: # Testing MMFF94 Force Field...
197: # math: entering testEigenvalues
197: ok 1
197: ok 2
197: ok 3
197: ok 4
197: ok 5
197: ok 6
197: ok 7
197: ok 8
197: ok 9
197: ok 10
197: ok 11
197: ok 12
197: ok 13
197: ok 14
197: ok 15
197: ok 16
197: ok 17
197: ok 18
197: ok 19
197: ok 20
197: ok 21
197: ok 22
197: ok 23
197: ok 24
197: ok 25
197: ok 26
197: ok 27
197: ok 28
197: ok 29
197: ok 30
197: ok 31
197: ok 32
197: ok 33
197: ok 34
197: ok 35
197: ok 36
197: ok 37
197: ok 38
197: ok 39
197: ok 40
197: ok 41
197: ok 42
197: ok 43
197: ok 44
197: ok 45
197: ok 46
197: ok 47
197: ok 48
197: ok 49
197: ok 50
197: ok 51
197: ok 52
197: ok 53
197: ok 54
197: ok 55
197: ok 56
197: ok 57
197: ok 58
197: ok 59
197: ok 60
197: ok 61
197: ok 62
197: ok 63
197: ok 64
197: ok 65
197: ok 66
197: ok 67
197: ok 68
197: ok 69
197: ok 70
197: ok 71
197: ok 72
197: ok 73
197: ok 74
197: ok 75
197: ok 76
197: ok 77
197: ok 78
197: ok 79
197: ok 80
197: ok 81
197: ok 82
197: ok 83
197: ok 84
197: ok 85
197: ok 86
197: ok 87
197: ok 88
197: ok 89
197: ok 90
197: ok 91
197: ok 92
197: ok 93
197: ok 94
197: ok 95
197: ok 96
197: ok 97
197: ok 98
197: ok 99
197: ok 100
197: ok 101
197: ok 102
197: ok 103
197: ok 104
197: ok 105
197: ok 106
197: ok 107
197: ok 108
197: ok 109
197: ok 110
197: ok 111
197: ok 112
197: ok 113
197: ok 114
197: ok 115
197: ok 116
197: ok 117
197: ok 118
197: ok 119
197: ok 120
197: ok 121
197: ok 122
197: ok 123
197: ok 124
197: ok 125
197: ok 126
197: ok 127
197: ok 128
197: ok 129
197: ok 130
197: ok 131
197: ok 132
197: ok 133
197: ok 134
197: ok 135
197: ok 136
197: ok 137
197: ok 138
197: ok 139
197: ok 140
197: ok 141
197: ok 142
197: ok 143
197: ok 144
197: ok 145
197: ok 146
197: ok 147
197: ok 148
197: ok 149
197: ok 150
197: ok 151
197: ok 152
197: ok 153
197: ok 154
197: ok 155
197: ok 156
197: ok 157
197: ok 158
197: ok 159
197: ok 160
197: ok 161
197: ok 162
197: ok 163
197: ok 164
197: ok 165
197: ok 166
197: ok 167
197: ok 168
197: ok 169
197: ok 170
197: ok 171
197: ok 172
197: ok 173
197: ok 174
197: ok 175
197: ok 176
197: ok 177
197: ok 178
197: ok 179
197: ok 180
197: ok 181
197: ok 182
197: ok 183
197: ok 184
197: ok 185
197: ok 186
197: ok 187
197: ok 188
197: ok 189
197: ok 190
197: ok 191
197: ok 192
197: ok 193
197: ok 194
197: ok 195
197: ok 196
197: ok 197
197: ok 198
197: ok 199
197: ok 200
197: ok 201
197: ok 202
197: ok 203
197: ok 204
197: ok 205
197: ok 206
197: ok 207
197: ok 208
197: ok 209
197: ok 210
197: ok 211
197: ok 212
197: ok 213
197: ok 214
197: ok 215
197: ok 216
197: ok 217
197: ok 218
197: ok 219
197: ok 220
197: ok 221
197: ok 222
197: ok 223
197: ok 224
197: ok 225
197: ok 226
197: ok 227
197: ok 228
197: ok 229
197: ok 230
197: ok 231
197: ok 232
197: ok 233
197: ok 234
197: ok 235
197: ok 236
197: ok 237
197: ok 238
197: ok 239
197: ok 240
197: ok 241
197: ok 242
197: ok 243
197: ok 244
197: ok 245
197: ok 246
197: ok 247
197: ok 248
197: ok 249
197: ok 250
197: ok 251
197: ok 252
197: ok 253
197: ok 254
197: ok 255
197: ok 256
197: ok 257
197: ok 258
197: ok 259
197: ok 260
197: ok 261
197: ok 262
197: ok 263
197: ok 264
197: ok 265
197: ok 266
197: ok 267
197: ok 268
197: ok 269
197: ok 270
197: ok 271
197: ok 272
197: ok 273
197: ok 274
197: ok 275
197: ok 276
197: ok 277
197: ok 278
197: ok 279
197: ok 280
197: ok 281
197: ok 282
197: ok 283
197: ok 284
197: ok 285
197: ok 286
197: ok 287
197: ok 288
197: ok 289
197: ok 290
197: ok 291
197: ok 292
197: ok 293
197: ok 294
197: ok 295
197: ok 296
197: ok 297
197: ok 298
197: ok 299
197: ok 300
197: ok 301
197: ok 302
197: ok 303
197: ok 304
197: ok 305
197: ok 306
197: ok 307
197: ok 308
197: ok 309
197: ok 310
197: ok 311
197: ok 312
197: ok 313
197: ok 314
197: ok 315
197: ok 316
197: ok 317
197: ok 318
197: ok 319
197: ok 320
197: ok 321
197: ok 322
197: ok 323
197: ok 324
197: ok 325
197: ok 326
197: ok 327
197: ok 328
197: ok 329
197: ok 330
197: ok 331
197: ok 332
197: ok 333
197: ok 334
197: ok 335
197: ok 336
197: ok 337
197: ok 338
197: ok 339
197: ok 340
197: ok 341
197: ok 342
197: ok 343
197: ok 344
197: ok 345
197: ok 346
197: ok 347
197: ok 348
197: ok 349
197: ok 350
197: ok 351
197: ok 352
197: ok 353
197: ok 354
197: ok 355
197: ok 356
197: ok 357
197: ok 358
197: ok 359
197: ok 360
197: ok 361
197: ok 362
197: ok 363
197: ok 364
197: ok 365
197: ok 366
197: ok 367
197: ok 368
197: ok 369
197: ok 370
197: ok 371
197: ok 372
197: ok 373
197: ok 374
197: ok 375
197: ok 376
197: ok 377
197: ok 378
197: ok 379
197: ok 380
197: ok 381
197: ok 382
197: ok 383
197: ok 384
197: ok 385
197: ok 386
197: ok 387
197: ok 388
197: ok 389
197: ok 390
197: ok 391
197: ok 392
197: ok 393
197: ok 394
197: ok 395
197: ok 396
197: ok 397
197: ok 398
197: ok 399
197: ok 400
197: ok 401
197: ok 402
197: ok 403
197: ok 404
197: ok 405
197: ok 406
197: ok 407
197: ok 408
197: ok 409
197: ok 410
197: ok 411
197: ok 412
197: ok 413
197: ok 414
197: ok 415
197: ok 416
197: ok 417
197: ok 418
197: ok 419
197: ok 420
197: ok 421
197: ok 422
197: ok 423
197: ok 424
197: ok 425
197: ok 426
197: ok 427
197: ok 428
197: ok 429
197: ok 430
197: ok 431
197: ok 432
197: ok 433
197: ok 434
197: ok 435
197: ok 436
197: ok 437
197: ok 438
197: ok 439
197: ok 440
197: ok 441
197: ok 442
197: ok 443
197: ok 444
197: ok 445
197: ok 446
197: ok 447
197: ok 448
197: ok 449
197: ok 450
197: ok 451
197: ok 452
197: ok 453
197: ok 454
197: ok 455
197: ok 456
197: ok 457
197: ok 458
197: ok 459
197: ok 460
197: ok 461
197: ok 462
197: ok 463
197: ok 464
197: ok 465
197: ok 466
197: ok 467
197: ok 468
197: ok 469
197: ok 470
197: ok 471
197: ok 472
197: ok 473
197: ok 474
197: ok 475
197: ok 476
197: ok 477
197: ok 478
197: ok 479
197: ok 480
197: ok 481
197: ok 482
197: ok 483
197: ok 484
197: ok 485
197: ok 486
197: ok 487
197: ok 488
197: ok 489
197: ok 490
197: ok 491
197: ok 492
197: ok 493
197: ok 494
197: ok 495
197: ok 496
197: ok 497
197: ok 498
197: ok 499
197: ok 500
197: ok 501
197: ok 502
197: ok 503
197: ok 504
197: ok 505
197: ok 506
197: ok 507
197: ok 508
197: ok 509
197: ok 510
197: ok 511
197: ok 512
197: ok 513
197: ok 514
197: ok 515
197: ok 516
197: ok 517
197: ok 518
197: ok 519
197: ok 520
197: ok 521
197: ok 522
197: ok 523
197: ok 524
197: ok 525
197: ok 526
197: ok 527
197: ok 528
197: ok 529
197: ok 530
197: ok 531
197: ok 532
197: ok 533
197: ok 534
197: ok 535
197: ok 536
197: ok 537
197: ok 538
197: ok 539
197: ok 540
197: ok 541
197: ok 542
197: ok 543
197: ok 544
197: ok 545
197: ok 546
197: ok 547
197: ok 548
197: ok 549
197: ok 550
197: ok 551
197: ok 552
197: ok 553
197: ok 554
197: ok 555
197: ok 556
197: ok 557
197: ok 558
197: ok 559
197: ok 560
197: ok 561
197: ok 562
197: ok 563
197: ok 564
197: ok 565
197: ok 566
197: ok 567
197: ok 568
197: ok 569
197: ok 570
197: ok 571
197: ok 572
197: ok 573
197: ok 574
197: ok 575
197: ok 576
197: ok 577
197: ok 578
197: ok 579
197: ok 580
197: ok 581
197: ok 582
197: ok 583
197: ok 584
197: ok 585
197: ok 586
197: ok 587
197: ok 588
197: ok 589
197: ok 590
197: ok 591
197: ok 592
197: ok 593
197: ok 594
197: ok 595
197: ok 596
197: ok 597
197: ok 598
197: ok 599
197: ok 600
197: ok 601
197: ok 602
197: ok 603
197: ok 604
197: ok 605
197: ok 606
197: ok 607
197: ok 608
197: ok 609
197: ok 610
197: ok 611
197: ok 612
197: ok 613
197: ok 614
197: ok 615
197: ok 616
197: ok 617
197: ok 618
197: ok 619
197: ok 620
197: ok 621
197: ok 622
197: ok 623
197: ok 624
197: ok 625
197: ok 626
197: ok 627
197: ok 628
197: ok 629
197: ok 630
197: ok 631
197: ok 632
197: ok 633
197: ok 634
197: ok 635
197: ok 636
197: ok 637
197: ok 638
197: ok 639
197: ok 640
197: ok 641
197: ok 642
197: ok 643
197: ok 644
197: ok 645
197: ok 646
197: ok 647
197: ok 648
197: ok 649
197: ok 650
197: ok 651
197: ok 652
197: ok 653
197: ok 654
197: ok 655
197: ok 656
197: ok 657
197: ok 658
197: ok 659
197: ok 660
197: ok 661
197: ok 662
197: ok 663
197: ok 664
197: ok 665
197: ok 666
197: ok 667
197: ok 668
197: ok 669
197: ok 670
197: ok 671
197: ok 672
197: ok 673
197: ok 674
197: ok 675
197: ok 676
197: ok 677
197: ok 678
197: ok 679
197: ok 680
197: ok 681
197: ok 682
197: ok 683
197: ok 684
197: ok 685
197: ok 686
197: ok 687
197: ok 688
197: ok 689
197: ok 690
197: ok 691
197: ok 692
197: ok 693
197: ok 694
197: ok 695
197: ok 696
197: ok 697
197: ok 698
197: ok 699
197: ok 700
197: ok 701
197: ok 702
197: ok 703
197: ok 704
197: ok 705
197: ok 706
197: ok 707
197: ok 708
197: ok 709
197: ok 710
197: ok 711
197: ok 712
197: ok 713
197: ok 714
197: ok 715
197: ok 716
197: ok 717
197: ok 718
197: ok 719
197: ok 720
197: ok 721
197: ok 722
197: ok 723
197: ok 724
197: ok 725
197: ok 726
197: ok 727
197: ok 728
197: ok 729
197: ok 730
197: ok 731
197: ok 732
197: ok 733
197: ok 734
197: ok 735
197: ok 736
197: ok 737
197: ok 738
197: ok 739
197: ok 740
197: ok 741
197: ok 742
197: ok 743
197: ok 744
197: ok 745
197: ok 746
197: ok 747
197: ok 748
197: ok 749
197: ok 750
197: ok 751
197: ok 752
197: ok 753
197: ok 754
197: ok 755
197: ok 756
197: ok 757
197: ok 758
197: ok 759
197: ok 760
197: ok 761
197: ok 762
197: ok 763
197: ok 764
197: ok 765
197: ok 766
197: ok 767
197: ok 768
197: ok 769
197: ok 770
197: ok 771
197: ok 772
197: ok 773
197: ok 774
197: ok 775
197: ok 776
197: ok 777
197: ok 778
197: ok 779
197: ok 780
197: ok 781
197: ok 782
197: ok 783
197: ok 784
197: ok 785
197: ok 786
197: ok 787
197: ok 788
197: ok 789
197: ok 790
197: ok 791
197: ok 792
197: ok 793
197: ok 794
197: ok 795
197: ok 796
197: ok 797
197: ok 798
197: ok 799
197: ok 800
197: ok 801
197: ok 802
197: ok 803
197: ok 804
197: ok 805
197: ok 806
197: ok 807
197: ok 808
197: ok 809
197: ok 810
197: ok 811
197: ok 812
197: ok 813
197: ok 814
197: ok 815
197: ok 816
197: ok 817
197: ok 818
197: ok 819
197: ok 820
197: ok 821
197: ok 822
197: ok 823
197: ok 824
197: ok 825
197: ok 826
197: ok 827
197: ok 828
197: ok 829
197: ok 830
197: ok 831
197: ok 832
197: ok 833
197: ok 834
197: ok 835
197: ok 836
197: ok 837
197: ok 838
197: ok 839
197: ok 840
197: ok 841
197: ok 842
197: ok 843
197: ok 844
197: ok 845
197: ok 846
197: ok 847
197: ok 848
197: ok 849
197: ok 850
197: ok 851
197: ok 852
197: ok 853
197: ok 854
197: ok 855
197: ok 856
197: ok 857
197: ok 858
197: ok 859
197: ok 860
197: ok 861
197: ok 862
197: ok 863
197: ok 864
197: ok 865
197: ok 866
197: ok 867
197: ok 868
197: ok 869
197: ok 870
197: ok 871
197: ok 872
197: ok 873
197: ok 874
197: ok 875
197: ok 876
197: ok 877
197: ok 878
197: ok 879
197: ok 880
197: ok 881
197: ok 882
197: ok 883
197: ok 884
197: ok 885
197: ok 886
197: ok 887
197: ok 888
197: ok 889
197: ok 890
197: ok 891
197: ok 892
197: ok 893
197: ok 894
197: ok 895
197: ok 896
197: ok 897
197: ok 898
197: ok 899
197: ok 900
197: ok 901
197: ok 902
197: ok 903
197: ok 904
197: ok 905
197: ok 906
197: ok 907
197: ok 908
197: ok 909
197: ok 910
197: ok 911
197: ok 912
197: ok 913
197: ok 914
197: ok 915
197: ok 916
197: ok 917
197: ok 918
197: ok 919
197: ok 920
197: ok 921
197: ok 922
197: ok 923
197: ok 924
197: ok 925
197: ok 926
197: ok 927
197: ok 928
197: ok 929
197: ok 930
197: ok 931
197: ok 932
197: ok 933
197: ok 934
197: ok 935
197: ok 936
197: ok 937
197: ok 938
197: ok 939
197: ok 940
197: ok 941
197: ok 942
197: ok 943
197: ok 944
197: ok 945
197: ok 946
197: ok 947
197: ok 948
197: ok 949
197: ok 950
197: ok 951
197: ok 952
197: ok 953
197: ok 954
197: ok 955
197: ok 956
197: ok 957
197: ok 958
197: ok 959
197: ok 960
197: ok 961
197: ok 962
197: ok 963
197: ok 964
197: ok 965
197: ok 966
197: ok 967
197: ok 968
197: ok 969
197: ok 970
197: ok 971
197: ok 972
197: ok 973
197: ok 974
197: ok 975
197: ok 976
197: ok 977
197: ok 978
197: ok 979
197: ok 980
197: ok 981
197: ok 982
197: ok 983
197: ok 984
197: ok 985
197: ok 986
197: ok 987
197: ok 988
197: ok 989
197: ok 990
197: ok 991
197: ok 992
197: ok 993
197: ok 994
197: ok 995
197: ok 996
197: ok 997
197: ok 998
197: ok 999
197: ok 1000
197: ok 1001
197: ok 1002
197: ok 1003
197: ok 1004
197: ok 1005
197: ok 1006
197: ok 1007
197: ok 1008
197: ok 1009
197: ok 1010
197: ok 1011
197: ok 1012
197: ok 1013
197: ok 1014
197: ok 1015
197: ok 1016
197: ok 1017
197: ok 1018
197: ok 1019
197: ok 1020
197: ok 1021
197: ok 1022
197: ok 1023
197: ok 1024
197: ok 1025
197: ok 1026
197: ok 1027
197: ok 1028
197: ok 1029
197: ok 1030
197: ok 1031
197: ok 1032
197: ok 1033
197: ok 1034
197: ok 1035
197: ok 1036
197: ok 1037
197: ok 1038
197: ok 1039
197: ok 1040
197: ok 1041
197: ok 1042
197: ok 1043
197: ok 1044
197: ok 1045
197: ok 1046
197: ok 1047
197: ok 1048
197: ok 1049
197: ok 1050
197: ok 1051
197: ok 1052
197: ok 1053
197: ok 1054
197: ok 1055
197: ok 1056
197: ok 1057
197: ok 1058
197: ok 1059
197: ok 1060
197: ok 1061
197: ok 1062
197: ok 1063
197: ok 1064
197: ok 1065
197: ok 1066
197: ok 1067
197: ok 1068
197: ok 1069
197: ok 1070
197: ok 1071
197: ok 1072
197: ok 1073
197: ok 1074
197: ok 1075
197: ok 1076
197: ok 1077
197: ok 1078
197: ok 1079
197: ok 1080
197: ok 1081
197: ok 1082
197: ok 1083
197: ok 1084
197: ok 1085
197: ok 1086
197: ok 1087
197: ok 1088
197: ok 1089
197: ok 1090
197: ok 1091
197: ok 1092
197: ok 1093
197: ok 1094
197: ok 1095
197: ok 1096
197: ok 1097
197: ok 1098
197: ok 1099
197: ok 1100
197: ok 1101
197: ok 1102
197: ok 1103
197: ok 1104
197: ok 1105
197: ok 1106
197: ok 1107
197: ok 1108
197: ok 1109
197: ok 1110
197: ok 1111
197: ok 1112
197: ok 1113
197: ok 1114
197: ok 1115
197: ok 1116
197: ok 1117
197: ok 1118
197: ok 1119
197: ok 1120
197: ok 1121
197: ok 1122
197: ok 1123
197: ok 1124
197: ok 1125
197: ok 1126
197: ok 1127
197: ok 1128
197: ok 1129
197: ok 1130
197: ok 1131
197: ok 1132
197: ok 1133
197: ok 1134
197: ok 1135
197: ok 1136
197: ok 1137
197: ok 1138
197: ok 1139
197: ok 1140
197: ok 1141
197: ok 1142
197: ok 1143
197: ok 1144
197: ok 1145
197: ok 1146
197: ok 1147
197: ok 1148
197: ok 1149
197: ok 1150
197: ok 1151
197: ok 1152
197: ok 1153
197: ok 1154
197: ok 1155
197: ok 1156
197: ok 1157
197: ok 1158
197: ok 1159
197: ok 1160
197: ok 1161
197: ok 1162
197: ok 1163
197: ok 1164
197: ok 1165
197: ok 1166
197: ok 1167
197: ok 1168
197: ok 1169
197: ok 1170
197: ok 1171
197: ok 1172
197: ok 1173
197: ok 1174
197: ok 1175
197: ok 1176
197: ok 1177
197: ok 1178
197: ok 1179
197: ok 1180
197: ok 1181
197: ok 1182
197: ok 1183
197: ok 1184
197: ok 1185
197: ok 1186
197: ok 1187
197: ok 1188
197: ok 1189
197: ok 1190
197: ok 1191
197: ok 1192
197: ok 1193
197: ok 1194
197: ok 1195
197: ok 1196
197: ok 1197
197: ok 1198
197: ok 1199
197: ok 1200
197: ok 1201
197: ok 1202
197: ok 1203
197: ok 1204
197: ok 1205
197: ok 1206
197: ok 1207
197: ok 1208
197: ok 1209
197: ok 1210
197: ok 1211
197: ok 1212
197: ok 1213
197: ok 1214
197: ok 1215
197: ok 1216
197: ok 1217
197: ok 1218
197: ok 1219
197: ok 1220
197: ok 1221
197: ok 1222
197: ok 1223
197: ok 1224
197: ok 1225
197: ok 1226
197: ok 1227
197: ok 1228
197: ok 1229
197: ok 1230
197: ok 1231
197: ok 1232
197: ok 1233
197: ok 1234
197: ok 1235
197: ok 1236
197: ok 1237
197: ok 1238
197: ok 1239
197: ok 1240
197: ok 1241
197: ok 1242
197: ok 1243
197: ok 1244
197: ok 1245
197: ok 1246
197: ok 1247
197: ok 1248
197: ok 1249
197: ok 1250
197: ok 1251
197: ok 1252
197: ok 1253
197: ok 1254
197: ok 1255
197: ok 1256
197: ok 1257
197: ok 1258
197: ok 1259
197: ok 1260
197: ok 1261
197: ok 1262
197: ok 1263
197: ok 1264
197: ok 1265
197: ok 1266
197: ok 1267
197: ok 1268
197: ok 1269
197: ok 1270
197: ok 1271
197: ok 1272
197: ok 1273
197: ok 1274
197: ok 1275
197: ok 1276
197: ok 1277
197: ok 1278
197: ok 1279
197: ok 1280
197: ok 1281
197: ok 1282
197: ok 1283
197: ok 1284
197: ok 1285
197: ok 1286
197: ok 1287
197: ok 1288
197: ok 1289
197: ok 1290
197: ok 1291
197: ok 1292
197: ok 1293
197: ok 1294
197: ok 1295
197: ok 1296
197: ok 1297
197: ok 1298
197: ok 1299
197: ok 1300
197: ok 1301
197: ok 1302
197: ok 1303
197: ok 1304
197: ok 1305
197: ok 1306
197: ok 1307
197: ok 1308
197: ok 1309
197: ok 1310
197: ok 1311
197: ok 1312
197: ok 1313
197: ok 1314
197: ok 1315
197: ok 1316
197: ok 1317
197: ok 1318
197: ok 1319
197: ok 1320
197: ok 1321
197: ok 1322
197: ok 1323
197: ok 1324
197: ok 1325
197: ok 1326
197: ok 1327
197: ok 1328
197: ok 1329
197: ok 1330
197: ok 1331
197: ok 1332
197: ok 1333
197: ok 1334
197: ok 1335
197: ok 1336
197: ok 1337
197: ok 1338
197: ok 1339
197: ok 1340
197: ok 1341
197: ok 1342
197: ok 1343
197: ok 1344
197: ok 1345
197: ok 1346
197: ok 1347
197: ok 1348
197: ok 1349
197: ok 1350
197: ok 1351
197: ok 1352
197: ok 1353
197: ok 1354
197: ok 1355
197: ok 1356
197: ok 1357
197: ok 1358
197: ok 1359
197: ok 1360
197: ok 1361
197: ok 1362
197: ok 1363
197: ok 1364
197: ok 1365
197: ok 1366
197: ok 1367
197: ok 1368
197: ok 1369
197: ok 1370
197: ok 1371
197: ok 1372
197: ok 1373
197: ok 1374
197: ok 1375
197: ok 1376
197: ok 1377
197: ok 1378
197: ok 1379
197: ok 1380
197: ok 1381
197: ok 1382
197: ok 1383
197: ok 1384
197: ok 1385
197: ok 1386
197: ok 1387
197: ok 1388
197: ok 1389
197: ok 1390
197: ok 1391
197: ok 1392
197: ok 1393
197: ok 1394
197: ok 1395
197: ok 1396
197: ok 1397
197: ok 1398
197: ok 1399
197: ok 1400
197: ok 1401
197: ok 1402
197: ok 1403
197: ok 1404
197: ok 1405
197: ok 1406
197: ok 1407
197: ok 1408
197: ok 1409
197: ok 1410
197: ok 1411
197: ok 1412
197: ok 1413
197: ok 1414
197: ok 1415
197: ok 1416
197: ok 1417
197: ok 1418
197: ok 1419
197: ok 1420
197: ok 1421
197: ok 1422
197: ok 1423
197: ok 1424
197: ok 1425
197: ok 1426
197: ok 1427
197: ok 1428
197: ok 1429
197: ok 1430
197: ok 1431
197: ok 1432
197: ok 1433
197: ok 1434
197: ok 1435
197: ok 1436
197: ok 1437
197: ok 1438
197: ok 1439
197: ok 1440
197: ok 1441
197: ok 1442
197: ok 1443
197: ok 1444
197: ok 1445
197: ok 1446
197: ok 1447
197: ok 1448
197: ok 1449
197: ok 1450
197: ok 1451
197: ok 1452
197: ok 1453
197: ok 1454
197: ok 1455
197: ok 1456
197: ok 1457
197: ok 1458
197: ok 1459
197: ok 1460
197: ok 1461
197: ok 1462
197: ok 1463
197: ok 1464
197: ok 1465
197: ok 1466
197: ok 1467
197: ok 1468
197: ok 1469
197: ok 1470
197: ok 1471
197: ok 1472
197: ok 1473
197: ok 1474
197: ok 1475
197: ok 1476
197: ok 1477
197: ok 1478
197: ok 1479
197: ok 1480
197: ok 1481
197: ok 1482
197: ok 1483
197: ok 1484
197: ok 1485
197: ok 1486
197: ok 1487
197: ok 1488
197: ok 1489
197: ok 1490
197: ok 1491
197: ok 1492
197: ok 1493
197: ok 1494
197: ok 1495
197: ok 1496
197: ok 1497
197: ok 1498
197: ok 1499
197: ok 1500
197: ok 1501
197: ok 1502
197: ok 1503
197: ok 1504
197: ok 1505
197: ok 1506
197: ok 1507
197: ok 1508
197: ok 1509
197: ok 1510
197: ok 1511
197: ok 1512
197: ok 1513
197: ok 1514
197: ok 1515
197: ok 1516
197: ok 1517
197: ok 1518
197: ok 1519
197: ok 1520
197: ok 1521
197: ok 1522
197: ok 1523
197: ok 1524
197: ok 1525
197: ok 1526
197: ok 1527
197: ok 1528
197: ok 1529
197: ok 1530
197: ok 1531
197: ok 1532
197: ok 1533
197: ok 1534
197: ok 1535
197: ok 1536
197: ok 1537
197: ok 1538
197: ok 1539
197: ok 1540
197: ok 1541
197: ok 1542
197: ok 1543
197: ok 1544
197: ok 1545
197: ok 1546
197: ok 1547
197: ok 1548
197: ok 1549
197: ok 1550
197: ok 1551
197: ok 1552
197: ok 1553
197: ok 1554
197: ok 1555
197: ok 1556
197: ok 1557
197: ok 1558
197: ok 1559
197: ok 1560
197: ok 1561
197: ok 1562
197: ok 1563
197: ok 1564
197: ok 1565
197: ok 1566
197: ok 1567
197: ok 1568
197: ok 1569
197: ok 1570
197: ok 1571
197: ok 1572
197: ok 1573
197: ok 1574
197: ok 1575
197: ok 1576
197: ok 1577
197: ok 1578
197: ok 1579
197: ok 1580
197: ok 1581
197: ok 1582
197: ok 1583
197: ok 1584
197: ok 1585
197: ok 1586
197: ok 1587
197: ok 1588
197: ok 1589
197: ok 1590
197: ok 1591
197: ok 1592
197: ok 1593
197: ok 1594
197: ok 1595
197: ok 1596
197: ok 1597
197: ok 1598
197: ok 1599
197: ok 1600
197: ok 1601
197: ok 1602
197: ok 1603
197: ok 1604
197: ok 1605
197: ok 1606
197: ok 1607
197: ok 1608
197: ok 1609
197: ok 1610
197: ok 1611
197: ok 1612
197: ok 1613
197: ok 1614
197: ok 1615
197: ok 1616
197: ok 1617
197: ok 1618
197: ok 1619
197: ok 1620
197: ok 1621
197: ok 1622
197: ok 1623
197: ok 1624
197: ok 1625
197: ok 1626
197: ok 1627
197: ok 1628
197: ok 1629
197: ok 1630
197: ok 1631
197: ok 1632
197: ok 1633
197: ok 1634
197: ok 1635
197: ok 1636
197: ok 1637
197: ok 1638
197: ok 1639
197: ok 1640
197: ok 1641
197: ok 1642
197: ok 1643
197: ok 1644
197: ok 1645
197: ok 1646
197: ok 1647
197: ok 1648
197: ok 1649
197: ok 1650
197: ok 1651
197: ok 1652
197: ok 1653
197: ok 1654
197: ok 1655
197: ok 1656
197: ok 1657
197: ok 1658
197: ok 1659
197: ok 1660
197: ok 1661
197: ok 1662
197: ok 1663
197: ok 1664
197: ok 1665
197: ok 1666
197: ok 1667
197: ok 1668
197: ok 1669
197: ok 1670
197: ok 1671
197: ok 1672
197: ok 1673
197: ok 1674
197: ok 1675
197: ok 1676
197: ok 1677
197: ok 1678
197: ok 1679
197: ok 1680
197: ok 1681
197: ok 1682
197: ok 1683
197: ok 1684
197: ok 1685
197: ok 1686
197: ok 1687
197: ok 1688
197: ok 1689
197: ok 1690
197: ok 1691
197: ok 1692
197: ok 1693
197: ok 1694
197: ok 1695
197: ok 1696
197: ok 1697
197: ok 1698
197: ok 1699
197: ok 1700
197: ok 1701
197: ok 1702
197: ok 1703
197: ok 1704
197: ok 1705
197: ok 1706
197: ok 1707
197: ok 1708
197: ok 1709
197: ok 1710
197: ok 1711
197: ok 1712
197: ok 1713
197: ok 1714
197: ok 1715
197: ok 1716
197: ok 1717
197: ok 1718
197: ok 1719
197: ok 1720
197: ok 1721
197: ok 1722
197: ok 1723
197: ok 1724
197: ok 1725
197: ok 1726
197: ok 1727
197: ok 1728
197: ok 1729
197: ok 1730
197: ok 1731
197: ok 1732
197: ok 1733
197: ok 1734
197: ok 1735
197: ok 1736
197: ok 1737
197: ok 1738
197: ok 1739
197: ok 1740
197: ok 1741
197: ok 1742
197: ok 1743
197: ok 1744
197: ok 1745
197: ok 1746
197: ok 1747
197: ok 1748
197: ok 1749
197: ok 1750
197: ok 1751
197: ok 1752
197: ok 1753
197: ok 1754
197: ok 1755
197: ok 1756
197: ok 1757
197: ok 1758
197: ok 1759
197: ok 1760
197: ok 1761
197: ok 1762
197: ok 1763
197: ok 1764
197: ok 1765
197: ok 1766
197: ok 1767
197: ok 1768
197: ok 1769
197: ok 1770
197: ok 1771
197: ok 1772
197: ok 1773
197: ok 1774
197: ok 1775
197: ok 1776
197: ok 1777
197: ok 1778
197: ok 1779
197: ok 1780
197: ok 1781
197: ok 1782
197: ok 1783
197: ok 1784
197: ok 1785
197: ok 1786
197: ok 1787
197: ok 1788
197: ok 1789
197: ok 1790
197: ok 1791
197: ok 1792
197: ok 1793
197: ok 1794
197: ok 1795
197: ok 1796
197: ok 1797
197: ok 1798
197: ok 1799
197: ok 1800
197: ok 1801
197: ok 1802
197: ok 1803
197: ok 1804
197: ok 1805
197: ok 1806
197: ok 1807
197: ok 1808
197: ok 1809
197: ok 1810
197: ok 1811
197: ok 1812
197: ok 1813
197: ok 1814
197: ok 1815
197: ok 1816
197: ok 1817
197: ok 1818
197: ok 1819
197: ok 1820
197: ok 1821
197: ok 1822
197: ok 1823
197: ok 1824
197: ok 1825
197: ok 1826
197: ok 1827
197: ok 1828
197: ok 1829
197: ok 1830
197: ok 1831
197: ok 1832
197: ok 1833
197: ok 1834
197: ok 1835
197: ok 1836
197: ok 1837
197: ok 1838
197: ok 1839
197: ok 1840
197: ok 1841
197: ok 1842
197: ok 1843
197: ok 1844
197: ok 1845
197: ok 1846
197: ok 1847
197: ok 1848
197: ok 1849
197: ok 1850
197: ok 1851
197: ok 1852
197: ok 1853
197: ok 1854
197: ok 1855
197: ok 1856
197: ok 1857
197: ok 1858
197: ok 1859
197: ok 1860
197: ok 1861
197: ok 1862
197: ok 1863
197: ok 1864
197: ok 1865
197: ok 1866
197: ok 1867
197: ok 1868
197: ok 1869
197: ok 1870
197: ok 1871
197: ok 1872
197: ok 1873
197: ok 1874
197: ok 1875
197: ok 1876
197: ok 1877
197: ok 1878
197: ok 1879
197: ok 1880
197: ok 1881
197: ok 1882
197: ok 1883
197: ok 1884
197: ok 1885
197: ok 1886
197: ok 1887
197: ok 1888
197: ok 1889
197: ok 1890
197: ok 1891
197: ok 1892
197: ok 1893
197: ok 1894
197: ok 1895
197: ok 1896
197: ok 1897
197: ok 1898
197: ok 1899
197: ok 1900
197: ok 1901
197: ok 1902
197: ok 1903
197: ok 1904
197: ok 1905
197: ok 1906
197: ok 1907
197: ok 1908
197: ok 1909
197: ok 1910
197: ok 1911
197: ok 1912
197: ok 1913
197: ok 1914
197: ok 1915
197: ok 1916
197: ok 1917
197: ok 1918
197: ok 1919
197: ok 1920
197: ok 1921
197: ok 1922
197: ok 1923
197: ok 1924
197: ok 1925
197: ok 1926
197: ok 1927
197: ok 1928
197: ok 1929
197: ok 1930
197: ok 1931
197: ok 1932
197: ok 1933
197: ok 1934
197: ok 1935
197: ok 1936
197: ok 1937
197: ok 1938
197: ok 1939
197: ok 1940
197: ok 1941
197: ok 1942
197: ok 1943
197: ok 1944
197: ok 1945
197: ok 1946
197: ok 1947
197: ok 1948
197: ok 1949
197: ok 1950
197: ok 1951
197: ok 1952
197: ok 1953
197: ok 1954
197: ok 1955
197: ok 1956
197: ok 1957
197: ok 1958
197: ok 1959
197: ok 1960
197: ok 1961
197: ok 1962
197: ok 1963
197: ok 1964
197: ok 1965
197: ok 1966
197: ok 1967
197: ok 1968
197: ok 1969
197: ok 1970
197: ok 1971
197: ok 1972
197: ok 1973
197: ok 1974
197: ok 1975
197: ok 1976
197: ok 1977
197: ok 1978
197: ok 1979
197: ok 1980
197: ok 1981
197: ok 1982
197: ok 1983
197: ok 1984
197: ok 1985
197: ok 1986
197: ok 1987
197: ok 1988
197: ok 1989
197: ok 1990
197: ok 1991
197: ok 1992
197: ok 1993
197: ok 1994
197: ok 1995
197: ok 1996
197: ok 1997
197: ok 1998
197: ok 1999
197: ok 2000
197: ok 2001
197: ok 2002
197: ok 2003
197: ok 2004
197: ok 2005
197: ok 2006
197: ok 2007
197: ok 2008
197: ok 2009
197: ok 2010
197: ok 2011
197: ok 2012
197: ok 2013
197: ok 2014
197: ok 2015
197: ok 2016
197: ok 2017
197: ok 2018
197: ok 2019
197: ok 2020
197: ok 2021
197: ok 2022
197: ok 2023
197: ok 2024
197: ok 2025
197: ok 2026
197: ok 2027
197: ok 2028
197: ok 2029
197: ok 2030
197: ok 2031
197: ok 2032
197: ok 2033
197: ok 2034
197: ok 2035
197: ok 2036
197: ok 2037
197: ok 2038
197: ok 2039
197: ok 2040
197: ok 2041
197: ok 2042
197: ok 2043
197: ok 2044
197: ok 2045
197: ok 2046
197: ok 2047
197: ok 2048
197: ok 2049
197: ok 2050
197: ok 2051
197: ok 2052
197: ok 2053
197: ok 2054
197: ok 2055
197: ok 2056
197: ok 2057
197: ok 2058
197: ok 2059
197: ok 2060
197: ok 2061
197: ok 2062
197: ok 2063
197: ok 2064
197: ok 2065
197: ok 2066
197: ok 2067
197: ok 2068
197: ok 2069
197: ok 2070
197: ok 2071
197: ok 2072
197: ok 2073
197: ok 2074
197: ok 2075
197: ok 2076
197: ok 2077
197: ok 2078
197: ok 2079
197: ok 2080
197: ok 2081
197: ok 2082
197: ok 2083
197: ok 2084
197: ok 2085
197: ok 2086
197: ok 2087
197: ok 2088
197: ok 2089
197: ok 2090
197: ok 2091
197: ok 2092
197: ok 2093
197: ok 2094
197: ok 2095
197: ok 2096
197: ok 2097
197: ok 2098
197: ok 2099
197: ok 2100
197: ok 2101
197: ok 2102
197: ok 2103
197: ok 2104
197: ok 2105
197: ok 2106
197: ok 2107
197: ok 2108
197: ok 2109
197: ok 2110
197: ok 2111
197: ok 2112
197: ok 2113
197: ok 2114
197: ok 2115
197: ok 2116
197: ok 2117
197: ok 2118
197: ok 2119
197: ok 2120
197: ok 2121
197: ok 2122
197: ok 2123
197: ok 2124
197: ok 2125
197: ok 2126
197: ok 2127
197: ok 2128
197: ok 2129
197: ok 2130
197: ok 2131
197: ok 2132
197: ok 2133
197: ok 2134
197: ok 2135
197: ok 2136
197: ok 2137
197: ok 2138
197: ok 2139
197: ok 2140
197: ok 2141
197: ok 2142
197: ok 2143
197: ok 2144
197: ok 2145
197: ok 2146
197: ok 2147
197: ok 2148
197: ok 2149
197: ok 2150
197: ok 2151
197: ok 2152
197: ok 2153
197: ok 2154
197: ok 2155
197: ok 2156
197: ok 2157
197: ok 2158
197: ok 2159
197: ok 2160
197: ok 2161
197: ok 2162
197: ok 2163
197: ok 2164
197: ok 2165
197: ok 2166
197: ok 2167
197: ok 2168
197: ok 2169
197: ok 2170
197: ok 2171
197: ok 2172
197: ok 2173
197: ok 2174
197: ok 2175
197: ok 2176
197: ok 2177
197: ok 2178
197: ok 2179
197: ok 2180
197: ok 2181
197: ok 2182
197: ok 2183
197: ok 2184
197: ok 2185
197: ok 2186
197: ok 2187
197: ok 2188
197: ok 2189
197: ok 2190
197: ok 2191
197: ok 2192
197: ok 2193
197: ok 2194
197: ok 2195
197: ok 2196
197: ok 2197
197: ok 2198
197: ok 2199
197: ok 2200
197: ok 2201
197: ok 2202
197: ok 2203
197: ok 2204
197: ok 2205
197: ok 2206
197: ok 2207
197: ok 2208
197: ok 2209
197: ok 2210
197: ok 2211
197: ok 2212
197: ok 2213
197: ok 2214
197: ok 2215
197: ok 2216
197: ok 2217
197: ok 2218
197: ok 2219
197: ok 2220
197: ok 2221
197: ok 2222
197: ok 2223
197: ok 2224
197: ok 2225
197: ok 2226
197: ok 2227
197: ok 2228
197: ok 2229
197: ok 2230
197: ok 2231
197: ok 2232
197: ok 2233
197: ok 2234
197: ok 2235
197: ok 2236
197: ok 2237
197: ok 2238
197: ok 2239
197: ok 2240
197: ok 2241
197: ok 2242
197: ok 2243
197: ok 2244
197: ok 2245
197: ok 2246
197: ok 2247
197: ok 2248
197: ok 2249
197: ok 2250
197: ok 2251
197: ok 2252
197: ok 2253
197: ok 2254
197: ok 2255
197: ok 2256
197: ok 2257
197: ok 2258
197: ok 2259
197: ok 2260
197: ok 2261
197: ok 2262
197: ok 2263
197: ok 2264
197: ok 2265
197: ok 2266
197: ok 2267
197: ok 2268
197: ok 2269
197: ok 2270
197: ok 2271
197: ok 2272
197: ok 2273
197: ok 2274
197: ok 2275
197: ok 2276
197: ok 2277
197: ok 2278
197: ok 2279
197: ok 2280
197: ok 2281
197: ok 2282
197: ok 2283
197: ok 2284
197: ok 2285
197: ok 2286
197: ok 2287
197: ok 2288
197: ok 2289
197: ok 2290
197: ok 2291
197: ok 2292
197: ok 2293
197: ok 2294
197: ok 2295
197: ok 2296
197: ok 2297
197: ok 2298
197: ok 2299
197: ok 2300
197: ok 2301
197: ok 2302
197: ok 2303
197: ok 2304
197: ok 2305
197: ok 2306
197: ok 2307
197: ok 2308
197: ok 2309
197: ok 2310
197: ok 2311
197: ok 2312
197: ok 2313
197: ok 2314
197: ok 2315
197: ok 2316
197: ok 2317
197: ok 2318
197: ok 2319
197: ok 2320
197: ok 2321
197: ok 2322
197: ok 2323
197: ok 2324
197: ok 2325
197: ok 2326
197: ok 2327
197: ok 2328
197: ok 2329
197: ok 2330
197: ok 2331
197: ok 2332
197: ok 2333
197: ok 2334
197: ok 2335
197: ok 2336
197: ok 2337
197: ok 2338
197: ok 2339
197: ok 2340
197: ok 2341
197: ok 2342
197: ok 2343
197: ok 2344
197: ok 2345
197: ok 2346
197: ok 2347
197: ok 2348
197: ok 2349
197: ok 2350
197: ok 2351
197: ok 2352
197: ok 2353
197: ok 2354
197: ok 2355
197: ok 2356
197: ok 2357
197: ok 2358
197: ok 2359
197: ok 2360
197: ok 2361
197: ok 2362
197: ok 2363
197: ok 2364
197: ok 2365
197: ok 2366
197: ok 2367
197: ok 2368
197: ok 2369
197: ok 2370
197: ok 2371
197: ok 2372
197: ok 2373
197: ok 2374
197: ok 2375
197: ok 2376
197: ok 2377
197: ok 2378
197: ok 2379
197: ok 2380
197: ok 2381
197: ok 2382
197: ok 2383
197: ok 2384
197: ok 2385
197: ok 2386
197: ok 2387
197: ok 2388
197: ok 2389
197: ok 2390
197: ok 2391
197: ok 2392
197: ok 2393
197: ok 2394
197: ok 2395
197: ok 2396
197: ok 2397
197: ok 2398
197: ok 2399
197: ok 2400
197: ok 2401
197: ok 2402
197: ok 2403
197: ok 2404
197: ok 2405
197: ok 2406
197: ok 2407
197: ok 2408
197: ok 2409
197: ok 2410
197: ok 2411
197: ok 2412
197: ok 2413
197: ok 2414
197: ok 2415
197: ok 2416
197: ok 2417
197: ok 2418
197: ok 2419
197: ok 2420
197: ok 2421
197: ok 2422
197: ok 2423
197: ok 2424
197: ok 2425
197: ok 2426
197: ok 2427
197: ok 2428
197: ok 2429
197: ok 2430
197: ok 2431
197: ok 2432
197: ok 2433
197: ok 2434
197: ok 2435
197: ok 2436
197: ok 2437
197: ok 2438
197: ok 2439
197: ok 2440
197: ok 2441
197: ok 2442
197: ok 2443
197: ok 2444
197: ok 2445
197: ok 2446
197: ok 2447
197: ok 2448
197: ok 2449
197: ok 2450
197: ok 2451
197: ok 2452
197: ok 2453
197: ok 2454
197: ok 2455
197: ok 2456
197: ok 2457
197: ok 2458
197: ok 2459
197: ok 2460
197: ok 2461
197: ok 2462
197: ok 2463
197: ok 2464
197: ok 2465
197: ok 2466
197: ok 2467
197: ok 2468
197: ok 2469
197: ok 2470
197: ok 2471
197: ok 2472
197: ok 2473
197: ok 2474
197: ok 2475
197: ok 2476
197: ok 2477
197: ok 2478
197: ok 2479
197: ok 2480
197: ok 2481
197: ok 2482
197: ok 2483
197: ok 2484
197: ok 2485
197: ok 2486
197: ok 2487
197: ok 2488
197: ok 2489
197: ok 2490
197: ok 2491
197: ok 2492
197: ok 2493
197: ok 2494
197: ok 2495
197: ok 2496
197: ok 2497
197: ok 2498
197: ok 2499
197: ok 2500
197: ok 2501
197: ok 2502
197: ok 2503
197: ok 2504
197: ok 2505
197: ok 2506
197: ok 2507
197: ok 2508
197: ok 2509
197: ok 2510
197: ok 2511
197: ok 2512
197: ok 2513
197: ok 2514
197: ok 2515
197: ok 2516
197: ok 2517
197: ok 2518
197: ok 2519
197: ok 2520
197: ok 2521
197: ok 2522
197: ok 2523
197: ok 2524
197: ok 2525
197: ok 2526
197: ok 2527
197: ok 2528
197: ok 2529
197: ok 2530
197: ok 2531
197: ok 2532
197: ok 2533
197: ok 2534
197: ok 2535
197: ok 2536
197: ok 2537
197: ok 2538
197: ok 2539
197: ok 2540
197: ok 2541
197: ok 2542
197: ok 2543
197: ok 2544
197: ok 2545
197: ok 2546
197: ok 2547
197: ok 2548
197: ok 2549
197: ok 2550
197: ok 2551
197: ok 2552
197: ok 2553
197: ok 2554
197: ok 2555
197: ok 2556
197: ok 2557
197: ok 2558
197: ok 2559
197: ok 2560
197: ok 2561
197: ok 2562
197: ok 2563
197: ok 2564
197: ok 2565
197: ok 2566
197: ok 2567
197: ok 2568
197: ok 2569
197: ok 2570
197: ok 2571
197: ok 2572
197: ok 2573
197: ok 2574
197: ok 2575
197: ok 2576
197: ok 2577
197: ok 2578
197: ok 2579
197: ok 2580
197: ok 2581
197: ok 2582
197: ok 2583
197: ok 2584
197: ok 2585
197: ok 2586
197: ok 2587
197: ok 2588
197: ok 2589
197: ok 2590
197: ok 2591
197: ok 2592
197: ok 2593
197: ok 2594
197: ok 2595
197: ok 2596
197: ok 2597
197: ok 2598
197: ok 2599
197: ok 2600
197: ok 2601
197: ok 2602
197: ok 2603
197: ok 2604
197: ok 2605
197: ok 2606
197: ok 2607
197: ok 2608
197: ok 2609
197: ok 2610
197: ok 2611
197: ok 2612
197: ok 2613
197: ok 2614
197: ok 2615
197: ok 2616
197: ok 2617
197: ok 2618
197: ok 2619
197: ok 2620
197: ok 2621
197: ok 2622
197: ok 2623
197: ok 2624
197: ok 2625
197: ok 2626
197: ok 2627
197: ok 2628
197: ok 2629
197: ok 2630
197: ok 2631
197: ok 2632
197: ok 2633
197: ok 2634
197: ok 2635
197: ok 2636
197: ok 2637
197: ok 2638
197: ok 2639
197: ok 2640
197: ok 2641
197: ok 2642
197: ok 2643
197: ok 2644
197: ok 2645
197: ok 2646
197: ok 2647
197: ok 2648
197: ok 2649
197: ok 2650
197: ok 2651
197: ok 2652
197: ok 2653
197: ok 2654
197: ok 2655
197: ok 2656
197: ok 2657
197: ok 2658
197: ok 2659
197: ok 2660
197: ok 2661
197: ok 2662
197: ok 2663
197: ok 2664
197: ok 2665
197: ok 2666
197: ok 2667
197: ok 2668
197: ok 2669
197: ok 2670
197: ok 2671
197: ok 2672
197: ok 2673
197: ok 2674
197: ok 2675
197: ok 2676
197: ok 2677
197: ok 2678
197: ok 2679
197: ok 2680
197: ok 2681
197: ok 2682
197: ok 2683
197: ok 2684
197: ok 2685
197: ok 2686
197: ok 2687
197: ok 2688
197: ok 2689
197: ok 2690
197: ok 2691
197: ok 2692
197: ok 2693
197: ok 2694
197: ok 2695
197: ok 2696
197: ok 2697
197: ok 2698
197: ok 2699
197: ok 2700
197: ok 2701
197: ok 2702
197: ok 2703
197: ok 2704
197: ok 2705
197: ok 2706
197: ok 2707
197: ok 2708
197: ok 2709
197: ok 2710
197: ok 2711
197: ok 2712
197: ok 2713
197: ok 2714
197: ok 2715
197: ok 2716
197: ok 2717
197: ok 2718
197: ok 2719
197: ok 2720
197: ok 2721
197: ok 2722
197: ok 2723
197: ok 2724
197: ok 2725
197: ok 2726
197: ok 2727
197: ok 2728
197: ok 2729
197: ok 2730
197: ok 2731
197: ok 2732
197: ok 2733
197: ok 2734
197: ok 2735
197: ok 2736
197: ok 2737
197: ok 2738
197: ok 2739
197: ok 2740
197: ok 2741
197: ok 2742
197: ok 2743
197: ok 2744
197: ok 2745
197: ok 2746
197: ok 2747
197: ok 2748
197: ok 2749
197: ok 2750
197: ok 2751
197: ok 2752
197: ok 2753
197: ok 2754
197: ok 2755
197: ok 2756
197: ok 2757
197: ok 2758
197: ok 2759
197: ok 2760
197: ok 2761
197: ok 2762
197: ok 2763
197: ok 2764
197: ok 2765
197: ok 2766
197: ok 2767
197: ok 2768
197: ok 2769
197: ok 2770
197: ok 2771
197: ok 2772
197: ok 2773
197: ok 2774
197: ok 2775
197: ok 2776
197: ok 2777
197: ok 2778
197: ok 2779
197: ok 2780
197: ok 2781
197: ok 2782
197: ok 2783
197: ok 2784
197: ok 2785
197: ok 2786
197: ok 2787
197: ok 2788
197: ok 2789
197: ok 2790
197: ok 2791
197: ok 2792
197: ok 2793
197: ok 2794
197: ok 2795
197: ok 2796
197: ok 2797
197: ok 2798
197: ok 2799
197: ok 2800
197: ok 2801
197: ok 2802
197: ok 2803
197: ok 2804
197: ok 2805
197: ok 2806
197: ok 2807
197: ok 2808
197: ok 2809
197: ok 2810
197: ok 2811
197: ok 2812
197: ok 2813
197: ok 2814
197: ok 2815
197: ok 2816
197: ok 2817
197: ok 2818
197: ok 2819
197: ok 2820
197: ok 2821
197: ok 2822
197: ok 2823
197: ok 2824
197: ok 2825
197: ok 2826
197: ok 2827
197: ok 2828
197: ok 2829
197: ok 2830
197: ok 2831
197: ok 2832
197: ok 2833
197: ok 2834
197: ok 2835
197: ok 2836
197: ok 2837
197: ok 2838
197: ok 2839
197: ok 2840
197: ok 2841
197: ok 2842
197: ok 2843
197: ok 2844
197: ok 2845
197: ok 2846
197: ok 2847
197: ok 2848
197: ok 2849
197: ok 2850
197: ok 2851
197: ok 2852
197: ok 2853
197: ok 2854
197: ok 2855
197: ok 2856
197: ok 2857
197: ok 2858
197: ok 2859
197: ok 2860
197: ok 2861
197: ok 2862
197: ok 2863
197: ok 2864
197: ok 2865
197: ok 2866
197: ok 2867
197: ok 2868
197: ok 2869
197: ok 2870
197: ok 2871
197: ok 2872
197: ok 2873
197: ok 2874
197: ok 2875
197: ok 2876
197: ok 2877
197: ok 2878
197: ok 2879
197: ok 2880
197: ok 2881
197: ok 2882
197: ok 2883
197: ok 2884
197: ok 2885
197: ok 2886
197: ok 2887
197: ok 2888
197: ok 2889
197: ok 2890
197: ok 2891
197: ok 2892
197: ok 2893
197: ok 2894
197: ok 2895
197: ok 2896
197: ok 2897
197: ok 2898
197: ok 2899
197: ok 2900
197: ok 2901
197: ok 2902
197: ok 2903
197: ok 2904
197: ok 2905
197: ok 2906
197: ok 2907
197: ok 2908
197: ok 2909
197: ok 2910
197: ok 2911
197: ok 2912
197: ok 2913
197: ok 2914
197: ok 2915
197: ok 2916
197: ok 2917
197: ok 2918
197: ok 2919
197: ok 2920
197: ok 2921
197: ok 2922
197: ok 2923
197: ok 2924
197: ok 2925
197: ok 2926
197: ok 2927
197: ok 2928
197: ok 2929
197: ok 2930
197: ok 2931
197: ok 2932
197: ok 2933
197: ok 2934
197: ok 2935
197: ok 2936
197: ok 2937
197: ok 2938
197: ok 2939
197: ok 2940
197: ok 2941
197: ok 2942
197: ok 2943
197: ok 2944
197: ok 2945
197: ok 2946
197: ok 2947
197: ok 2948
197: ok 2949
197: ok 2950
197: ok 2951
197: ok 2952
197: ok 2953
197: ok 2954
197: ok 2955
197: ok 2956
197: ok 2957
197: ok 2958
197: ok 2959
197: ok 2960
197: ok 2961
197: ok 2962
197: ok 2963
197: ok 2964
197: ok 2965
197: ok 2966
197: ok 2967
197: ok 2968
197: ok 2969
197: ok 2970
197: ok 2971
197: ok 2972
197: ok 2973
197: ok 2974
197: ok 2975
197: ok 2976
197: ok 2977
197: ok 2978
197: ok 2979
197: ok 2980
197: ok 2981
197: ok 2982
197: ok 2983
197: ok 2984
197: ok 2985
197: ok 2986
197: ok 2987
197: ok 2988
197: ok 2989
197: ok 2990
197: ok 2991
197: ok 2992
197: ok 2993
197: ok 2994
197: ok 2995
197: ok 2996
197: ok 2997
197: ok 2998
197: ok 2999
197: ok 3000
197: ok 3001
197: ok 3002
197: ok 3003
197: ok 3004
197: ok 3005
197: ok 3006
197: ok 3007
197: ok 3008
197: ok 3009
197: ok 3010
197: ok 3011
197: ok 3012
197: ok 3013
197: ok 3014
197: ok 3015
197: ok 3016
197: ok 3017
197: ok 3018
197: ok 3019
197: ok 3020
197: ok 3021
197: ok 3022
197: ok 3023
197: ok 3024
197: ok 3025
197: ok 3026
197: ok 3027
197: ok 3028
197: ok 3029
197: ok 3030
197: ok 3031
197: ok 3032
197: ok 3033
197: ok 3034
197: ok 3035
197: ok 3036
197: ok 3037
197: ok 3038
197: ok 3039
197: ok 3040
197: ok 3041
197: ok 3042
197: ok 3043
197: ok 3044
197: ok 3045
197: ok 3046
197: ok 3047
197: ok 3048
197: ok 3049
197: ok 3050
197: ok 3051
197: ok 3052
197: ok 3053
197: ok 3054
197: ok 3055
197: ok 3056
197: ok 3057
197: ok 3058
197: ok 3059
197: ok 3060
197: ok 3061
197: ok 3062
197: ok 3063
197: ok 3064
197: ok 3065
197: ok 3066
197: ok 3067
197: ok 3068
197: ok 3069
197: ok 3070
197: ok 3071
197: ok 3072
197: ok 3073
197: ok 3074
197: ok 3075
197: ok 3076
197: ok 3077
197: ok 3078
197: ok 3079
197: ok 3080
197: ok 3081
197: ok 3082
197: ok 3083
197: ok 3084
197: ok 3085
197: ok 3086
197: ok 3087
197: ok 3088
197: ok 3089
197: ok 3090
197: ok 3091
197: ok 3092
197: ok 3093
197: ok 3094
197: ok 3095
197: ok 3096
197: ok 3097
197: ok 3098
197: ok 3099
197: ok 3100
197: ok 3101
197: ok 3102
197: ok 3103
197: ok 3104
197: ok 3105
197: ok 3106
197: ok 3107
197: ok 3108
197: ok 3109
197: ok 3110
197: ok 3111
197: ok 3112
197: ok 3113
197: ok 3114
197: ok 3115
197: ok 3116
197: ok 3117
197: ok 3118
197: ok 3119
197: ok 3120
197: ok 3121
197: ok 3122
197: ok 3123
197: ok 3124
197: ok 3125
197: ok 3126
197: ok 3127
197: ok 3128
197: ok 3129
197: ok 3130
197: ok 3131
197: ok 3132
197: ok 3133
197: ok 3134
197: ok 3135
197: ok 3136
197: ok 3137
197: ok 3138
197: ok 3139
197: ok 3140
197: ok 3141
197: ok 3142
197: ok 3143
197: ok 3144
197: ok 3145
197: ok 3146
197: ok 3147
197: ok 3148
197: ok 3149
197: ok 3150
197: ok 3151
197: ok 3152
197: ok 3153
197: ok 3154
197: ok 3155
197: ok 3156
197: ok 3157
197: ok 3158
197: ok 3159
197: ok 3160
197: ok 3161
197: ok 3162
197: ok 3163
197: ok 3164
197: ok 3165
197: ok 3166
197: ok 3167
197: ok 3168
197: ok 3169
197: ok 3170
197: ok 3171
197: ok 3172
197: ok 3173
197: ok 3174
197: ok 3175
197: ok 3176
197: ok 3177
197: ok 3178
197: ok 3179
197: ok 3180
197: ok 3181
197: ok 3182
197: ok 3183
197: ok 3184
197: ok 3185
197: ok 3186
197: ok 3187
197: ok 3188
197: ok 3189
197: ok 3190
197: ok 3191
197: ok 3192
197: ok 3193
197: ok 3194
197: ok 3195
197: ok 3196
197: ok 3197
197: ok 3198
197: ok 3199
197: ok 3200
197: ok 3201
197: ok 3202
197: ok 3203
197: ok 3204
197: ok 3205
197: ok 3206
197: ok 3207
197: ok 3208
197: ok 3209
197: ok 3210
197: ok 3211
197: ok 3212
197: ok 3213
197: ok 3214
197: ok 3215
197: ok 3216
197: ok 3217
197: ok 3218
197: ok 3219
197: ok 3220
197: ok 3221
197: ok 3222
197: ok 3223
197: ok 3224
197: ok 3225
197: ok 3226
197: ok 3227
197: ok 3228
197: ok 3229
197: ok 3230
197: ok 3231
197: ok 3232
197: ok 3233
197: ok 3234
197: ok 3235
197: ok 3236
197: ok 3237
197: ok 3238
197: ok 3239
197: ok 3240
197: ok 3241
197: ok 3242
197: ok 3243
197: ok 3244
197: ok 3245
197: ok 3246
197: ok 3247
197: ok 3248
197: ok 3249
197: ok 3250
197: ok 3251
197: ok 3252
197: ok 3253
197: ok 3254
197: ok 3255
197: ok 3256
197: ok 3257
197: ok 3258
197: ok 3259
197: ok 3260
197: ok 3261
197: ok 3262
197: ok 3263
197: ok 3264
197: ok 3265
197: ok 3266
197: ok 3267
197: ok 3268
197: ok 3269
197: ok 3270
197: ok 3271
197: ok 3272
197: ok 3273
197: ok 3274
197: ok 3275
197: ok 3276
197: ok 3277
197: ok 3278
197: ok 3279
197: ok 3280
197: ok 3281
197: ok 3282
197: ok 3283
197: ok 3284
197: ok 3285
197: ok 3286
197: ok 3287
197: ok 3288
197: ok 3289
197: ok 3290
197: ok 3291
197: ok 3292
197: ok 3293
197: ok 3294
197: ok 3295
197: ok 3296
197: ok 3297
197: ok 3298
197: ok 3299
197: ok 3300
197: ok 3301
197: ok 3302
197: ok 3303
197: ok 3304
197: ok 3305
197: ok 3306
197: ok 3307
197: ok 3308
197: ok 3309
197: ok 3310
197: ok 3311
197: ok 3312
197: ok 3313
197: ok 3314
197: ok 3315
197: ok 3316
197: ok 3317
197: ok 3318
197: ok 3319
197: ok 3320
197: ok 3321
197: ok 3322
197: ok 3323
197: ok 3324
197: ok 3325
197: ok 3326
197: ok 3327
197: ok 3328
197: ok 3329
197: ok 3330
197: ok 3331
197: ok 3332
197: ok 3333
197: ok 3334
197: ok 3335
197: ok 3336
197: ok 3337
197: ok 3338
197: ok 3339
197: ok 3340
197: ok 3341
197: ok 3342
197: ok 3343
197: ok 3344
197: ok 3345
197: ok 3346
197: ok 3347
197: ok 3348
197: ok 3349
197: ok 3350
197: ok 3351
197: ok 3352
197: ok 3353
197: ok 3354
197: ok 3355
197: ok 3356
197: ok 3357
197: ok 3358
197: ok 3359
197: ok 3360
197: ok 3361
197: ok 3362
197: ok 3363
197: ok 3364
197: ok 3365
197: ok 3366
197: ok 3367
197: ok 3368
197: ok 3369
197: ok 3370
197: ok 3371
197: ok 3372
197: ok 3373
197: ok 3374
197: ok 3375
197: ok 3376
197: ok 3377
197: ok 3378
197: ok 3379
197: ok 3380
197: ok 3381
197: ok 3382
197: ok 3383
197: ok 3384
197: ok 3385
197: ok 3386
197: ok 3387
197: ok 3388
197: ok 3389
197: ok 3390
197: ok 3391
197: ok 3392
197: ok 3393
197: ok 3394
197: ok 3395
197: ok 3396
197: ok 3397
197: ok 3398
197: ok 3399
197: ok 3400
197: ok 3401
197: ok 3402
197: ok 3403
197: ok 3404
197: ok 3405
197: ok 3406
197: ok 3407
197: ok 3408
197: ok 3409
197: ok 3410
197: ok 3411
197: ok 3412
197: ok 3413
197: ok 3414
197: ok 3415
197: ok 3416
197: ok 3417
197: ok 3418
197: ok 3419
197: ok 3420
197: ok 3421
197: ok 3422
197: ok 3423
197: ok 3424
197: ok 3425
197: ok 3426
197: ok 3427
197: ok 3428
197: ok 3429
197: ok 3430
197: ok 3431
197: ok 3432
197: ok 3433
197: ok 3434
197: ok 3435
197: ok 3436
197: ok 3437
197: ok 3438
197: ok 3439
197: ok 3440
197: ok 3441
197: ok 3442
197: ok 3443
197: ok 3444
197: ok 3445
197: ok 3446
197: ok 3447
197: ok 3448
197: ok 3449
197: ok 3450
197: ok 3451
197: ok 3452
197: ok 3453
197: ok 3454
197: ok 3455
197: ok 3456
197: ok 3457
197: ok 3458
197: ok 3459
197: ok 3460
197: ok 3461
197: ok 3462
197: ok 3463
197: ok 3464
197: ok 3465
197: ok 3466
197: ok 3467
197: ok 3468
197: ok 3469
197: ok 3470
197: ok 3471
197: ok 3472
197: ok 3473
197: ok 3474
197: ok 3475
197: ok 3476
197: ok 3477
197: ok 3478
197: ok 3479
197: ok 3480
197: ok 3481
197: ok 3482
197: ok 3483
197: ok 3484
197: ok 3485
197: ok 3486
197: ok 3487
197: ok 3488
197: ok 3489
197: ok 3490
197: ok 3491
197: ok 3492
197: ok 3493
197: ok 3494
197: ok 3495
197: ok 3496
197: ok 3497
197: ok 3498
197: ok 3499
197: ok 3500
197: ok 3501
197: ok 3502
197: ok 3503
197: ok 3504
197: ok 3505
197: ok 3506
197: ok 3507
197: ok 3508
197: ok 3509
197: ok 3510
197: ok 3511
197: ok 3512
197: ok 3513
197: ok 3514
197: ok 3515
197: ok 3516
197: ok 3517
197: ok 3518
197: ok 3519
197: ok 3520
197: ok 3521
197: ok 3522
197: ok 3523
197: ok 3524
197: ok 3525
197: ok 3526
197: ok 3527
197: ok 3528
197: ok 3529
197: ok 3530
197: ok 3531
197: ok 3532
197: ok 3533
197: ok 3534
197: ok 3535
197: ok 3536
197: ok 3537
197: ok 3538
197: ok 3539
197: ok 3540
197: ok 3541
197: ok 3542
197: ok 3543
197: ok 3544
197: ok 3545
197: ok 3546
197: ok 3547
197: ok 3548
197: ok 3549
197: ok 3550
197: ok 3551
197: ok 3552
197: ok 3553
197: ok 3554
197: ok 3555
197: ok 3556
197: ok 3557
197: ok 3558
197: ok 3559
197: ok 3560
197: ok 3561
197: ok 3562
197: ok 3563
197: ok 3564
197: ok 3565
197: ok 3566
197: ok 3567
197: ok 3568
197: ok 3569
197: ok 3570
197: ok 3571
197: ok 3572
197: ok 3573
197: ok 3574
197: ok 3575
197: ok 3576
197: ok 3577
197: ok 3578
197: ok 3579
197: ok 3580
197: ok 3581
197: ok 3582
197: ok 3583
197: ok 3584
197: ok 3585
197: ok 3586
197: ok 3587
197: ok 3588
197: ok 3589
197: ok 3590
197: ok 3591
197: ok 3592
197: ok 3593
197: ok 3594
197: ok 3595
197: ok 3596
197: ok 3597
197: ok 3598
197: ok 3599
197: ok 3600
197: ok 3601
197: ok 3602
197: ok 3603
197: ok 3604
197: ok 3605
197: ok 3606
197: ok 3607
197: ok 3608
197: ok 3609
197: ok 3610
197: ok 3611
197: ok 3612
197: ok 3613
197: ok 3614
197: ok 3615
197: ok 3616
197: ok 3617
197: ok 3618
197: ok 3619
197: ok 3620
197: ok 3621
197: ok 3622
197: ok 3623
197: ok 3624
197: ok 3625
197: ok 3626
197: ok 3627
197: ok 3628
197: ok 3629
197: ok 3630
197: ok 3631
197: ok 3632
197: ok 3633
197: ok 3634
197: ok 3635
197: ok 3636
197: ok 3637
197: ok 3638
197: ok 3639
197: ok 3640
197: ok 3641
197: ok 3642
197: ok 3643
197: ok 3644
197: ok 3645
197: ok 3646
197: ok 3647
197: ok 3648
197: ok 3649
197: ok 3650
197: ok 3651
197: ok 3652
197: ok 3653
197: ok 3654
197: ok 3655
197: ok 3656
197: ok 3657
197: ok 3658
197: ok 3659
197: ok 3660
197: ok 3661
197: ok 3662
197: ok 3663
197: ok 3664
197: ok 3665
197: ok 3666
197: ok 3667
197: ok 3668
197: ok 3669
197: ok 3670
197: ok 3671
197: ok 3672
197: ok 3673
197: ok 3674
197: ok 3675
197: ok 3676
197: ok 3677
197: ok 3678
197: ok 3679
197: ok 3680
197: ok 3681
197: ok 3682
197: ok 3683
197: ok 3684
197: ok 3685
197: ok 3686
197: ok 3687
197: ok 3688
197: ok 3689
197: ok 3690
197: ok 3691
197: ok 3692
197: ok 3693
197: ok 3694
197: ok 3695
197: ok 3696
197: ok 3697
197: ok 3698
197: ok 3699
197: ok 3700
197: ok 3701
197: ok 3702
197: ok 3703
197: ok 3704
197: ok 3705
197: ok 3706
197: ok 3707
197: ok 3708
197: ok 3709
197: ok 3710
197: ok 3711
197: ok 3712
197: ok 3713
197: ok 3714
197: ok 3715
197: ok 3716
197: ok 3717
197: ok 3718
197: ok 3719
197: ok 3720
197: ok 3721
197: ok 3722
197: ok 3723
197: ok 3724
197: ok 3725
197: ok 3726
197: ok 3727
197: ok 3728
197: ok 3729
197: ok 3730
197: ok 3731
197: ok 3732
197: ok 3733
197: ok 3734
197: ok 3735
197: ok 3736
197: ok 3737
197: ok 3738
197: ok 3739
197: ok 3740
197: ok 3741
197: ok 3742
197: ok 3743
197: ok 3744
197: ok 3745
197: ok 3746
197: ok 3747
197: ok 3748
197: ok 3749
197: ok 3750
197: ok 3751
197: ok 3752
197: ok 3753
197: ok 3754
197: ok 3755
197: ok 3756
197: ok 3757
197: ok 3758
197: ok 3759
197: ok 3760
197: ok 3761
197: ok 3762
197: ok 3763
197: ok 3764
197: ok 3765
197: ok 3766
197: ok 3767
197: ok 3768
197: ok 3769
197: ok 3770
197: ok 3771
197: ok 3772
197: ok 3773
197: ok 3774
197: ok 3775
197: ok 3776
197: ok 3777
197: ok 3778
197: ok 3779
197: ok 3780
197: ok 3781
197: ok 3782
197: ok 3783
197: ok 3784
197: ok 3785
197: ok 3786
197: ok 3787
197: ok 3788
197: ok 3789
197: ok 3790
197: ok 3791
197: ok 3792
197: ok 3793
197: ok 3794
197: ok 3795
197: ok 3796
197: ok 3797
197: ok 3798
197: ok 3799
197: ok 3800
197: ok 3801
197: ok 3802
197: ok 3803
197: ok 3804
197: ok 3805
197: ok 3806
197: ok 3807
197: ok 3808
197: ok 3809
197: ok 3810
197: ok 3811
197: ok 3812
197: ok 3813
197: ok 3814
197: ok 3815
197: ok 3816
197: ok 3817
197: ok 3818
197: ok 3819
197: ok 3820
197: ok 3821
197: ok 3822
197: ok 3823
197: ok 3824
197: ok 3825
197: ok 3826
197: ok 3827
197: ok 3828
197: ok 3829
197: ok 3830
197: ok 3831
197: ok 3832
197: ok 3833
197: ok 3834
197: ok 3835
197: ok 3836
197: ok 3837
197: ok 3838
197: ok 3839
197: ok 3840
197: ok 3841
197: ok 3842
197: ok 3843
197: ok 3844
197: ok 3845
197: ok 3846
197: ok 3847
197: ok 3848
197: ok 3849
197: ok 3850
197: ok 3851
197: ok 3852
197: ok 3853
197: ok 3854
197: ok 3855
197: ok 3856
197: ok 3857
197: ok 3858
197: ok 3859
197: ok 3860
197: ok 3861
197: ok 3862
197: ok 3863
197: ok 3864
197: ok 3865
197: ok 3866
197: ok 3867
197: ok 3868
197: ok 3869
197: ok 3870
197: ok 3871
197: ok 3872
197: ok 3873
197: ok 3874
197: ok 3875
197: ok 3876
197: ok 3877
197: ok 3878
197: ok 3879
197: ok 3880
197: ok 3881
197: ok 3882
197: ok 3883
197: ok 3884
197: ok 3885
197: ok 3886
197: ok 3887
197: ok 3888
197: ok 3889
197: ok 3890
197: ok 3891
197: ok 3892
197: ok 3893
197: ok 3894
197: ok 3895
197: ok 3896
197: ok 3897
197: ok 3898
197: ok 3899
197: ok 3900
197: ok 3901
197: ok 3902
197: ok 3903
197: ok 3904
197: ok 3905
197: ok 3906
197: ok 3907
197: ok 3908
197: ok 3909
197: ok 3910
197: ok 3911
197: ok 3912
197: ok 3913
197: ok 3914
197: ok 3915
197: ok 3916
197: ok 3917
197: ok 3918
197: ok 3919
197: ok 3920
197: ok 3921
197: ok 3922
197: ok 3923
197: ok 3924
197: ok 3925
197: ok 3926
197: ok 3927
197: ok 3928
197: ok 3929
197: ok 3930
197: ok 3931
197: ok 3932
197: ok 3933
197: ok 3934
197: ok 3935
197: ok 3936
197: ok 3937
197: ok 3938
197: ok 3939
197: ok 3940
197: ok 3941
197: ok 3942
197: ok 3943
197: ok 3944
197: ok 3945
197: ok 3946
197: ok 3947
197: ok 3948
197: ok 3949
197: ok 3950
197: ok 3951
197: ok 3952
197: ok 3953
197: ok 3954
197: ok 3955
197: ok 3956
197: ok 3957
197: ok 3958
197: ok 3959
197: ok 3960
197: ok 3961
197: ok 3962
197: ok 3963
197: ok 3964
197: ok 3965
197: ok 3966
197: ok 3967
197: ok 3968
197: ok 3969
197: ok 3970
197: ok 3971
197: ok 3972
197: ok 3973
197: ok 3974
197: ok 3975
197: ok 3976
197: ok 3977
197: ok 3978
197: ok 3979
197: ok 3980
197: ok 3981
197: ok 3982
197: ok 3983
197: ok 3984
197: ok 3985
197: ok 3986
197: ok 3987
197: ok 3988
197: ok 3989
197: ok 3990
197: ok 3991
197: ok 3992
197: ok 3993
197: ok 3994
197: ok 3995
197: ok 3996
197: ok 3997
197: ok 3998
197: ok 3999
197: ok 4000
197: ok 4001
197: ok 4002
197: ok 4003
197: ok 4004
197: ok 4005
197: ok 4006
197: ok 4007
197: ok 4008
197: ok 4009
197: ok 4010
197: ok 4011
197: ok 4012
197: ok 4013
197: ok 4014
197: ok 4015
197: ok 4016
197: ok 4017
197: ok 4018
197: ok 4019
197: ok 4020
197: ok 4021
197: ok 4022
197: ok 4023
197: ok 4024
197: ok 4025
197: ok 4026
197: ok 4027
197: ok 4028
197: ok 4029
197: ok 4030
197: ok 4031
197: ok 4032
197: ok 4033
197: ok 4034
197: ok 4035
197: ok 4036
197: ok 4037
197: ok 4038
197: ok 4039
197: ok 4040
197: ok 4041
197: ok 4042
197: ok 4043
197: ok 4044
197: ok 4045
197: ok 4046
197: ok 4047
197: ok 4048
197: ok 4049
197: ok 4050
197: ok 4051
197: ok 4052
197: ok 4053
197: ok 4054
197: ok 4055
197: ok 4056
197: ok 4057
197: ok 4058
197: ok 4059
197: ok 4060
197: ok 4061
197: ok 4062
197: ok 4063
197: ok 4064
197: ok 4065
197: ok 4066
197: ok 4067
197: ok 4068
197: ok 4069
197: ok 4070
197: ok 4071
197: ok 4072
197: ok 4073
197: ok 4074
197: ok 4075
197: ok 4076
197: ok 4077
197: ok 4078
197: ok 4079
197: ok 4080
197: ok 4081
197: ok 4082
197: ok 4083
197: ok 4084
197: ok 4085
197: ok 4086
197: ok 4087
197: ok 4088
197: ok 4089
197: ok 4090
197: ok 4091
197: ok 4092
197: ok 4093
197: ok 4094
197: ok 4095
197: ok 4096
197: ok 4097
197: ok 4098
197: ok 4099
197: ok 4100
197: ok 4101
197: ok 4102
197: ok 4103
197: ok 4104
197: ok 4105
197: ok 4106
197: ok 4107
197: ok 4108
197: ok 4109
197: ok 4110
197: ok 4111
197: ok 4112
197: ok 4113
197: ok 4114
197: ok 4115
197: ok 4116
197: ok 4117
197: ok 4118
197: ok 4119
197: ok 4120
197: ok 4121
197: ok 4122
197: ok 4123
197: ok 4124
197: ok 4125
197: ok 4126
197: ok 4127
197: ok 4128
197: ok 4129
197: ok 4130
197: ok 4131
197: ok 4132
197: ok 4133
197: ok 4134
197: ok 4135
197: ok 4136
197: ok 4137
197: ok 4138
197: ok 4139
197: ok 4140
197: ok 4141
197: ok 4142
197: ok 4143
197: ok 4144
197: ok 4145
197: ok 4146
197: ok 4147
197: ok 4148
197: ok 4149
197: ok 4150
197: ok 4151
197: ok 4152
197: ok 4153
197: ok 4154
197: ok 4155
197: ok 4156
197: ok 4157
197: ok 4158
197: ok 4159
197: ok 4160
197: ok 4161
197: ok 4162
197: ok 4163
197: ok 4164
197: ok 4165
197: ok 4166
197: ok 4167
197: ok 4168
197: ok 4169
197: ok 4170
197: ok 4171
197: ok 4172
197: ok 4173
197: ok 4174
197: ok 4175
197: ok 4176
197: ok 4177
197: ok 4178
197: ok 4179
197: ok 4180
197: ok 4181
197: ok 4182
197: ok 4183
197: ok 4184
197: ok 4185
197: ok 4186
197: ok 4187
197: ok 4188
197: ok 4189
197: ok 4190
197: ok 4191
197: ok 4192
197: ok 4193
197: ok 4194
197: ok 4195
197: ok 4196
197: ok 4197
197: ok 4198
197: ok 4199
197: ok 4200
197: ok 4201
197: ok 4202
197: ok 4203
197: ok 4204
197: ok 4205
197: ok 4206
197: ok 4207
197: ok 4208
197: ok 4209
197: ok 4210
197: ok 4211
197: ok 4212
197: ok 4213
197: ok 4214
197: ok 4215
197: ok 4216
197: ok 4217
197: ok 4218
197: ok 4219
197: ok 4220
197: ok 4221
197: ok 4222
197: ok 4223
197: ok 4224
197: ok 4225
197: ok 4226
197: ok 4227
197: ok 4228
197: ok 4229
197: ok 4230
197: ok 4231
197: ok 4232
197: ok 4233
197: ok 4234
197: ok 4235
197: ok 4236
197: ok 4237
197: ok 4238
197: ok 4239
197: ok 4240
197: ok 4241
197: ok 4242
197: ok 4243
197: ok 4244
197: ok 4245
197: ok 4246
197: ok 4247
197: ok 4248
197: ok 4249
197: ok 4250
197: ok 4251
197: ok 4252
197: ok 4253
197: ok 4254
197: ok 4255
197: ok 4256
197: ok 4257
197: ok 4258
197: ok 4259
197: ok 4260
197: ok 4261
197: ok 4262
197: ok 4263
197: ok 4264
197: ok 4265
197: ok 4266
197: ok 4267
197: ok 4268
197: ok 4269
197: ok 4270
197: ok 4271
197: ok 4272
197: ok 4273
197: ok 4274
197: ok 4275
197: ok 4276
197: ok 4277
197: ok 4278
197: ok 4279
197: ok 4280
197: ok 4281
197: ok 4282
197: ok 4283
197: ok 4284
197: ok 4285
197: ok 4286
197: ok 4287
197: ok 4288
197: ok 4289
197: ok 4290
197: ok 4291
197: ok 4292
197: ok 4293
197: ok 4294
197: ok 4295
197: ok 4296
197: ok 4297
197: ok 4298
197: ok 4299
197: ok 4300
197: ok 4301
197: ok 4302
197: ok 4303
197: ok 4304
197: ok 4305
197: ok 4306
197: ok 4307
197: ok 4308
197: ok 4309
197: ok 4310
197: ok 4311
197: ok 4312
197: ok 4313
197: ok 4314
197: ok 4315
197: ok 4316
197: ok 4317
197: ok 4318
197: ok 4319
197: ok 4320
197: ok 4321
197: ok 4322
197: ok 4323
197: ok 4324
197: ok 4325
197: ok 4326
197: ok 4327
197: ok 4328
197: ok 4329
197: ok 4330
197: ok 4331
197: ok 4332
197: ok 4333
197: ok 4334
197: ok 4335
197: ok 4336
197: ok 4337
197: ok 4338
197: ok 4339
197: ok 4340
197: ok 4341
197: ok 4342
197: ok 4343
197: ok 4344
197: ok 4345
197: ok 4346
197: ok 4347
197: ok 4348
197: ok 4349
197: ok 4350
197: ok 4351
197: ok 4352
197: ok 4353
197: ok 4354
197: ok 4355
197: ok 4356
197: ok 4357
197: ok 4358
197: ok 4359
197: ok 4360
197: ok 4361
197: ok 4362
197: ok 4363
197: ok 4364
197: ok 4365
197: ok 4366
197: ok 4367
197: ok 4368
197: ok 4369
197: ok 4370
197: ok 4371
197: ok 4372
197: ok 4373
197: ok 4374
197: ok 4375
197: ok 4376
197: ok 4377
197: ok 4378
197: ok 4379
197: ok 4380
197: ok 4381
197: ok 4382
197: ok 4383
197: ok 4384
197: ok 4385
197: ok 4386
197: ok 4387
197: ok 4388
197: ok 4389
197: ok 4390
197: ok 4391
197: ok 4392
197: ok 4393
197: ok 4394
197: ok 4395
197: ok 4396
197: ok 4397
197: ok 4398
197: ok 4399
197: ok 4400
197: ok 4401
197: ok 4402
197: ok 4403
197: ok 4404
197: ok 4405
197: ok 4406
197: ok 4407
197: ok 4408
197: ok 4409
197: ok 4410
197: ok 4411
197: ok 4412
197: ok 4413
197: ok 4414
197: ok 4415
197: ok 4416
197: ok 4417
197: ok 4418
197: ok 4419
197: ok 4420
197: ok 4421
197: ok 4422
197: ok 4423
197: ok 4424
197: ok 4425
197: ok 4426
197: ok 4427
197: ok 4428
197: ok 4429
197: ok 4430
197: ok 4431
197: ok 4432
197: ok 4433
197: ok 4434
197: ok 4435
197: ok 4436
197: ok 4437
197: ok 4438
197: ok 4439
197: ok 4440
197: ok 4441
197: ok 4442
197: ok 4443
197: ok 4444
197: ok 4445
197: ok 4446
197: ok 4447
197: ok 4448
197: ok 4449
197: ok 4450
197: ok 4451
197: ok 4452
197: ok 4453
197: ok 4454
197: ok 4455
197: ok 4456
197: ok 4457
197: ok 4458
197: ok 4459
197: ok 4460
197: ok 4461
197: ok 4462
197: ok 4463
197: ok 4464
197: ok 4465
197: ok 4466
197: ok 4467
197: ok 4468
197: ok 4469
197: ok 4470
197: ok 4471
197: ok 4472
197: ok 4473
197: ok 4474
197: ok 4475
197: ok 4476
197: ok 4477
197: ok 4478
197: ok 4479
197: ok 4480
197: ok 4481
197: ok 4482
197: ok 4483
197: ok 4484
197: ok 4485
197: ok 4486
197: ok 4487
197: ok 4488
197: ok 4489
197: ok 4490
197: ok 4491
197: ok 4492
197: ok 4493
197: ok 4494
197: ok 4495
197: ok 4496
197: ok 4497
197: ok 4498
197: ok 4499
197: ok 4500
197: ok 4501
197: ok 4502
197: ok 4503
197: ok 4504
197: ok 4505
197: ok 4506
197: ok 4507
197: ok 4508
197: ok 4509
197: ok 4510
197: ok 4511
197: ok 4512
197: ok 4513
197: ok 4514
197: ok 4515
197: ok 4516
197: ok 4517
197: ok 4518
197: ok 4519
197: ok 4520
197: ok 4521
197: ok 4522
197: ok 4523
197: ok 4524
197: ok 4525
197: ok 4526
197: ok 4527
197: ok 4528
197: ok 4529
197: ok 4530
197: ok 4531
197: ok 4532
197: ok 4533
197: ok 4534
197: ok 4535
197: ok 4536
197: ok 4537
197: ok 4538
197: ok 4539
197: ok 4540
197: ok 4541
197: ok 4542
197: ok 4543
197: ok 4544
197: ok 4545
197: ok 4546
197: ok 4547
197: ok 4548
197: ok 4549
197: ok 4550
197: ok 4551
197: ok 4552
197: ok 4553
197: ok 4554
197: ok 4555
197: ok 4556
197: ok 4557
197: ok 4558
197: ok 4559
197: ok 4560
197: ok 4561
197: ok 4562
197: ok 4563
197: ok 4564
197: ok 4565
197: ok 4566
197: ok 4567
197: ok 4568
197: ok 4569
197: ok 4570
197: ok 4571
197: ok 4572
197: ok 4573
197: ok 4574
197: ok 4575
197: ok 4576
197: ok 4577
197: ok 4578
197: ok 4579
197: ok 4580
197: ok 4581
197: ok 4582
197: ok 4583
197: ok 4584
197: ok 4585
197: ok 4586
197: ok 4587
197: ok 4588
197: ok 4589
197: ok 4590
197: ok 4591
197: ok 4592
197: ok 4593
197: ok 4594
197: ok 4595
197: ok 4596
197: ok 4597
197: ok 4598
197: ok 4599
197: ok 4600
197: ok 4601
197: ok 4602
197: ok 4603
197: ok 4604
197: ok 4605
197: ok 4606
197: ok 4607
197: ok 4608
197: ok 4609
197: ok 4610
197: ok 4611
197: ok 4612
197: ok 4613
197: ok 4614
197: ok 4615
197: ok 4616
197: ok 4617
197: ok 4618
197: ok 4619
197: ok 4620
197: ok 4621
197: ok 4622
197: ok 4623
197: ok 4624
197: ok 4625
197: ok 4626
197: ok 4627
197: ok 4628
197: ok 4629
197: ok 4630
197: ok 4631
197: ok 4632
197: ok 4633
197: ok 4634
197: ok 4635
197: ok 4636
197: ok 4637
197: ok 4638
197: ok 4639
197: ok 4640
197: ok 4641
197: ok 4642
197: ok 4643
197: ok 4644
197: ok 4645
197: ok 4646
197: ok 4647
197: ok 4648
197: ok 4649
197: ok 4650
197: ok 4651
197: ok 4652
197: ok 4653
197: ok 4654
197: ok 4655
197: ok 4656
197: ok 4657
197: ok 4658
197: ok 4659
197: ok 4660
197: ok 4661
197: ok 4662
197: ok 4663
197: ok 4664
197: ok 4665
197: ok 4666
197: ok 4667
197: ok 4668
197: ok 4669
197: ok 4670
197: ok 4671
197: ok 4672
197: ok 4673
197: ok 4674
197: ok 4675
197: ok 4676
197: ok 4677
197: ok 4678
197: ok 4679
197: ok 4680
197: ok 4681
197: ok 4682
197: ok 4683
197: ok 4684
197: ok 4685
197: ok 4686
197: ok 4687
197: ok 4688
197: ok 4689
197: ok 4690
197: ok 4691
197: ok 4692
197: ok 4693
197: ok 4694
197: ok 4695
197: ok 4696
197: ok 4697
197: ok 4698
197: ok 4699
197: ok 4700
197: ok 4701
197: ok 4702
197: ok 4703
197: ok 4704
197: ok 4705
197: ok 4706
197: ok 4707
197: ok 4708
197: ok 4709
197: ok 4710
197: ok 4711
197: ok 4712
197: ok 4713
197: ok 4714
197: ok 4715
197: ok 4716
197: ok 4717
197: ok 4718
197: ok 4719
197: ok 4720
197: ok 4721
197: ok 4722
197: ok 4723
197: ok 4724
197: ok 4725
197: ok 4726
197: ok 4727
197: ok 4728
197: ok 4729
197: ok 4730
197: ok 4731
197: ok 4732
197: ok 4733
197: ok 4734
197: ok 4735
197: ok 4736
197: ok 4737
197: ok 4738
197: ok 4739
197: ok 4740
197: ok 4741
197: ok 4742
197: ok 4743
197: ok 4744
197: ok 4745
197: ok 4746
197: ok 4747
197: ok 4748
197: ok 4749
197: ok 4750
197: ok 4751
197: ok 4752
197: ok 4753
197: ok 4754
197: ok 4755
197: ok 4756
197: ok 4757
197: ok 4758
197: ok 4759
197: ok 4760
197: ok 4761
197: ok 4762
197: ok 4763
197: ok 4764
197: ok 4765
197: ok 4766
197: ok 4767
197: ok 4768
197: ok 4769
197: ok 4770
197: ok 4771
197: ok 4772
197: ok 4773
197: ok 4774
197: ok 4775
197: ok 4776
197: ok 4777
197: ok 4778
197: ok 4779
197: ok 4780
197: ok 4781
197: ok 4782
197: ok 4783
197: ok 4784
197: ok 4785
197: ok 4786
197: ok 4787
197: ok 4788
197: ok 4789
197: ok 4790
197: ok 4791
197: ok 4792
197: ok 4793
197: ok 4794
197: ok 4795
197: ok 4796
197: ok 4797
197: ok 4798
197: ok 4799
197: ok 4800
197: ok 4801
197: ok 4802
197: ok 4803
197: ok 4804
197: ok 4805
197: ok 4806
197: ok 4807
197: ok 4808
197: ok 4809
197: ok 4810
197: ok 4811
197: ok 4812
197: ok 4813
197: ok 4814
197: ok 4815
197: ok 4816
197: ok 4817
197: ok 4818
197: ok 4819
197: ok 4820
197: ok 4821
197: ok 4822
197: ok 4823
197: ok 4824
197: ok 4825
197: ok 4826
197: ok 4827
197: ok 4828
197: ok 4829
197: ok 4830
197: ok 4831
197: ok 4832
197: ok 4833
197: ok 4834
197: ok 4835
197: ok 4836
197: ok 4837
197: ok 4838
197: ok 4839
197: ok 4840
197: ok 4841
197: ok 4842
197: ok 4843
197: ok 4844
197: ok 4845
197: ok 4846
197: ok 4847
197: ok 4848
197: ok 4849
197: ok 4850
197: ok 4851
197: ok 4852
197: ok 4853
197: ok 4854
197: ok 4855
197: ok 4856
197: ok 4857
197: ok 4858
197: ok 4859
197: ok 4860
197: ok 4861
197: ok 4862
197: ok 4863
197: ok 4864
197: ok 4865
197: ok 4866
197: ok 4867
197: ok 4868
197: ok 4869
197: ok 4870
197: ok 4871
197: ok 4872
197: ok 4873
197: ok 4874
197: ok 4875
197: ok 4876
197: ok 4877
197: ok 4878
197: ok 4879
197: ok 4880
197: ok 4881
197: ok 4882
197: ok 4883
197: ok 4884
197: ok 4885
197: ok 4886
197: ok 4887
197: ok 4888
197: ok 4889
197: ok 4890
197: ok 4891
197: ok 4892
197: ok 4893
197: ok 4894
197: ok 4895
197: ok 4896
197: ok 4897
197: ok 4898
197: ok 4899
197: ok 4900
197: ok 4901
197: ok 4902
197: ok 4903
197: ok 4904
197: ok 4905
197: ok 4906
197: ok 4907
197: ok 4908
197: ok 4909
197: ok 4910
197: ok 4911
197: ok 4912
197: ok 4913
197: ok 4914
197: ok 4915
197: ok 4916
197: ok 4917
197: ok 4918
197: ok 4919
197: ok 4920
197: ok 4921
197: ok 4922
197: ok 4923
197: ok 4924
197: ok 4925
197: ok 4926
197: ok 4927
197: ok 4928
197: ok 4929
197: ok 4930
197: ok 4931
197: ok 4932
197: ok 4933
197: ok 4934
197: ok 4935
197: ok 4936
197: ok 4937
197: ok 4938
197: ok 4939
197: ok 4940
197: ok 4941
197: ok 4942
197: ok 4943
197: ok 4944
197: ok 4945
197: ok 4946
197: ok 4947
197: ok 4948
197: ok 4949
197: ok 4950
197: ok 4951
197: ok 4952
197: ok 4953
197: ok 4954
197: ok 4955
197: ok 4956
197: ok 4957
197: ok 4958
197: ok 4959
197: ok 4960
197: ok 4961
197: ok 4962
197: ok 4963
197: ok 4964
197: ok 4965
197: ok 4966
197: ok 4967
197: ok 4968
197: ok 4969
197: ok 4970
197: ok 4971
197: ok 4972
197: ok 4973
197: ok 4974
197: ok 4975
197: ok 4976
197: ok 4977
197: ok 4978
197: ok 4979
197: ok 4980
197: ok 4981
197: ok 4982
197: ok 4983
197: ok 4984
197: ok 4985
197: ok 4986
197: ok 4987
197: ok 4988
197: ok 4989
197: ok 4990
197: ok 4991
197: ok 4992
197: ok 4993
197: ok 4994
197: ok 4995
197: ok 4996
197: ok 4997
197: ok 4998
197: ok 4999
197: ok 5000
197: ok 5001
197: ok 5002
197: ok 5003
197: ok 5004
197: ok 5005
197: ok 5006
197: ok 5007
197: ok 5008
197: ok 5009
197: ok 5010
197: ok 5011
197: ok 5012
197: ok 5013
197: ok 5014
197: ok 5015
197: ok 5016
197: ok 5017
197: ok 5018
197: ok 5019
197: ok 5020
197: ok 5021
197: ok 5022
197: ok 5023
197: ok 5024
197: ok 5025
197: ok 5026
197: ok 5027
197: ok 5028
197: ok 5029
197: ok 5030
197: ok 5031
197: ok 5032
197: ok 5033
197: ok 5034
197: ok 5035
197: ok 5036
197: ok 5037
197: ok 5038
197: ok 5039
197: ok 5040
197: ok 5041
197: ok 5042
197: ok 5043
197: ok 5044
197: ok 5045
197: ok 5046
197: ok 5047
197: ok 5048
197: ok 5049
197: ok 5050
197: ok 5051
197: ok 5052
197: ok 5053
197: ok 5054
197: ok 5055
197: ok 5056
197: ok 5057
197: ok 5058
197: ok 5059
197: ok 5060
197: ok 5061
197: ok 5062
197: ok 5063
197: ok 5064
197: ok 5065
197: ok 5066
197: ok 5067
197: ok 5068
197: ok 5069
197: ok 5070
197: ok 5071
197: ok 5072
197: ok 5073
197: ok 5074
197: ok 5075
197: ok 5076
197: ok 5077
197: ok 5078
197: ok 5079
197: ok 5080
197: ok 5081
197: ok 5082
197: ok 5083
197: ok 5084
197: ok 5085
197: ok 5086
197: ok 5087
197: ok 5088
197: ok 5089
197: ok 5090
197: ok 5091
197: ok 5092
197: ok 5093
197: ok 5094
197: ok 5095
197: ok 5096
197: ok 5097
197: ok 5098
197: ok 5099
197: ok 5100
197: ok 5101
197: ok 5102
197: ok 5103
197: ok 5104
197: ok 5105
197: ok 5106
197: ok 5107
197: ok 5108
197: ok 5109
197: ok 5110
197: ok 5111
197: ok 5112
197: ok 5113
197: ok 5114
197: ok 5115
197: ok 5116
197: ok 5117
197: ok 5118
197: ok 5119
197: ok 5120
197: ok 5121
197: ok 5122
197: ok 5123
197: ok 5124
197: ok 5125
197: ok 5126
197: ok 5127
197: ok 5128
197: ok 5129
197: ok 5130
197: ok 5131
197: ok 5132
197: ok 5133
197: ok 5134
197: ok 5135
197: ok 5136
197: ok 5137
197: ok 5138
197: ok 5139
197: ok 5140
197: ok 5141
197: ok 5142
197: ok 5143
197: ok 5144
197: ok 5145
197: ok 5146
197: ok 5147
197: ok 5148
197: ok 5149
197: ok 5150
197: ok 5151
197: ok 5152
197: ok 5153
197: ok 5154
197: ok 5155
197: ok 5156
197: ok 5157
197: ok 5158
197: ok 5159
197: ok 5160
197: ok 5161
197: ok 5162
197: ok 5163
197: ok 5164
197: ok 5165
197: ok 5166
197: ok 5167
197: ok 5168
197: ok 5169
197: ok 5170
197: ok 5171
197: ok 5172
197: ok 5173
197: ok 5174
197: ok 5175
197: ok 5176
197: ok 5177
197: ok 5178
197: ok 5179
197: ok 5180
197: ok 5181
197: ok 5182
197: ok 5183
197: ok 5184
197: ok 5185
197: ok 5186
197: ok 5187
197: ok 5188
197: ok 5189
197: ok 5190
197: ok 5191
197: ok 5192
197: ok 5193
197: ok 5194
197: ok 5195
197: ok 5196
197: ok 5197
197: ok 5198
197: ok 5199
197: ok 5200
197: ok 5201
197: ok 5202
197: ok 5203
197: ok 5204
197: ok 5205
197: ok 5206
197: ok 5207
197: ok 5208
197: ok 5209
197: ok 5210
197: ok 5211
197: ok 5212
197: ok 5213
197: ok 5214
197: ok 5215
197: ok 5216
197: ok 5217
197: ok 5218
197: ok 5219
197: ok 5220
197: ok 5221
197: ok 5222
197: ok 5223
197: ok 5224
197: ok 5225
197: ok 5226
197: ok 5227
197: ok 5228
197: ok 5229
197: ok 5230
197: ok 5231
197: ok 5232
197: ok 5233
197: ok 5234
197: ok 5235
197: ok 5236
197: ok 5237
197: ok 5238
197: ok 5239
197: ok 5240
197: ok 5241
197: ok 5242
197: ok 5243
197: ok 5244
197: ok 5245
197: ok 5246
197: ok 5247
197: ok 5248
197: ok 5249
197: ok 5250
197: ok 5251
197: ok 5252
197: ok 5253
197: ok 5254
197: ok 5255
197: ok 5256
197: ok 5257
197: ok 5258
197: ok 5259
197: ok 5260
197: ok 5261
197: ok 5262
197: ok 5263
197: ok 5264
197: ok 5265
197: ok 5266
197: ok 5267
197: ok 5268
197: ok 5269
197: ok 5270
197: ok 5271
197: ok 5272
197: ok 5273
197: ok 5274
197: ok 5275
197: ok 5276
197: ok 5277
197: ok 5278
197: ok 5279
197: ok 5280
197: ok 5281
197: ok 5282
197: ok 5283
197: ok 5284
197: ok 5285
197: ok 5286
197: ok 5287
197: ok 5288
197: ok 5289
197: ok 5290
197: ok 5291
197: ok 5292
197: ok 5293
197: ok 5294
197: ok 5295
197: ok 5296
197: ok 5297
197: ok 5298
197: ok 5299
197: ok 5300
197: ok 5301
197: ok 5302
197: ok 5303
197: ok 5304
197: ok 5305
197: ok 5306
197: ok 5307
197: ok 5308
197: ok 5309
197: ok 5310
197: ok 5311
197: ok 5312
197: ok 5313
197: ok 5314
197: ok 5315
197: ok 5316
197: ok 5317
197: ok 5318
197: ok 5319
197: ok 5320
197: ok 5321
197: ok 5322
197: ok 5323
197: ok 5324
197: ok 5325
197: ok 5326
197: ok 5327
197: ok 5328
197: ok 5329
197: ok 5330
197: ok 5331
197: ok 5332
197: ok 5333
197: ok 5334
197: ok 5335
197: ok 5336
197: ok 5337
197: ok 5338
197: ok 5339
197: ok 5340
197: ok 5341
197: ok 5342
197: ok 5343
197: ok 5344
197: ok 5345
197: ok 5346
197: ok 5347
197: ok 5348
197: ok 5349
197: ok 5350
197: ok 5351
197: ok 5352
197: ok 5353
197: ok 5354
197: ok 5355
197: ok 5356
197: ok 5357
197: ok 5358
197: ok 5359
197: ok 5360
197: ok 5361
197: ok 5362
197: ok 5363
197: ok 5364
197: ok 5365
197: ok 5366
197: ok 5367
197: ok 5368
197: ok 5369
197: ok 5370
197: ok 5371
197: ok 5372
197: ok 5373
197: ok 5374
197: ok 5375
197: ok 5376
197: ok 5377
197: ok 5378
197: ok 5379
197: ok 5380
197: ok 5381
197: ok 5382
197: ok 5383
197: ok 5384
197: ok 5385
197: ok 5386
197: ok 5387
197: ok 5388
197: ok 5389
197: ok 5390
197: ok 5391
197: ok 5392
197: ok 5393
197: ok 5394
197: ok 5395
197: ok 5396
197: ok 5397
197: ok 5398
197: ok 5399
197: ok 5400
197: ok 5401
197: ok 5402
197: ok 5403
197: ok 5404
197: ok 5405
197: ok 5406
197: ok 5407
197: ok 5408
197: ok 5409
197: ok 5410
197: ok 5411
197: ok 5412
197: ok 5413
197: ok 5414
197: ok 5415
197: ok 5416
197: ok 5417
197: ok 5418
197: ok 5419
197: ok 5420
197: ok 5421
197: ok 5422
197: ok 5423
197: ok 5424
197: ok 5425
197: ok 5426
197: ok 5427
197: ok 5428
197: ok 5429
197: ok 5430
197: ok 5431
197: ok 5432
197: ok 5433
197: ok 5434
197: ok 5435
197: ok 5436
197: ok 5437
197: ok 5438
197: ok 5439
197: ok 5440
197: ok 5441
197: ok 5442
197: ok 5443
197: ok 5444
197: ok 5445
197: ok 5446
197: ok 5447
197: ok 5448
197: ok 5449
197: ok 5450
197: ok 5451
197: ok 5452
197: ok 5453
197: ok 5454
197: ok 5455
197: ok 5456
197: ok 5457
197: ok 5458
197: ok 5459
197: ok 5460
197: ok 5461
197: ok 5462
197: ok 5463
197: ok 5464
197: ok 5465
197: ok 5466
197: ok 5467
197: ok 5468
197: ok 5469
197: ok 5470
197: ok 5471
197: ok 5472
197: ok 5473
197: ok 5474
197: ok 5475
197: ok 5476
197: ok 5477
197: ok 5478
197: ok 5479
197: ok 5480
197: ok 5481
197: ok 5482
197: ok 5483
197: ok 5484
197: ok 5485
197: ok 5486
197: ok 5487
197: ok 5488
197: ok 5489
197: ok 5490
197: ok 5491
197: ok 5492
197: ok 5493
197: ok 5494
197: ok 5495
197: ok 5496
197: ok 5497
197: ok 5498
197: ok 5499
197: ok 5500
197: ok 5501
197: ok 5502
197: ok 5503
197: ok 5504
197: ok 5505
197: ok 5506
197: ok 5507
197: ok 5508
197: ok 5509
197: ok 5510
197: ok 5511
197: ok 5512
197: ok 5513
197: ok 5514
197: ok 5515
197: ok 5516
197: ok 5517
197: ok 5518
197: ok 5519
197: ok 5520
197: ok 5521
197: ok 5522
197: ok 5523
197: ok 5524
197: ok 5525
197: ok 5526
197: ok 5527
197: ok 5528
197: ok 5529
197: ok 5530
197: ok 5531
197: ok 5532
197: ok 5533
197: ok 5534
197: ok 5535
197: ok 5536
197: ok 5537
197: ok 5538
197: ok 5539
197: ok 5540
197: ok 5541
197: ok 5542
197: ok 5543
197: ok 5544
197: ok 5545
197: ok 5546
197: ok 5547
197: ok 5548
197: ok 5549
197: ok 5550
197: ok 5551
197: ok 5552
197: ok 5553
197: ok 5554
197: ok 5555
197: ok 5556
197: ok 5557
197: ok 5558
197: ok 5559
197: ok 5560
197: ok 5561
197: ok 5562
197: ok 5563
197: ok 5564
197: ok 5565
197: ok 5566
197: ok 5567
197: ok 5568
197: ok 5569
197: ok 5570
197: ok 5571
197: ok 5572
197: ok 5573
197: ok 5574
197: ok 5575
197: ok 5576
197: ok 5577
197: ok 5578
197: ok 5579
197: ok 5580
197: ok 5581
197: ok 5582
197: ok 5583
197: ok 5584
197: ok 5585
197: ok 5586
197: ok 5587
197: ok 5588
197: ok 5589
197: ok 5590
197: ok 5591
197: ok 5592
197: ok 5593
197: ok 5594
197: ok 5595
197: ok 5596
197: ok 5597
197: ok 5598
197: ok 5599
197: ok 5600
197: ok 5601
197: ok 5602
197: ok 5603
197: ok 5604
197: ok 5605
197: ok 5606
197: ok 5607
197: ok 5608
197: ok 5609
197: ok 5610
197: ok 5611
197: ok 5612
197: ok 5613
197: ok 5614
197: ok 5615
197: ok 5616
197: ok 5617
197: ok 5618
197: ok 5619
197: ok 5620
197: ok 5621
197: ok 5622
197: ok 5623
197: ok 5624
197: ok 5625
197: ok 5626
197: ok 5627
197: ok 5628
197: ok 5629
197: ok 5630
197: ok 5631
197: ok 5632
197: ok 5633
197: ok 5634
197: ok 5635
197: ok 5636
197: ok 5637
197: ok 5638
197: ok 5639
197: ok 5640
197: ok 5641
197: ok 5642
197: ok 5643
197: ok 5644
197: ok 5645
197: ok 5646
197: ok 5647
197: ok 5648
197: ok 5649
197: ok 5650
197: ok 5651
197: ok 5652
197: ok 5653
197: ok 5654
197: ok 5655
197: ok 5656
197: ok 5657
197: ok 5658
197: ok 5659
197: ok 5660
197: ok 5661
197: ok 5662
197: ok 5663
197: ok 5664
197: ok 5665
197: ok 5666
197: ok 5667
197: ok 5668
197: ok 5669
197: ok 5670
197: ok 5671
197: ok 5672
197: ok 5673
197: ok 5674
197: ok 5675
197: ok 5676
197: ok 5677
197: ok 5678
197: ok 5679
197: ok 5680
197: ok 5681
197: ok 5682
197: ok 5683
197: ok 5684
197: ok 5685
197: ok 5686
197: ok 5687
197: ok 5688
197: ok 5689
197: ok 5690
197: ok 5691
197: ok 5692
197: ok 5693
197: ok 5694
197: ok 5695
197: ok 5696
197: ok 5697
197: ok 5698
197: ok 5699
197: ok 5700
197: ok 5701
197: ok 5702
197: ok 5703
197: ok 5704
197: ok 5705
197: ok 5706
197: ok 5707
197: ok 5708
197: ok 5709
197: ok 5710
197: ok 5711
197: ok 5712
197: ok 5713
197: ok 5714
197: ok 5715
197: ok 5716
197: ok 5717
197: ok 5718
197: ok 5719
197: ok 5720
197: ok 5721
197: ok 5722
197: ok 5723
197: ok 5724
197: ok 5725
197: ok 5726
197: ok 5727
197: ok 5728
197: ok 5729
197: ok 5730
197: ok 5731
197: ok 5732
197: ok 5733
197: ok 5734
197: ok 5735
197: ok 5736
197: ok 5737
197: ok 5738
197: ok 5739
197: ok 5740
197: ok 5741
197: ok 5742
197: ok 5743
197: ok 5744
197: ok 5745
197: ok 5746
197: ok 5747
197: ok 5748
197: ok 5749
197: ok 5750
197: ok 5751
197: ok 5752
197: ok 5753
197: ok 5754
197: ok 5755
197: ok 5756
197: ok 5757
197: ok 5758
197: ok 5759
197: ok 5760
197: ok 5761
197: ok 5762
197: ok 5763
197: ok 5764
197: ok 5765
197: ok 5766
197: ok 5767
197: ok 5768
197: ok 5769
197: ok 5770
197: ok 5771
197: ok 5772
197: ok 5773
197: ok 5774
197: ok 5775
197: ok 5776
197: ok 5777
197: ok 5778
197: ok 5779
197: ok 5780
197: ok 5781
197: ok 5782
197: ok 5783
197: ok 5784
197: ok 5785
197: ok 5786
197: ok 5787
197: ok 5788
197: ok 5789
197: ok 5790
197: ok 5791
197: ok 5792
197: ok 5793
197: ok 5794
197: ok 5795
197: ok 5796
197: ok 5797
197: ok 5798
197: ok 5799
197: ok 5800
197: ok 5801
197: ok 5802
197: ok 5803
197: ok 5804
197: ok 5805
197: ok 5806
197: ok 5807
197: ok 5808
197: ok 5809
197: ok 5810
197: ok 5811
197: ok 5812
197: ok 5813
197: ok 5814
197: ok 5815
197: ok 5816
197: ok 5817
197: ok 5818
197: ok 5819
197: ok 5820
197: ok 5821
197: ok 5822
197: ok 5823
197: ok 5824
197: ok 5825
197: ok 5826
197: ok 5827
197: ok 5828
197: ok 5829
197: ok 5830
197: ok 5831
197: ok 5832
197: ok 5833
197: ok 5834
197: ok 5835
197: ok 5836
197: ok 5837
197: ok 5838
197: ok 5839
197: ok 5840
197: ok 5841
197: ok 5842
197: ok 5843
197: ok 5844
197: ok 5845
197: ok 5846
197: ok 5847
197: ok 5848
197: ok 5849
197: ok 5850
197: ok 5851
197: ok 5852
197: ok 5853
197: ok 5854
197: ok 5855
197: ok 5856
197: ok 5857
197: ok 5858
197: ok 5859
197: ok 5860
197: ok 5861
197: ok 5862
197: ok 5863
197: ok 5864
197: ok 5865
197: ok 5866
197: ok 5867
197: ok 5868
197: ok 5869
197: ok 5870
197: ok 5871
197: ok 5872
197: ok 5873
197: ok 5874
197: ok 5875
197: ok 5876
197: ok 5877
197: ok 5878
197: ok 5879
197: ok 5880
197: ok 5881
197: ok 5882
197: ok 5883
197: ok 5884
197: ok 5885
197: ok 5886
197: ok 5887
197: ok 5888
197: ok 5889
197: ok 5890
197: ok 5891
197: ok 5892
197: ok 5893
197: ok 5894
197: ok 5895
197: ok 5896
197: ok 5897
197: ok 5898
197: ok 5899
197: ok 5900
197: ok 5901
197: ok 5902
197: ok 5903
197: ok 5904
197: ok 5905
197: ok 5906
197: ok 5907
197: ok 5908
197: ok 5909
197: ok 5910
197: ok 5911
197: ok 5912
197: ok 5913
197: ok 5914
197: ok 5915
197: ok 5916
197: ok 5917
197: ok 5918
197: ok 5919
197: ok 5920
197: ok 5921
197: ok 5922
197: ok 5923
197: ok 5924
197: ok 5925
197: ok 5926
197: ok 5927
197: ok 5928
197: ok 5929
197: ok 5930
197: ok 5931
197: ok 5932
197: ok 5933
197: ok 5934
197: ok 5935
197: ok 5936
197: ok 5937
197: ok 5938
197: ok 5939
197: ok 5940
197: ok 5941
197: ok 5942
197: ok 5943
197: ok 5944
197: ok 5945
197: ok 5946
197: ok 5947
197: ok 5948
197: ok 5949
197: ok 5950
197: ok 5951
197: ok 5952
197: ok 5953
197: ok 5954
197: ok 5955
197: ok 5956
197: ok 5957
197: ok 5958
197: ok 5959
197: ok 5960
197: ok 5961
197: ok 5962
197: ok 5963
197: ok 5964
197: ok 5965
197: ok 5966
197: ok 5967
197: ok 5968
197: ok 5969
197: ok 5970
197: ok 5971
197: ok 5972
197: ok 5973
197: ok 5974
197: ok 5975
197: ok 5976
197: ok 5977
197: ok 5978
197: ok 5979
197: ok 5980
197: ok 5981
197: ok 5982
197: ok 5983
197: ok 5984
197: ok 5985
197: ok 5986
197: ok 5987
197: ok 5988
197: ok 5989
197: ok 5990
197: ok 5991
197: ok 5992
197: ok 5993
197: ok 5994
197: ok 5995
197: ok 5996
197: ok 5997
197: ok 5998
197: ok 5999
197: ok 6000
197: ok 6001
197: ok 6002
197: ok 6003
197: ok 6004
197: ok 6005
197: ok 6006
197: ok 6007
197: ok 6008
197: ok 6009
197: ok 6010
197: ok 6011
197: ok 6012
197: ok 6013
197: ok 6014
197: ok 6015
197: ok 6016
197: ok 6017
197: ok 6018
197: ok 6019
197: ok 6020
197: ok 6021
197: ok 6022
197: ok 6023
197: ok 6024
197: ok 6025
197: ok 6026
197: ok 6027
197: ok 6028
197: ok 6029
197: ok 6030
197: ok 6031
197: ok 6032
197: ok 6033
197: ok 6034
197: ok 6035
197: ok 6036
197: ok 6037
197: ok 6038
197: ok 6039
197: ok 6040
197: ok 6041
197: ok 6042
197: ok 6043
197: ok 6044
197: ok 6045
197: ok 6046
197: ok 6047
197: ok 6048
197: ok 6049
197: ok 6050
197: ok 6051
197: ok 6052
197: ok 6053
197: ok 6054
197: ok 6055
197: ok 6056
197: ok 6057
197: ok 6058
197: ok 6059
197: ok 6060
197: ok 6061
197: ok 6062
197: ok 6063
197: ok 6064
197: ok 6065
197: ok 6066
197: ok 6067
197: ok 6068
197: ok 6069
197: ok 6070
197: ok 6071
197: ok 6072
197: ok 6073
197: ok 6074
197: ok 6075
197: ok 6076
197: ok 6077
197: ok 6078
197: ok 6079
197: ok 6080
197: ok 6081
197: ok 6082
197: ok 6083
197: ok 6084
197: ok 6085
197: ok 6086
197: ok 6087
197: ok 6088
197: ok 6089
197: ok 6090
197: ok 6091
197: ok 6092
197: ok 6093
197: ok 6094
197: ok 6095
197: ok 6096
197: ok 6097
197: ok 6098
197: ok 6099
197: ok 6100
197: ok 6101
197: ok 6102
197: ok 6103
197: ok 6104
197: ok 6105
197: ok 6106
197: ok 6107
197: ok 6108
197: ok 6109
197: ok 6110
197: ok 6111
197: ok 6112
197: ok 6113
197: ok 6114
197: ok 6115
197: ok 6116
197: ok 6117
197: ok 6118
197: ok 6119
197: ok 6120
197: ok 6121
197: ok 6122
197: ok 6123
197: ok 6124
197: ok 6125
197: ok 6126
197: ok 6127
197: ok 6128
197: ok 6129
197: ok 6130
197: ok 6131
197: ok 6132
197: ok 6133
197: ok 6134
197: ok 6135
197: ok 6136
197: ok 6137
197: ok 6138
197: ok 6139
197: ok 6140
197: ok 6141
197: ok 6142
197: ok 6143
197: ok 6144
197: ok 6145
197: ok 6146
197: ok 6147
197: ok 6148
197: ok 6149
197: ok 6150
197: ok 6151
197: ok 6152
197: ok 6153
197: ok 6154
197: ok 6155
197: ok 6156
197: ok 6157
197: ok 6158
197: ok 6159
197: ok 6160
197: ok 6161
197: ok 6162
197: ok 6163
197: ok 6164
197: ok 6165
197: ok 6166
197: ok 6167
197: ok 6168
197: ok 6169
197: ok 6170
197: ok 6171
197: ok 6172
197: ok 6173
197: ok 6174
197: ok 6175
197: ok 6176
197: ok 6177
197: ok 6178
197: ok 6179
197: ok 6180
197: ok 6181
197: ok 6182
197: ok 6183
197: ok 6184
197: ok 6185
197: ok 6186
197: ok 6187
197: ok 6188
197: ok 6189
197: ok 6190
197: ok 6191
197: ok 6192
197: ok 6193
197: ok 6194
197: ok 6195
197: ok 6196
197: ok 6197
197: ok 6198
197: ok 6199
197: ok 6200
197: ok 6201
197: ok 6202
197: ok 6203
197: ok 6204
197: ok 6205
197: ok 6206
197: ok 6207
197: ok 6208
197: ok 6209
197: ok 6210
197: ok 6211
197: ok 6212
197: ok 6213
197: ok 6214
197: ok 6215
197: ok 6216
197: ok 6217
197: ok 6218
197: ok 6219
197: ok 6220
197: ok 6221
197: ok 6222
197: ok 6223
197: ok 6224
197: ok 6225
197: ok 6226
197: ok 6227
197: ok 6228
197: ok 6229
197: ok 6230
197: ok 6231
197: ok 6232
197: ok 6233
197: ok 6234
197: ok 6235
197: ok 6236
197: ok 6237
197: ok 6238
197: ok 6239
197: ok 6240
197: ok 6241
197: ok 6242
197: ok 6243
197: ok 6244
197: ok 6245
197: ok 6246
197: ok 6247
197: ok 6248
197: ok 6249
197: ok 6250
197: ok 6251
197: ok 6252
197: ok 6253
197: ok 6254
197: ok 6255
197: ok 6256
197: ok 6257
197: ok 6258
197: ok 6259
197: ok 6260
197: ok 6261
197: ok 6262
197: ok 6263
197: ok 6264
197: ok 6265
197: ok 6266
197: ok 6267
197: ok 6268
197: ok 6269
197: ok 6270
197: ok 6271
197: ok 6272
197: ok 6273
197: ok 6274
197: ok 6275
197: ok 6276
197: ok 6277
197: ok 6278
197: ok 6279
197: ok 6280
197: ok 6281
197: ok 6282
197: ok 6283
197: ok 6284
197: ok 6285
197: ok 6286
197: ok 6287
197: ok 6288
197: ok 6289
197: ok 6290
197: ok 6291
197: ok 6292
197: ok 6293
197: ok 6294
197: ok 6295
197: ok 6296
197: ok 6297
197: ok 6298
197: ok 6299
197: ok 6300
197: ok 6301
197: ok 6302
197: ok 6303
197: ok 6304
197: ok 6305
197: ok 6306
197: ok 6307
197: ok 6308
197: ok 6309
197: ok 6310
197: ok 6311
197: ok 6312
197: ok 6313
197: ok 6314
197: ok 6315
197: ok 6316
197: ok 6317
197: ok 6318
197: ok 6319
197: ok 6320
197: ok 6321
197: ok 6322
197: ok 6323
197: ok 6324
197: ok 6325
197: ok 6326
197: ok 6327
197: ok 6328
197: ok 6329
197: ok 6330
197: ok 6331
197: ok 6332
197: ok 6333
197: ok 6334
197: ok 6335
197: ok 6336
197: ok 6337
197: ok 6338
197: ok 6339
197: ok 6340
197: ok 6341
197: ok 6342
197: ok 6343
197: ok 6344
197: ok 6345
197: ok 6346
197: ok 6347
197: ok 6348
197: ok 6349
197: ok 6350
197: ok 6351
197: ok 6352
197: ok 6353
197: ok 6354
197: ok 6355
197: ok 6356
197: ok 6357
197: ok 6358
197: ok 6359
197: ok 6360
197: ok 6361
197: ok 6362
197: ok 6363
197: ok 6364
197: ok 6365
197: ok 6366
197: ok 6367
197: ok 6368
197: ok 6369
197: ok 6370
197: ok 6371
197: ok 6372
197: ok 6373
197: ok 6374
197: ok 6375
197: ok 6376
197: ok 6377
197: ok 6378
197: ok 6379
197: ok 6380
197: ok 6381
197: ok 6382
197: ok 6383
197: ok 6384
197: ok 6385
197: ok 6386
197: ok 6387
197: ok 6388
197: ok 6389
197: ok 6390
197: ok 6391
197: ok 6392
197: ok 6393
197: ok 6394
197: ok 6395
197: ok 6396
197: ok 6397
197: ok 6398
197: ok 6399
197: ok 6400
197: ok 6401
197: ok 6402
197: ok 6403
197: ok 6404
197: ok 6405
197: ok 6406
197: ok 6407
197: ok 6408
197: ok 6409
197: ok 6410
197: ok 6411
197: ok 6412
197: ok 6413
197: ok 6414
197: ok 6415
197: ok 6416
197: ok 6417
197: ok 6418
197: ok 6419
197: ok 6420
197: ok 6421
197: ok 6422
197: ok 6423
197: ok 6424
197: ok 6425
197: ok 6426
197: ok 6427
197: ok 6428
197: ok 6429
197: ok 6430
197: ok 6431
197: ok 6432
197: ok 6433
197: ok 6434
197: ok 6435
197: ok 6436
197: ok 6437
197: ok 6438
197: ok 6439
197: ok 6440
197: ok 6441
197: ok 6442
197: ok 6443
197: ok 6444
197: ok 6445
197: ok 6446
197: ok 6447
197: ok 6448
197: ok 6449
197: ok 6450
197: ok 6451
197: ok 6452
197: ok 6453
197: ok 6454
197: ok 6455
197: ok 6456
197: ok 6457
197: ok 6458
197: ok 6459
197: ok 6460
197: ok 6461
197: ok 6462
197: ok 6463
197: ok 6464
197: ok 6465
197: ok 6466
197: ok 6467
197: ok 6468
197: ok 6469
197: ok 6470
197: ok 6471
197: ok 6472
197: ok 6473
197: ok 6474
197: ok 6475
197: ok 6476
197: ok 6477
197: ok 6478
197: ok 6479
197: ok 6480
197: ok 6481
197: ok 6482
197: ok 6483
197: ok 6484
197: ok 6485
197: ok 6486
197: ok 6487
197: ok 6488
197: ok 6489
197: ok 6490
197: ok 6491
197: ok 6492
197: ok 6493
197: ok 6494
197: ok 6495
197: ok 6496
197: ok 6497
197: ok 6498
197: ok 6499
197: ok 6500
197: ok 6501
197: ok 6502
197: ok 6503
197: ok 6504
197: ok 6505
197: ok 6506
197: ok 6507
197: ok 6508
197: ok 6509
197: ok 6510
197: ok 6511
197: ok 6512
197: ok 6513
197: ok 6514
197: ok 6515
197: ok 6516
197: ok 6517
197: ok 6518
197: ok 6519
197: ok 6520
197: ok 6521
197: ok 6522
197: ok 6523
197: ok 6524
197: ok 6525
197: ok 6526
197: ok 6527
197: ok 6528
197: ok 6529
197: ok 6530
197: ok 6531
197: ok 6532
197: ok 6533
197: ok 6534
197: ok 6535
197: ok 6536
197: ok 6537
197: ok 6538
197: ok 6539
197: ok 6540
197: ok 6541
197: ok 6542
197: ok 6543
197: ok 6544
197: ok 6545
197: ok 6546
197: ok 6547
197: ok 6548
197: ok 6549
197: ok 6550
197: ok 6551
197: ok 6552
197: ok 6553
197: ok 6554
197: ok 6555
197: ok 6556
197: ok 6557
197: ok 6558
197: ok 6559
197: ok 6560
197: ok 6561
197: ok 6562
197: ok 6563
197: ok 6564
197: ok 6565
197: ok 6566
197: ok 6567
197: ok 6568
197: ok 6569
197: ok 6570
197: ok 6571
197: ok 6572
197: ok 6573
197: ok 6574
197: ok 6575
197: ok 6576
197: ok 6577
197: ok 6578
197: ok 6579
197: ok 6580
197: ok 6581
197: ok 6582
197: ok 6583
197: ok 6584
197: ok 6585
197: ok 6586
197: ok 6587
197: ok 6588
197: ok 6589
197: ok 6590
197: ok 6591
197: ok 6592
197: ok 6593
197: ok 6594
197: ok 6595
197: ok 6596
197: ok 6597
197: ok 6598
197: ok 6599
197: ok 6600
197: ok 6601
197: ok 6602
197: ok 6603
197: ok 6604
197: ok 6605
197: ok 6606
197: ok 6607
197: ok 6608
197: ok 6609
197: ok 6610
197: ok 6611
197: ok 6612
197: ok 6613
197: ok 6614
197: ok 6615
197: ok 6616
197: ok 6617
197: ok 6618
197: ok 6619
197: ok 6620
197: ok 6621
197: ok 6622
197: ok 6623
197: ok 6624
197: ok 6625
197: ok 6626
197: ok 6627
197: ok 6628
197: ok 6629
197: ok 6630
197: ok 6631
197: ok 6632
197: ok 6633
197: ok 6634
197: ok 6635
197: ok 6636
197: ok 6637
197: ok 6638
197: ok 6639
197: ok 6640
197: ok 6641
197: ok 6642
197: ok 6643
197: ok 6644
197: ok 6645
197: ok 6646
197: ok 6647
197: ok 6648
197: ok 6649
197: ok 6650
197: ok 6651
197: ok 6652
197: ok 6653
197: ok 6654
197: ok 6655
197: ok 6656
197: ok 6657
197: ok 6658
197: ok 6659
197: ok 6660
197: ok 6661
197: ok 6662
197: ok 6663
197: ok 6664
197: ok 6665
197: ok 6666
197: ok 6667
197: ok 6668
197: ok 6669
197: ok 6670
197: ok 6671
197: ok 6672
197: ok 6673
197: ok 6674
197: ok 6675
197: ok 6676
197: ok 6677
197: ok 6678
197: ok 6679
197: ok 6680
197: ok 6681
197: ok 6682
197: ok 6683
197: ok 6684
197: ok 6685
197: ok 6686
197: ok 6687
197: ok 6688
197: ok 6689
197: ok 6690
197: ok 6691
197: ok 6692
197: ok 6693
197: ok 6694
197: ok 6695
197: ok 6696
197: ok 6697
197: ok 6698
197: ok 6699
197: ok 6700
197: ok 6701
197: ok 6702
197: ok 6703
197: ok 6704
197: ok 6705
197: ok 6706
197: ok 6707
197: ok 6708
197: ok 6709
197: ok 6710
197: ok 6711
197: ok 6712
197: ok 6713
197: ok 6714
197: ok 6715
197: ok 6716
197: ok 6717
197: ok 6718
197: ok 6719
197: ok 6720
197: ok 6721
197: ok 6722
197: ok 6723
197: ok 6724
197: ok 6725
197: ok 6726
197: ok 6727
197: ok 6728
197: ok 6729
197: ok 6730
197: ok 6731
197: ok 6732
197: ok 6733
197: ok 6734
197: ok 6735
197: ok 6736
197: ok 6737
197: ok 6738
197: ok 6739
197: ok 6740
197: ok 6741
197: ok 6742
197: ok 6743
197: ok 6744
197: ok 6745
197: ok 6746
197: ok 6747
197: ok 6748
197: ok 6749
197: ok 6750
197: ok 6751
197: ok 6752
197: ok 6753
197: ok 6754
197: ok 6755
197: ok 6756
197: ok 6757
197: ok 6758
197: ok 6759
197: ok 6760
197: ok 6761
197: ok 6762
197: ok 6763
197: ok 6764
197: ok 6765
197: ok 6766
197: ok 6767
197: ok 6768
197: ok 6769
197: ok 6770
197: ok 6771
197: ok 6772
197: ok 6773
197: ok 6774
197: ok 6775
197: ok 6776
197: ok 6777
197: ok 6778
197: ok 6779
197: ok 6780
197: ok 6781
197: ok 6782
197: ok 6783
197: ok 6784
197: ok 6785
197: ok 6786
197: ok 6787
197: ok 6788
197: ok 6789
197: ok 6790
197: ok 6791
197: ok 6792
197: ok 6793
197: ok 6794
197: ok 6795
197: ok 6796
197: ok 6797
197: ok 6798
197: ok 6799
197: ok 6800
197: ok 6801
197: ok 6802
197: ok 6803
197: ok 6804
197: ok 6805
197: ok 6806
197: ok 6807
197: ok 6808
197: ok 6809
197: ok 6810
197: ok 6811
197: ok 6812
197: ok 6813
197: ok 6814
197: ok 6815
197: ok 6816
197: ok 6817
197: ok 6818
197: ok 6819
197: ok 6820
197: ok 6821
197: ok 6822
197: ok 6823
197: ok 6824
197: ok 6825
197: ok 6826
197: ok 6827
197: ok 6828
197: ok 6829
197: ok 6830
197: ok 6831
197: ok 6832
197: ok 6833
197: ok 6834
197: ok 6835
197: ok 6836
197: ok 6837
197: ok 6838
197: ok 6839
197: ok 6840
197: ok 6841
197: ok 6842
197: ok 6843
197: ok 6844
197: ok 6845
197: ok 6846
197: ok 6847
197: ok 6848
197: ok 6849
197: ok 6850
197: ok 6851
197: ok 6852
197: ok 6853
197: ok 6854
197: ok 6855
197: ok 6856
197: ok 6857
197: ok 6858
197: ok 6859
197: ok 6860
197: ok 6861
197: ok 6862
197: ok 6863
197: ok 6864
197: ok 6865
197: ok 6866
197: ok 6867
197: ok 6868
197: ok 6869
197: ok 6870
197: ok 6871
197: ok 6872
197: ok 6873
197: ok 6874
197: ok 6875
197: ok 6876
197: ok 6877
197: ok 6878
197: ok 6879
197: ok 6880
197: ok 6881
197: ok 6882
197: ok 6883
197: ok 6884
197: ok 6885
197: ok 6886
197: ok 6887
197: ok 6888
197: ok 6889
197: ok 6890
197: ok 6891
197: ok 6892
197: ok 6893
197: ok 6894
197: ok 6895
197: ok 6896
197: ok 6897
197: ok 6898
197: ok 6899
197: ok 6900
197: ok 6901
197: ok 6902
197: ok 6903
197: ok 6904
197: ok 6905
197: ok 6906
197: ok 6907
197: ok 6908
197: ok 6909
197: ok 6910
197: ok 6911
197: ok 6912
197: ok 6913
197: ok 6914
197: ok 6915
197: ok 6916
197: ok 6917
197: ok 6918
197: ok 6919
197: ok 6920
197: ok 6921
197: ok 6922
197: ok 6923
197: ok 6924
197: ok 6925
197: ok 6926
197: ok 6927
197: ok 6928
197: ok 6929
197: ok 6930
197: ok 6931
197: ok 6932
197: ok 6933
197: ok 6934
197: ok 6935
197: ok 6936
197: ok 6937
197: ok 6938
197: ok 6939
197: ok 6940
197: ok 6941
197: ok 6942
197: ok 6943
197: ok 6944
197: ok 6945
197: ok 6946
197: ok 6947
197: ok 6948
197: ok 6949
197: ok 6950
197: ok 6951
197: ok 6952
197: ok 6953
197: ok 6954
197: ok 6955
197: ok 6956
197: ok 6957
197: ok 6958
197: ok 6959
197: ok 6960
197: ok 6961
197: ok 6962
197: ok 6963
197: ok 6964
197: ok 6965
197: ok 6966
197: ok 6967
197: ok 6968
197: ok 6969
197: ok 6970
197: ok 6971
197: ok 6972
197: ok 6973
197: ok 6974
197: ok 6975
197: ok 6976
197: ok 6977
197: ok 6978
197: ok 6979
197: ok 6980
197: ok 6981
197: ok 6982
197: ok 6983
197: ok 6984
197: ok 6985
197: ok 6986
197: ok 6987
197: ok 6988
197: ok 6989
197: ok 6990
197: ok 6991
197: ok 6992
197: ok 6993
197: ok 6994
197: ok 6995
197: ok 6996
197: ok 6997
197: ok 6998
197: ok 6999
197: ok 7000
197: # math: passed testEigenvalues
197: # math: entering testEigenvectors
197: ok 7001
197: ok 7002
197: ok 7003
197: ok 7004
197: ok 7005
197: ok 7006
197: ok 7007
197: ok 7008
197: ok 7009
197: ok 7010
197: ok 7011
197: ok 7012
197: ok 7013
197: ok 7014
197: ok 7015
197: ok 7016
197: ok 7017
197: ok 7018
197: ok 7019
197: ok 7020
197: ok 7021
197: ok 7022
197: ok 7023
197: ok 7024
197: ok 7025
197: ok 7026
197: ok 7027
197: ok 7028
197: ok 7029
197: ok 7030
197: ok 7031
197: ok 7032
197: ok 7033
197: ok 7034
197: ok 7035
197: ok 7036
197: ok 7037
197: ok 7038
197: ok 7039
197: ok 7040
197: ok 7041
197: ok 7042
197: ok 7043
197: ok 7044
197: ok 7045
197: ok 7046
197: ok 7047
197: ok 7048
197: ok 7049
197: ok 7050
197: ok 7051
197: ok 7052
197: ok 7053
197: ok 7054
197: ok 7055
197: ok 7056
197: ok 7057
197: ok 7058
197: ok 7059
197: ok 7060
197: ok 7061
197: ok 7062
197: ok 7063
197: ok 7064
197: ok 7065
197: ok 7066
197: ok 7067
197: ok 7068
197: ok 7069
197: ok 7070
197: ok 7071
197: ok 7072
197: ok 7073
197: ok 7074
197: ok 7075
197: ok 7076
197: ok 7077
197: ok 7078
197: ok 7079
197: ok 7080
197: ok 7081
197: ok 7082
197: ok 7083
197: ok 7084
197: ok 7085
197: ok 7086
197: ok 7087
197: ok 7088
197: ok 7089
197: ok 7090
197: ok 7091
197: ok 7092
197: ok 7093
197: ok 7094
197: ok 7095
197: ok 7096
197: ok 7097
197: ok 7098
197: ok 7099
197: ok 7100
197: ok 7101
197: ok 7102
197: ok 7103
197: ok 7104
197: ok 7105
197: ok 7106
197: ok 7107
197: ok 7108
197: ok 7109
197: ok 7110
197: ok 7111
197: ok 7112
197: ok 7113
197: ok 7114
197: ok 7115
197: ok 7116
197: ok 7117
197: ok 7118
197: ok 7119
197: ok 7120
197: ok 7121
197: ok 7122
197: ok 7123
197: ok 7124
197: ok 7125
197: ok 7126
197: ok 7127
197: ok 7128
197: ok 7129
197: ok 7130
197: ok 7131
197: ok 7132
197: ok 7133
197: ok 7134
197: ok 7135
197: ok 7136
197: ok 7137
197: ok 7138
197: ok 7139
197: ok 7140
197: ok 7141
197: ok 7142
197: ok 7143
197: ok 7144
197: ok 7145
197: ok 7146
197: ok 7147
197: ok 7148
197: ok 7149
197: ok 7150
197: ok 7151
197: ok 7152
197: ok 7153
197: ok 7154
197: ok 7155
197: ok 7156
197: ok 7157
197: ok 7158
197: ok 7159
197: ok 7160
197: ok 7161
197: ok 7162
197: ok 7163
197: ok 7164
197: ok 7165
197: ok 7166
197: ok 7167
197: ok 7168
197: ok 7169
197: ok 7170
197: ok 7171
197: ok 7172
197: ok 7173
197: ok 7174
197: ok 7175
197: ok 7176
197: ok 7177
197: ok 7178
197: ok 7179
197: ok 7180
197: ok 7181
197: ok 7182
197: ok 7183
197: ok 7184
197: ok 7185
197: ok 7186
197: ok 7187
197: ok 7188
197: ok 7189
197: ok 7190
197: ok 7191
197: ok 7192
197: ok 7193
197: ok 7194
197: ok 7195
197: ok 7196
197: ok 7197
197: ok 7198
197: ok 7199
197: ok 7200
197: ok 7201
197: ok 7202
197: ok 7203
197: ok 7204
197: ok 7205
197: ok 7206
197: ok 7207
197: ok 7208
197: ok 7209
197: ok 7210
197: ok 7211
197: ok 7212
197: ok 7213
197: ok 7214
197: ok 7215
197: ok 7216
197: ok 7217
197: ok 7218
197: ok 7219
197: ok 7220
197: ok 7221
197: ok 7222
197: ok 7223
197: ok 7224
197: ok 7225
197: ok 7226
197: ok 7227
197: ok 7228
197: ok 7229
197: ok 7230
197: ok 7231
197: ok 7232
197: ok 7233
197: ok 7234
197: ok 7235
197: ok 7236
197: ok 7237
197: ok 7238
197: ok 7239
197: ok 7240
197: ok 7241
197: ok 7242
197: ok 7243
197: ok 7244
197: ok 7245
197: ok 7246
197: ok 7247
197: ok 7248
197: ok 7249
197: ok 7250
197: ok 7251
197: ok 7252
197: ok 7253
197: ok 7254
197: ok 7255
197: ok 7256
197: ok 7257
197: ok 7258
197: ok 7259
197: ok 7260
197: ok 7261
197: ok 7262
197: ok 7263
197: ok 7264
197: ok 7265
197: ok 7266
197: ok 7267
197: ok 7268
197: ok 7269
197: ok 7270
197: ok 7271
197: ok 7272
197: ok 7273
197: ok 7274
197: ok 7275
197: ok 7276
197: ok 7277
197: ok 7278
197: ok 7279
197: ok 7280
197: ok 7281
197: ok 7282
197: ok 7283
197: ok 7284
197: ok 7285
197: ok 7286
197: ok 7287
197: ok 7288
197: ok 7289
197: ok 7290
197: ok 7291
197: ok 7292
197: ok 7293
197: ok 7294
197: ok 7295
197: ok 7296
197: ok 7297
197: ok 7298
197: ok 7299
197: ok 7300
197: ok 7301
197: ok 7302
197: ok 7303
197: ok 7304
197: ok 7305
197: ok 7306
197: ok 7307
197: ok 7308
197: ok 7309
197: ok 7310
197: ok 7311
197: ok 7312
197: ok 7313
197: ok 7314
197: ok 7315
197: ok 7316
197: ok 7317
197: ok 7318
197: ok 7319
197: ok 7320
197: ok 7321
197: ok 7322
197: ok 7323
197: ok 7324
197: ok 7325
197: ok 7326
197: ok 7327
197: ok 7328
197: ok 7329
197: ok 7330
197: ok 7331
197: ok 7332
197: ok 7333
197: ok 7334
197: ok 7335
197: ok 7336
197: ok 7337
197: ok 7338
197: ok 7339
197: ok 7340
197: ok 7341
197: ok 7342
197: ok 7343
197: ok 7344
197: ok 7345
197: ok 7346
197: ok 7347
197: ok 7348
197: ok 7349
197: ok 7350
197: ok 7351
197: ok 7352
197: ok 7353
197: ok 7354
197: ok 7355
197: ok 7356
197: ok 7357
197: ok 7358
197: ok 7359
197: ok 7360
197: ok 7361
197: ok 7362
197: ok 7363
197: ok 7364
197: ok 7365
197: ok 7366
197: ok 7367
197: ok 7368
197: ok 7369
197: ok 7370
197: ok 7371
197: ok 7372
197: ok 7373
197: ok 7374
197: ok 7375
197: ok 7376
197: ok 7377
197: ok 7378
197: ok 7379
197: ok 7380
197: ok 7381
197: ok 7382
197: ok 7383
197: ok 7384
197: ok 7385
197: ok 7386
197: ok 7387
197: ok 7388
197: ok 7389
197: ok 7390
197: ok 7391
197: ok 7392
197: ok 7393
197: ok 7394
197: ok 7395
197: ok 7396
197: ok 7397
197: ok 7398
197: ok 7399
197: ok 7400
197: ok 7401
197: ok 7402
197: ok 7403
197: ok 7404
197: ok 7405
197: ok 7406
197: ok 7407
197: ok 7408
197: ok 7409
197: ok 7410
197: ok 7411
197: ok 7412
197: ok 7413
197: ok 7414
197: ok 7415
197: ok 7416
197: ok 7417
197: ok 7418
197: ok 7419
197: ok 7420
197: ok 7421
197: ok 7422
197: ok 7423
197: ok 7424
197: ok 7425
197: ok 7426
197: ok 7427
197: ok 7428
197: ok 7429
197: ok 7430
197: ok 7431
197: ok 7432
197: ok 7433
197: ok 7434
197: ok 7435
197: ok 7436
197: ok 7437
197: ok 7438
197: ok 7439
197: ok 7440
197: ok 7441
197: ok 7442
197: ok 7443
197: ok 7444
197: ok 7445
197: ok 7446
197: ok 7447
197: ok 7448
197: ok 7449
197: ok 7450
197: ok 7451
197: ok 7452
197: ok 7453
197: ok 7454
197: ok 7455
197: ok 7456
197: ok 7457
197: ok 7458
197: ok 7459
197: ok 7460
197: ok 7461
197: ok 7462
197: ok 7463
197: ok 7464
197: ok 7465
197: ok 7466
197: ok 7467
197: ok 7468
197: ok 7469
197: ok 7470
197: ok 7471
197: ok 7472
197: ok 7473
197: ok 7474
197: ok 7475
197: ok 7476
197: ok 7477
197: ok 7478
197: ok 7479
197: ok 7480
197: ok 7481
197: ok 7482
197: ok 7483
197: ok 7484
197: ok 7485
197: ok 7486
197: ok 7487
197: ok 7488
197: ok 7489
197: ok 7490
197: ok 7491
197: ok 7492
197: ok 7493
197: ok 7494
197: ok 7495
197: ok 7496
197: ok 7497
197: ok 7498
197: ok 7499
197: ok 7500
197: ok 7501
197: ok 7502
197: ok 7503
197: ok 7504
197: ok 7505
197: ok 7506
197: ok 7507
197: ok 7508
197: ok 7509
197: ok 7510
197: ok 7511
197: ok 7512
197: ok 7513
197: ok 7514
197: ok 7515
197: ok 7516
197: ok 7517
197: ok 7518
197: ok 7519
197: ok 7520
197: ok 7521
197: ok 7522
197: ok 7523
197: ok 7524
197: ok 7525
197: ok 7526
197: ok 7527
197: ok 7528
197: ok 7529
197: ok 7530
197: ok 7531
197: ok 7532
197: ok 7533
197: ok 7534
197: ok 7535
197: ok 7536
197: ok 7537
197: ok 7538
197: ok 7539
197: ok 7540
197: ok 7541
197: ok 7542
197: ok 7543
197: ok 7544
197: ok 7545
197: ok 7546
197: ok 7547
197: ok 7548
197: ok 7549
197: ok 7550
197: ok 7551
197: ok 7552
197: ok 7553
197: ok 7554
197: ok 7555
197: ok 7556
197: ok 7557
197: ok 7558
197: ok 7559
197: ok 7560
197: ok 7561
197: ok 7562
197: ok 7563
197: ok 7564
197: ok 7565
197: ok 7566
197: ok 7567
197: ok 7568
197: ok 7569
197: ok 7570
197: ok 7571
197: ok 7572
197: ok 7573
197: ok 7574
197: ok 7575
197: ok 7576
197: ok 7577
197: ok 7578
197: ok 7579
197: ok 7580
197: ok 7581
197: ok 7582
197: ok 7583
197: ok 7584
197: ok 7585
197: ok 7586
197: ok 7587
197: ok 7588
197: ok 7589
197: ok 7590
197: ok 7591
197: ok 7592
197: ok 7593
197: ok 7594
197: ok 7595
197: ok 7596
197: ok 7597
197: ok 7598
197: ok 7599
197: ok 7600
197: ok 7601
197: ok 7602
197: ok 7603
197: ok 7604
197: ok 7605
197: ok 7606
197: ok 7607
197: ok 7608
197: ok 7609
197: ok 7610
197: ok 7611
197: ok 7612
197: ok 7613
197: ok 7614
197: ok 7615
197: ok 7616
197: ok 7617
197: ok 7618
197: ok 7619
197: ok 7620
197: ok 7621
197: ok 7622
197: ok 7623
197: ok 7624
197: ok 7625
197: ok 7626
197: ok 7627
197: ok 7628
197: ok 7629
197: ok 7630
197: ok 7631
197: ok 7632
197: ok 7633
197: ok 7634
197: ok 7635
197: ok 7636
197: ok 7637
197: ok 7638
197: ok 7639
197: ok 7640
197: ok 7641
197: ok 7642
197: ok 7643
197: ok 7644
197: ok 7645
197: ok 7646
197: ok 7647
197: ok 7648
197: ok 7649
197: ok 7650
197: ok 7651
197: ok 7652
197: ok 7653
197: ok 7654
197: ok 7655
197: ok 7656
197: ok 7657
197: ok 7658
197: ok 7659
197: ok 7660
197: ok 7661
197: ok 7662
197: ok 7663
197: ok 7664
197: ok 7665
197: ok 7666
197: ok 7667
197: ok 7668
197: ok 7669
197: ok 7670
197: ok 7671
197: ok 7672
197: ok 7673
197: ok 7674
197: ok 7675
197: ok 7676
197: ok 7677
197: ok 7678
197: ok 7679
197: ok 7680
197: ok 7681
197: ok 7682
197: ok 7683
197: ok 7684
197: ok 7685
197: ok 7686
197: ok 7687
197: ok 7688
197: ok 7689
197: ok 7690
197: ok 7691
197: ok 7692
197: ok 7693
197: ok 7694
197: ok 7695
197: ok 7696
197: ok 7697
197: ok 7698
197: ok 7699
197: ok 7700
197: ok 7701
197: ok 7702
197: ok 7703
197: ok 7704
197: ok 7705
197: ok 7706
197: ok 7707
197: ok 7708
197: ok 7709
197: ok 7710
197: ok 7711
197: ok 7712
197: ok 7713
197: ok 7714
197: ok 7715
197: ok 7716
197: ok 7717
197: ok 7718
197: ok 7719
197: ok 7720
197: ok 7721
197: ok 7722
197: ok 7723
197: ok 7724
197: ok 7725
197: ok 7726
197: ok 7727
197: ok 7728
197: ok 7729
197: ok 7730
197: ok 7731
197: ok 7732
197: ok 7733
197: ok 7734
197: ok 7735
197: ok 7736
197: ok 7737
197: ok 7738
197: ok 7739
197: ok 7740
197: ok 7741
197: ok 7742
197: ok 7743
197: ok 7744
197: ok 7745
197: ok 7746
197: ok 7747
197: ok 7748
197: ok 7749
197: ok 7750
197: ok 7751
197: ok 7752
197: ok 7753
197: ok 7754
197: ok 7755
197: ok 7756
197: ok 7757
197: ok 7758
197: ok 7759
197: ok 7760
197: ok 7761
197: ok 7762
197: ok 7763
197: ok 7764
197: ok 7765
197: ok 7766
197: ok 7767
197: ok 7768
197: ok 7769
197: ok 7770
197: ok 7771
197: ok 7772
197: ok 7773
197: ok 7774
197: ok 7775
197: ok 7776
197: ok 7777
197: ok 7778
197: ok 7779
197: ok 7780
197: ok 7781
197: ok 7782
197: ok 7783
197: ok 7784
197: ok 7785
197: ok 7786
197: ok 7787
197: ok 7788
197: ok 7789
197: ok 7790
197: ok 7791
197: ok 7792
197: ok 7793
197: ok 7794
197: ok 7795
197: ok 7796
197: ok 7797
197: ok 7798
197: ok 7799
197: ok 7800
197: ok 7801
197: ok 7802
197: ok 7803
197: ok 7804
197: ok 7805
197: ok 7806
197: ok 7807
197: ok 7808
197: ok 7809
197: ok 7810
197: ok 7811
197: ok 7812
197: ok 7813
197: ok 7814
197: ok 7815
197: ok 7816
197: ok 7817
197: ok 7818
197: ok 7819
197: ok 7820
197: ok 7821
197: ok 7822
197: ok 7823
197: ok 7824
197: ok 7825
197: ok 7826
197: ok 7827
197: ok 7828
197: ok 7829
197: ok 7830
197: ok 7831
197: ok 7832
197: ok 7833
197: ok 7834
197: ok 7835
197: ok 7836
197: ok 7837
197: ok 7838
197: ok 7839
197: ok 7840
197: ok 7841
197: ok 7842
197: ok 7843
197: ok 7844
197: ok 7845
197: ok 7846
197: ok 7847
197: ok 7848
197: ok 7849
197: ok 7850
197: ok 7851
197: ok 7852
197: ok 7853
197: ok 7854
197: ok 7855
197: ok 7856
197: ok 7857
197: ok 7858
197: ok 7859
197: ok 7860
197: ok 7861
197: ok 7862
197: ok 7863
197: ok 7864
197: ok 7865
197: ok 7866
197: ok 7867
197: ok 7868
197: ok 7869
197: ok 7870
197: ok 7871
197: ok 7872
197: ok 7873
197: ok 7874
197: ok 7875
197: ok 7876
197: ok 7877
197: ok 7878
197: ok 7879
197: ok 7880
197: ok 7881
197: ok 7882
197: ok 7883
197: ok 7884
197: ok 7885
197: ok 7886
197: ok 7887
197: ok 7888
197: ok 7889
197: ok 7890
197: ok 7891
197: ok 7892
197: ok 7893
197: ok 7894
197: ok 7895
197: ok 7896
197: ok 7897
197: ok 7898
197: ok 7899
197: ok 7900
197: ok 7901
197: ok 7902
197: ok 7903
197: ok 7904
197: ok 7905
197: ok 7906
197: ok 7907
197: ok 7908
197: ok 7909
197: ok 7910
197: ok 7911
197: ok 7912
197: ok 7913
197: ok 7914
197: ok 7915
197: ok 7916
197: ok 7917
197: ok 7918
197: ok 7919
197: ok 7920
197: ok 7921
197: ok 7922
197: ok 7923
197: ok 7924
197: ok 7925
197: ok 7926
197: ok 7927
197: ok 7928
197: ok 7929
197: ok 7930
197: ok 7931
197: ok 7932
197: ok 7933
197: ok 7934
197: ok 7935
197: ok 7936
197: ok 7937
197: ok 7938
197: ok 7939
197: ok 7940
197: ok 7941
197: ok 7942
197: ok 7943
197: ok 7944
197: ok 7945
197: ok 7946
197: ok 7947
197: ok 7948
197: ok 7949
197: ok 7950
197: ok 7951
197: ok 7952
197: ok 7953
197: ok 7954
197: ok 7955
197: ok 7956
197: ok 7957
197: ok 7958
197: ok 7959
197: ok 7960
197: ok 7961
197: ok 7962
197: ok 7963
197: ok 7964
197: ok 7965
197: ok 7966
197: ok 7967
197: ok 7968
197: ok 7969
197: ok 7970
197: ok 7971
197: ok 7972
197: ok 7973
197: ok 7974
197: ok 7975
197: ok 7976
197: ok 7977
197: ok 7978
197: ok 7979
197: ok 7980
197: ok 7981
197: ok 7982
197: ok 7983
197: ok 7984
197: ok 7985
197: ok 7986
197: ok 7987
197: ok 7988
197: ok 7989
197: ok 7990
197: ok 7991
197: ok 7992
197: ok 7993
197: ok 7994
197: ok 7995
197: ok 7996
197: ok 7997
197: ok 7998
197: ok 7999
197: ok 8000
197: ok 8001
197: ok 8002
197: ok 8003
197: ok 8004
197: ok 8005
197: ok 8006
197: ok 8007
197: ok 8008
197: ok 8009
197: ok 8010
197: ok 8011
197: ok 8012
197: ok 8013
197: ok 8014
197: ok 8015
197: ok 8016
197: ok 8017
197: ok 8018
197: ok 8019
197: ok 8020
197: ok 8021
197: ok 8022
197: ok 8023
197: ok 8024
197: ok 8025
197: ok 8026
197: ok 8027
197: ok 8028
197: ok 8029
197: ok 8030
197: ok 8031
197: ok 8032
197: ok 8033
197: ok 8034
197: ok 8035
197: ok 8036
197: ok 8037
197: ok 8038
197: ok 8039
197: ok 8040
197: ok 8041
197: ok 8042
197: ok 8043
197: ok 8044
197: ok 8045
197: ok 8046
197: ok 8047
197: ok 8048
197: ok 8049
197: ok 8050
197: ok 8051
197: ok 8052
197: ok 8053
197: ok 8054
197: ok 8055
197: ok 8056
197: ok 8057
197: ok 8058
197: ok 8059
197: ok 8060
197: ok 8061
197: ok 8062
197: ok 8063
197: ok 8064
197: ok 8065
197: ok 8066
197: ok 8067
197: ok 8068
197: ok 8069
197: ok 8070
197: ok 8071
197: ok 8072
197: ok 8073
197: ok 8074
197: ok 8075
197: ok 8076
197: ok 8077
197: ok 8078
197: ok 8079
197: ok 8080
197: ok 8081
197: ok 8082
197: ok 8083
197: ok 8084
197: ok 8085
197: ok 8086
197: ok 8087
197: ok 8088
197: ok 8089
197: ok 8090
197: ok 8091
197: ok 8092
197: ok 8093
197: ok 8094
197: ok 8095
197: ok 8096
197: ok 8097
197: ok 8098
197: ok 8099
197: ok 8100
197: ok 8101
197: ok 8102
197: ok 8103
197: ok 8104
197: ok 8105
197: ok 8106
197: ok 8107
197: ok 8108
197: ok 8109
197: ok 8110
197: ok 8111
197: ok 8112
197: ok 8113
197: ok 8114
197: ok 8115
197: ok 8116
197: ok 8117
197: ok 8118
197: ok 8119
197: ok 8120
197: ok 8121
197: ok 8122
197: ok 8123
197: ok 8124
197: ok 8125
197: ok 8126
197: ok 8127
197: ok 8128
197: ok 8129
197: ok 8130
197: ok 8131
197: ok 8132
197: ok 8133
197: ok 8134
197: ok 8135
197: ok 8136
197: ok 8137
197: ok 8138
197: ok 8139
197: ok 8140
197: ok 8141
197: ok 8142
197: ok 8143
197: ok 8144
197: ok 8145
197: ok 8146
197: ok 8147
197: ok 8148
197: ok 8149
197: ok 8150
197: ok 8151
197: ok 8152
197: ok 8153
197: ok 8154
197: ok 8155
197: ok 8156
197: ok 8157
197: ok 8158
197: ok 8159
197: ok 8160
197: ok 8161
197: ok 8162
197: ok 8163
197: ok 8164
197: ok 8165
197: ok 8166
197: ok 8167
197: ok 8168
197: ok 8169
197: ok 8170
197: ok 8171
197: ok 8172
197: ok 8173
197: ok 8174
197: ok 8175
197: ok 8176
197: ok 8177
197: ok 8178
197: ok 8179
197: ok 8180
197: ok 8181
197: ok 8182
197: ok 8183
197: ok 8184
197: ok 8185
197: ok 8186
197: ok 8187
197: ok 8188
197: ok 8189
197: ok 8190
197: ok 8191
197: ok 8192
197: ok 8193
197: ok 8194
197: ok 8195
197: ok 8196
197: ok 8197
197: ok 8198
197: ok 8199
197: ok 8200
197: ok 8201
197: ok 8202
197: ok 8203
197: ok 8204
197: ok 8205
197: ok 8206
197: ok 8207
197: ok 8208
197: ok 8209
197: ok 8210
197: ok 8211
197: ok 8212
197: ok 8213
197: ok 8214
197: ok 8215
197: ok 8216
197: ok 8217
197: ok 8218
197: ok 8219
197: ok 8220
197: ok 8221
197: ok 8222
197: ok 8223
197: ok 8224
197: ok 8225
197: ok 8226
197: ok 8227
197: ok 8228
197: ok 8229
197: ok 8230
197: ok 8231
197: ok 8232
197: ok 8233
197: ok 8234
197: ok 8235
197: ok 8236
197: ok 8237
197: ok 8238
197: ok 8239
197: ok 8240
197: ok 8241
197: ok 8242
197: ok 8243
197: ok 8244
197: ok 8245
197: ok 8246
197: ok 8247
197: ok 8248
197: ok 8249
197: ok 8250
197: ok 8251
197: ok 8252
197: ok 8253
197: ok 8254
197: ok 8255
197: ok 8256
197: ok 8257
197: ok 8258
197: ok 8259
197: ok 8260
197: ok 8261
197: ok 8262
197: ok 8263
197: ok 8264
197: ok 8265
197: ok 8266
197: ok 8267
197: ok 8268
197: ok 8269
197: ok 8270
197: ok 8271
197: ok 8272
197: ok 8273
197: ok 8274
197: ok 8275
197: ok 8276
197: ok 8277
197: ok 8278
197: ok 8279
197: ok 8280
197: ok 8281
197: ok 8282
197: ok 8283
197: ok 8284
197: ok 8285
197: ok 8286
197: ok 8287
197: ok 8288
197: ok 8289
197: ok 8290
197: ok 8291
197: ok 8292
197: ok 8293
197: ok 8294
197: ok 8295
197: ok 8296
197: ok 8297
197: ok 8298
197: ok 8299
197: ok 8300
197: ok 8301
197: ok 8302
197: ok 8303
197: ok 8304
197: ok 8305
197: ok 8306
197: ok 8307
197: ok 8308
197: ok 8309
197: ok 8310
197: ok 8311
197: ok 8312
197: ok 8313
197: ok 8314
197: ok 8315
197: ok 8316
197: ok 8317
197: ok 8318
197: ok 8319
197: ok 8320
197: ok 8321
197: ok 8322
197: ok 8323
197: ok 8324
197: ok 8325
197: ok 8326
197: ok 8327
197: ok 8328
197: ok 8329
197: ok 8330
197: ok 8331
197: ok 8332
197: ok 8333
197: ok 8334
197: ok 8335
197: ok 8336
197: ok 8337
197: ok 8338
197: ok 8339
197: ok 8340
197: ok 8341
197: ok 8342
197: ok 8343
197: ok 8344
197: ok 8345
197: ok 8346
197: ok 8347
197: ok 8348
197: ok 8349
197: ok 8350
197: ok 8351
197: ok 8352
197: ok 8353
197: ok 8354
197: ok 8355
197: ok 8356
197: ok 8357
197: ok 8358
197: ok 8359
197: ok 8360
197: ok 8361
197: ok 8362
197: ok 8363
197: ok 8364
197: ok 8365
197: ok 8366
197: ok 8367
197: ok 8368
197: ok 8369
197: ok 8370
197: ok 8371
197: ok 8372
197: ok 8373
197: ok 8374
197: ok 8375
197: ok 8376
197: ok 8377
197: ok 8378
197: ok 8379
197: ok 8380
197: ok 8381
197: ok 8382
197: ok 8383
197: ok 8384
197: ok 8385
197: ok 8386
197: ok 8387
197: ok 8388
197: ok 8389
197: ok 8390
197: ok 8391
197: ok 8392
197: ok 8393
197: ok 8394
197: ok 8395
197: ok 8396
197: ok 8397
197: ok 8398
197: ok 8399
197: ok 8400
197: ok 8401
197: ok 8402
197: ok 8403
197: ok 8404
197: ok 8405
197: ok 8406
197: ok 8407
197: ok 8408
197: ok 8409
197: ok 8410
197: ok 8411
197: ok 8412
197: ok 8413
197: ok 8414
197: ok 8415
197: ok 8416
197: ok 8417
197: ok 8418
197: ok 8419
197: ok 8420
197: ok 8421
197: ok 8422
197: ok 8423
197: ok 8424
197: ok 8425
197: ok 8426
197: ok 8427
197: ok 8428
197: ok 8429
197: ok 8430
197: ok 8431
197: ok 8432
197: ok 8433
197: ok 8434
197: ok 8435
197: ok 8436
197: ok 8437
197: ok 8438
197: ok 8439
197: ok 8440
197: ok 8441
197: ok 8442
197: ok 8443
197: ok 8444
197: ok 8445
197: ok 8446
197: ok 8447
197: ok 8448
197: ok 8449
197: ok 8450
197: ok 8451
197: ok 8452
197: ok 8453
197: ok 8454
197: ok 8455
197: ok 8456
197: ok 8457
197: ok 8458
197: ok 8459
197: ok 8460
197: ok 8461
197: ok 8462
197: ok 8463
197: ok 8464
197: ok 8465
197: ok 8466
197: ok 8467
197: ok 8468
197: ok 8469
197: ok 8470
197: ok 8471
197: ok 8472
197: ok 8473
197: ok 8474
197: ok 8475
197: ok 8476
197: ok 8477
197: ok 8478
197: ok 8479
197: ok 8480
197: ok 8481
197: ok 8482
197: ok 8483
197: ok 8484
197: ok 8485
197: ok 8486
197: ok 8487
197: ok 8488
197: ok 8489
197: ok 8490
197: ok 8491
197: ok 8492
197: ok 8493
197: ok 8494
197: ok 8495
197: ok 8496
197: ok 8497
197: ok 8498
197: ok 8499
197: ok 8500
197: ok 8501
197: ok 8502
197: ok 8503
197: ok 8504
197: ok 8505
197: ok 8506
197: ok 8507
197: ok 8508
197: ok 8509
197: ok 8510
197: ok 8511
197: ok 8512
197: ok 8513
197: ok 8514
197: ok 8515
197: ok 8516
197: ok 8517
197: ok 8518
197: ok 8519
197: ok 8520
197: ok 8521
197: ok 8522
197: ok 8523
197: ok 8524
197: ok 8525
197: ok 8526
197: ok 8527
197: ok 8528
197: ok 8529
197: ok 8530
197: ok 8531
197: ok 8532
197: ok 8533
197: ok 8534
197: ok 8535
197: ok 8536
197: ok 8537
197: ok 8538
197: ok 8539
197: ok 8540
197: ok 8541
197: ok 8542
197: ok 8543
197: ok 8544
197: ok 8545
197: ok 8546
197: ok 8547
197: ok 8548
197: ok 8549
197: ok 8550
197: ok 8551
197: ok 8552
197: ok 8553
197: ok 8554
197: ok 8555
197: ok 8556
197: ok 8557
197: ok 8558
197: ok 8559
197: ok 8560
197: ok 8561
197: ok 8562
197: ok 8563
197: ok 8564
197: ok 8565
197: ok 8566
197: ok 8567
197: ok 8568
197: ok 8569
197: ok 8570
197: ok 8571
197: ok 8572
197: ok 8573
197: ok 8574
197: ok 8575
197: ok 8576
197: ok 8577
197: ok 8578
197: ok 8579
197: ok 8580
197: ok 8581
197: ok 8582
197: ok 8583
197: ok 8584
197: ok 8585
197: ok 8586
197: ok 8587
197: ok 8588
197: ok 8589
197: ok 8590
197: ok 8591
197: ok 8592
197: ok 8593
197: ok 8594
197: ok 8595
197: ok 8596
197: ok 8597
197: ok 8598
197: ok 8599
197: ok 8600
197: ok 8601
197: ok 8602
197: ok 8603
197: ok 8604
197: ok 8605
197: ok 8606
197: ok 8607
197: ok 8608
197: ok 8609
197: ok 8610
197: ok 8611
197: ok 8612
197: ok 8613
197: ok 8614
197: ok 8615
197: ok 8616
197: ok 8617
197: ok 8618
197: ok 8619
197: ok 8620
197: ok 8621
197: ok 8622
197: ok 8623
197: ok 8624
197: ok 8625
197: ok 8626
197: ok 8627
197: ok 8628
197: ok 8629
197: ok 8630
197: ok 8631
197: ok 8632
197: ok 8633
197: ok 8634
197: ok 8635
197: ok 8636
197: ok 8637
197: ok 8638
197: ok 8639
197: ok 8640
197: ok 8641
197: ok 8642
197: ok 8643
197: ok 8644
197: ok 8645
197: ok 8646
197: ok 8647
197: ok 8648
197: ok 8649
197: ok 8650
197: ok 8651
197: ok 8652
197: ok 8653
197: ok 8654
197: ok 8655
197: ok 8656
197: ok 8657
197: ok 8658
197: ok 8659
197: ok 8660
197: ok 8661
197: ok 8662
197: ok 8663
197: ok 8664
197: ok 8665
197: ok 8666
197: ok 8667
197: ok 8668
197: ok 8669
197: ok 8670
197: ok 8671
197: ok 8672
197: ok 8673
197: ok 8674
197: ok 8675
197: ok 8676
197: ok 8677
197: ok 8678
197: ok 8679
197: ok 8680
197: ok 8681
197: ok 8682
197: ok 8683
197: ok 8684
197: ok 8685
197: ok 8686
197: ok 8687
197: ok 8688
197: ok 8689
197: ok 8690
197: ok 8691
197: ok 8692
197: ok 8693
197: ok 8694
197: ok 8695
197: ok 8696
197: ok 8697
197: ok 8698
197: ok 8699
197: ok 8700
197: ok 8701
197: ok 8702
197: ok 8703
197: ok 8704
197: ok 8705
197: ok 8706
197: ok 8707
197: ok 8708
197: ok 8709
197: ok 8710
197: ok 8711
197: ok 8712
197: ok 8713
197: ok 8714
197: ok 8715
197: ok 8716
197: ok 8717
197: ok 8718
197: ok 8719
197: ok 8720
197: ok 8721
197: ok 8722
197: ok 8723
197: ok 8724
197: ok 8725
197: ok 8726
197: ok 8727
197: ok 8728
197: ok 8729
197: ok 8730
197: ok 8731
197: ok 8732
197: ok 8733
197: ok 8734
197: ok 8735
197: ok 8736
197: ok 8737
197: ok 8738
197: ok 8739
197: ok 8740
197: ok 8741
197: ok 8742
197: ok 8743
197: ok 8744
197: ok 8745
197: ok 8746
197: ok 8747
197: ok 8748
197: ok 8749
197: ok 8750
197: ok 8751
197: ok 8752
197: ok 8753
197: ok 8754
197: ok 8755
197: ok 8756
197: ok 8757
197: ok 8758
197: ok 8759
197: ok 8760
197: ok 8761
197: ok 8762
197: ok 8763
197: ok 8764
197: ok 8765
197: ok 8766
197: ok 8767
197: ok 8768
197: ok 8769
197: ok 8770
197: ok 8771
197: ok 8772
197: ok 8773
197: ok 8774
197: ok 8775
197: ok 8776
197: ok 8777
197: ok 8778
197: ok 8779
197: ok 8780
197: ok 8781
197: ok 8782
197: ok 8783
197: ok 8784
197: ok 8785
197: ok 8786
197: ok 8787
197: ok 8788
197: ok 8789
197: ok 8790
197: ok 8791
197: ok 8792
197: ok 8793
197: ok 8794
197: ok 8795
197: ok 8796
197: ok 8797
197: ok 8798
197: ok 8799
197: ok 8800
197: ok 8801
197: ok 8802
197: ok 8803
197: ok 8804
197: ok 8805
197: ok 8806
197: ok 8807
197: ok 8808
197: ok 8809
197: ok 8810
197: ok 8811
197: ok 8812
197: ok 8813
197: ok 8814
197: ok 8815
197: ok 8816
197: ok 8817
197: ok 8818
197: ok 8819
197: ok 8820
197: ok 8821
197: ok 8822
197: ok 8823
197: ok 8824
197: ok 8825
197: ok 8826
197: ok 8827
197: ok 8828
197: ok 8829
197: ok 8830
197: ok 8831
197: ok 8832
197: ok 8833
197: ok 8834
197: ok 8835
197: ok 8836
197: ok 8837
197: ok 8838
197: ok 8839
197: ok 8840
197: ok 8841
197: ok 8842
197: ok 8843
197: ok 8844
197: ok 8845
197: ok 8846
197: ok 8847
197: ok 8848
197: ok 8849
197: ok 8850
197: ok 8851
197: ok 8852
197: ok 8853
197: ok 8854
197: ok 8855
197: ok 8856
197: ok 8857
197: ok 8858
197: ok 8859
197: ok 8860
197: ok 8861
197: ok 8862
197: ok 8863
197: ok 8864
197: ok 8865
197: ok 8866
197: ok 8867
197: ok 8868
197: ok 8869
197: ok 8870
197: ok 8871
197: ok 8872
197: ok 8873
197: ok 8874
197: ok 8875
197: ok 8876
197: ok 8877
197: ok 8878
197: ok 8879
197: ok 8880
197: ok 8881
197: ok 8882
197: ok 8883
197: ok 8884
197: ok 8885
197: ok 8886
197: ok 8887
197: ok 8888
197: ok 8889
197: ok 8890
197: ok 8891
197: ok 8892
197: ok 8893
197: ok 8894
197: ok 8895
197: ok 8896
197: ok 8897
197: ok 8898
197: ok 8899
197: ok 8900
197: ok 8901
197: ok 8902
197: ok 8903
197: ok 8904
197: ok 8905
197: ok 8906
197: ok 8907
197: ok 8908
197: ok 8909
197: ok 8910
197: ok 8911
197: ok 8912
197: ok 8913
197: ok 8914
197: ok 8915
197: ok 8916
197: ok 8917
197: ok 8918
197: ok 8919
197: ok 8920
197: ok 8921
197: ok 8922
197: ok 8923
197: ok 8924
197: ok 8925
197: ok 8926
197: ok 8927
197: ok 8928
197: ok 8929
197: ok 8930
197: ok 8931
197: ok 8932
197: ok 8933
197: ok 8934
197: ok 8935
197: ok 8936
197: ok 8937
197: ok 8938
197: ok 8939
197: ok 8940
197: ok 8941
197: ok 8942
197: ok 8943
197: ok 8944
197: ok 8945
197: ok 8946
197: ok 8947
197: ok 8948
197: ok 8949
197: ok 8950
197: ok 8951
197: ok 8952
197: ok 8953
197: ok 8954
197: ok 8955
197: ok 8956
197: ok 8957
197: ok 8958
197: ok 8959
197: ok 8960
197: ok 8961
197: ok 8962
197: ok 8963
197: ok 8964
197: ok 8965
197: ok 8966
197: ok 8967
197: ok 8968
197: ok 8969
197: ok 8970
197: ok 8971
197: ok 8972
197: ok 8973
197: ok 8974
197: ok 8975
197: ok 8976
197: ok 8977
197: ok 8978
197: ok 8979
197: ok 8980
197: ok 8981
197: ok 8982
197: ok 8983
197: ok 8984
197: ok 8985
197: ok 8986
197: ok 8987
197: ok 8988
197: ok 8989
197: ok 8990
197: ok 8991
197: ok 8992
197: ok 8993
197: ok 8994
197: ok 8995
197: ok 8996
197: ok 8997
197: ok 8998
197: ok 8999
197: ok 9000
197: ok 9001
197: ok 9002
197: ok 9003
197: ok 9004
197: ok 9005
197: ok 9006
197: ok 9007
197: ok 9008
197: ok 9009
197: ok 9010
197: ok 9011
197: ok 9012
197: ok 9013
197: ok 9014
197: ok 9015
197: ok 9016
197: ok 9017
197: ok 9018
197: ok 9019
197: ok 9020
197: ok 9021
197: ok 9022
197: ok 9023
197: ok 9024
197: ok 9025
197: ok 9026
197: ok 9027
197: ok 9028
197: ok 9029
197: ok 9030
197: ok 9031
197: ok 9032
197: ok 9033
197: ok 9034
197: ok 9035
197: ok 9036
197: ok 9037
197: ok 9038
197: ok 9039
197: ok 9040
197: ok 9041
197: ok 9042
197: ok 9043
197: ok 9044
197: ok 9045
197: ok 9046
197: ok 9047
197: ok 9048
197: ok 9049
197: ok 9050
197: ok 9051
197: ok 9052
197: ok 9053
197: ok 9054
197: ok 9055
197: ok 9056
197: ok 9057
197: ok 9058
197: ok 9059
197: ok 9060
197: ok 9061
197: ok 9062
197: ok 9063
197: ok 9064
197: ok 9065
197: ok 9066
197: ok 9067
197: ok 9068
197: ok 9069
197: ok 9070
197: ok 9071
197: ok 9072
197: ok 9073
197: ok 9074
197: ok 9075
197: ok 9076
197: ok 9077
197: ok 9078
197: ok 9079
197: ok 9080
197: ok 9081
197: ok 9082
197: ok 9083
197: ok 9084
197: ok 9085
197: ok 9086
197: ok 9087
197: ok 9088
197: ok 9089
197: ok 9090
197: ok 9091
197: ok 9092
197: ok 9093
197: ok 9094
197: ok 9095
197: ok 9096
197: ok 9097
197: ok 9098
197: ok 9099
197: ok 9100
197: ok 9101
197: ok 9102
197: ok 9103
197: ok 9104
197: ok 9105
197: ok 9106
197: ok 9107
197: ok 9108
197: ok 9109
197: ok 9110
197: ok 9111
197: ok 9112
197: ok 9113
197: ok 9114
197: ok 9115
197: ok 9116
197: ok 9117
197: ok 9118
197: ok 9119
197: ok 9120
197: ok 9121
197: ok 9122
197: ok 9123
197: ok 9124
197: ok 9125
197: ok 9126
197: ok 9127
197: ok 9128
197: ok 9129
197: ok 9130
197: ok 9131
197: ok 9132
197: ok 9133
197: ok 9134
197: ok 9135
197: ok 9136
197: ok 9137
197: ok 9138
197: ok 9139
197: ok 9140
197: ok 9141
197: ok 9142
197: ok 9143
197: ok 9144
197: ok 9145
197: ok 9146
197: ok 9147
197: ok 9148
197: ok 9149
197: ok 9150
197: ok 9151
197: ok 9152
197: ok 9153
197: ok 9154
197: ok 9155
197: ok 9156
197: ok 9157
197: ok 9158
197: ok 9159
197: ok 9160
197: ok 9161
197: ok 9162
197: ok 9163
197: ok 9164
197: ok 9165
197: ok 9166
197: ok 9167
197: ok 9168
197: ok 9169
197: ok 9170
197: ok 9171
197: ok 9172
197: ok 9173
197: ok 9174
197: ok 9175
197: ok 9176
197: ok 9177
197: ok 9178
197: ok 9179
197: ok 9180
197: ok 9181
197: ok 9182
197: ok 9183
197: ok 9184
197: ok 9185
197: ok 9186
197: ok 9187
197: ok 9188
197: ok 9189
197: ok 9190
197: ok 9191
197: ok 9192
197: ok 9193
197: ok 9194
197: ok 9195
197: ok 9196
197: ok 9197
197: ok 9198
197: ok 9199
197: ok 9200
197: ok 9201
197: ok 9202
197: ok 9203
197: ok 9204
197: ok 9205
197: ok 9206
197: ok 9207
197: ok 9208
197: ok 9209
197: ok 9210
197: ok 9211
197: ok 9212
197: ok 9213
197: ok 9214
197: ok 9215
197: ok 9216
197: ok 9217
197: ok 9218
197: ok 9219
197: ok 9220
197: ok 9221
197: ok 9222
197: ok 9223
197: ok 9224
197: ok 9225
197: ok 9226
197: ok 9227
197: ok 9228
197: ok 9229
197: ok 9230
197: ok 9231
197: ok 9232
197: ok 9233
197: ok 9234
197: ok 9235
197: ok 9236
197: ok 9237
197: ok 9238
197: ok 9239
197: ok 9240
197: ok 9241
197: ok 9242
197: ok 9243
197: ok 9244
197: ok 9245
197: ok 9246
197: ok 9247
197: ok 9248
197: ok 9249
197: ok 9250
197: ok 9251
197: ok 9252
197: ok 9253
197: ok 9254
197: ok 9255
197: ok 9256
197: ok 9257
197: ok 9258
197: ok 9259
197: ok 9260
197: ok 9261
197: ok 9262
197: ok 9263
197: ok 9264
197: ok 9265
197: ok 9266
197: ok 9267
197: ok 9268
197: ok 9269
197: ok 9270
197: ok 9271
197: ok 9272
197: ok 9273
197: ok 9274
197: ok 9275
197: ok 9276
197: ok 9277
197: ok 9278
197: ok 9279
197: ok 9280
197: ok 9281
197: ok 9282
197: ok 9283
197: ok 9284
197: ok 9285
197: ok 9286
197: ok 9287
197: ok 9288
197: ok 9289
197: ok 9290
197: ok 9291
197: ok 9292
197: ok 9293
197: ok 9294
197: ok 9295
197: ok 9296
197: ok 9297
197: ok 9298
197: ok 9299
197: ok 9300
197: ok 9301
197: ok 9302
197: ok 9303
197: ok 9304
197: ok 9305
197: ok 9306
197: ok 9307
197: ok 9308
197: ok 9309
197: ok 9310
197: ok 9311
197: ok 9312
197: ok 9313
197: ok 9314
197: ok 9315
197: ok 9316
197: ok 9317
197: ok 9318
197: ok 9319
197: ok 9320
197: ok 9321
197: ok 9322
197: ok 9323
197: ok 9324
197: ok 9325
197: ok 9326
197: ok 9327
197: ok 9328
197: ok 9329
197: ok 9330
197: ok 9331
197: ok 9332
197: ok 9333
197: ok 9334
197: ok 9335
197: ok 9336
197: ok 9337
197: ok 9338
197: ok 9339
197: ok 9340
197: ok 9341
197: ok 9342
197: ok 9343
197: ok 9344
197: ok 9345
197: ok 9346
197: ok 9347
197: ok 9348
197: ok 9349
197: ok 9350
197: ok 9351
197: ok 9352
197: ok 9353
197: ok 9354
197: ok 9355
197: ok 9356
197: ok 9357
197: ok 9358
197: ok 9359
197: ok 9360
197: ok 9361
197: ok 9362
197: ok 9363
197: ok 9364
197: ok 9365
197: ok 9366
197: ok 9367
197: ok 9368
197: ok 9369
197: ok 9370
197: ok 9371
197: ok 9372
197: ok 9373
197: ok 9374
197: ok 9375
197: ok 9376
197: ok 9377
197: ok 9378
197: ok 9379
197: ok 9380
197: ok 9381
197: ok 9382
197: ok 9383
197: ok 9384
197: ok 9385
197: ok 9386
197: ok 9387
197: ok 9388
197: ok 9389
197: ok 9390
197: ok 9391
197: ok 9392
197: ok 9393
197: ok 9394
197: ok 9395
197: ok 9396
197: ok 9397
197: ok 9398
197: ok 9399
197: ok 9400
197: ok 9401
197: ok 9402
197: ok 9403
197: ok 9404
197: ok 9405
197: ok 9406
197: ok 9407
197: ok 9408
197: ok 9409
197: ok 9410
197: ok 9411
197: ok 9412
197: ok 9413
197: ok 9414
197: ok 9415
197: ok 9416
197: ok 9417
197: ok 9418
197: ok 9419
197: ok 9420
197: ok 9421
197: ok 9422
197: ok 9423
197: ok 9424
197: ok 9425
197: ok 9426
197: ok 9427
197: ok 9428
197: ok 9429
197: ok 9430
197: ok 9431
197: ok 9432
197: ok 9433
197: ok 9434
197: ok 9435
197: ok 9436
197: ok 9437
197: ok 9438
197: ok 9439
197: ok 9440
197: ok 9441
197: ok 9442
197: ok 9443
197: ok 9444
197: ok 9445
197: ok 9446
197: ok 9447
197: ok 9448
197: ok 9449
197: ok 9450
197: ok 9451
197: ok 9452
197: ok 9453
197: ok 9454
197: ok 9455
197: ok 9456
197: ok 9457
197: ok 9458
197: ok 9459
197: ok 9460
197: ok 9461
197: ok 9462
197: ok 9463
197: ok 9464
197: ok 9465
197: ok 9466
197: ok 9467
197: ok 9468
197: ok 9469
197: ok 9470
197: ok 9471
197: ok 9472
197: ok 9473
197: ok 9474
197: ok 9475
197: ok 9476
197: ok 9477
197: ok 9478
197: ok 9479
197: ok 9480
197: ok 9481
197: ok 9482
197: ok 9483
197: ok 9484
197: ok 9485
197: ok 9486
197: ok 9487
197: ok 9488
197: ok 9489
197: ok 9490
197: ok 9491
197: ok 9492
197: ok 9493
197: ok 9494
197: ok 9495
197: ok 9496
197: ok 9497
197: ok 9498
197: ok 9499
197: ok 9500
197: ok 9501
197: ok 9502
197: ok 9503
197: ok 9504
197: ok 9505
197: ok 9506
197: ok 9507
197: ok 9508
197: ok 9509
197: ok 9510
197: ok 9511
197: ok 9512
197: ok 9513
197: ok 9514
197: ok 9515
197: ok 9516
197: ok 9517
197: ok 9518
197: ok 9519
197: ok 9520
197: ok 9521
197: ok 9522
197: ok 9523
197: ok 9524
197: ok 9525
197: ok 9526
197: ok 9527
197: ok 9528
197: ok 9529
197: ok 9530
197: ok 9531
197: ok 9532
197: ok 9533
197: ok 9534
197: ok 9535
197: ok 9536
197: ok 9537
197: ok 9538
197: ok 9539
197: ok 9540
197: ok 9541
197: ok 9542
197: ok 9543
197: ok 9544
197: ok 9545
197: ok 9546
197: ok 9547
197: ok 9548
197: ok 9549
197: ok 9550
197: ok 9551
197: ok 9552
197: ok 9553
197: ok 9554
197: ok 9555
197: ok 9556
197: ok 9557
197: ok 9558
197: ok 9559
197: ok 9560
197: ok 9561
197: ok 9562
197: ok 9563
197: ok 9564
197: ok 9565
197: ok 9566
197: ok 9567
197: ok 9568
197: ok 9569
197: ok 9570
197: ok 9571
197: ok 9572
197: ok 9573
197: ok 9574
197: ok 9575
197: ok 9576
197: ok 9577
197: ok 9578
197: ok 9579
197: ok 9580
197: ok 9581
197: ok 9582
197: ok 9583
197: ok 9584
197: ok 9585
197: ok 9586
197: ok 9587
197: ok 9588
197: ok 9589
197: ok 9590
197: ok 9591
197: ok 9592
197: ok 9593
197: ok 9594
197: ok 9595
197: ok 9596
197: ok 9597
197: ok 9598
197: ok 9599
197: ok 9600
197: ok 9601
197: ok 9602
197: ok 9603
197: ok 9604
197: ok 9605
197: ok 9606
197: ok 9607
197: ok 9608
197: ok 9609
197: ok 9610
197: ok 9611
197: ok 9612
197: ok 9613
197: ok 9614
197: ok 9615
197: ok 9616
197: ok 9617
197: ok 9618
197: ok 9619
197: ok 9620
197: ok 9621
197: ok 9622
197: ok 9623
197: ok 9624
197: ok 9625
197: ok 9626
197: ok 9627
197: ok 9628
197: ok 9629
197: ok 9630
197: ok 9631
197: ok 9632
197: ok 9633
197: ok 9634
197: ok 9635
197: ok 9636
197: ok 9637
197: ok 9638
197: ok 9639
197: ok 9640
197: ok 9641
197: ok 9642
197: ok 9643
197: ok 9644
197: ok 9645
197: ok 9646
197: ok 9647
197: ok 9648
197: ok 9649
197: ok 9650
197: ok 9651
197: ok 9652
197: ok 9653
197: ok 9654
197: ok 9655
197: ok 9656
197: ok 9657
197: ok 9658
197: ok 9659
197: ok 9660
197: ok 9661
197: ok 9662
197: ok 9663
197: ok 9664
197: ok 9665
197: ok 9666
197: ok 9667
197: ok 9668
197: ok 9669
197: ok 9670
197: ok 9671
197: ok 9672
197: ok 9673
197: ok 9674
197: ok 9675
197: ok 9676
197: ok 9677
197: ok 9678
197: ok 9679
197: ok 9680
197: ok 9681
197: ok 9682
197: ok 9683
197: ok 9684
197: ok 9685
197: ok 9686
197: ok 9687
197: ok 9688
197: ok 9689
197: ok 9690
197: ok 9691
197: ok 9692
197: ok 9693
197: ok 9694
197: ok 9695
197: ok 9696
197: ok 9697
197: ok 9698
197: ok 9699
197: ok 9700
197: ok 9701
197: ok 9702
197: ok 9703
197: ok 9704
197: ok 9705
197: ok 9706
197: ok 9707
197: ok 9708
197: ok 9709
197: ok 9710
197: ok 9711
197: ok 9712
197: ok 9713
197: ok 9714
197: ok 9715
197: ok 9716
197: ok 9717
197: ok 9718
197: ok 9719
197: ok 9720
197: ok 9721
197: ok 9722
197: ok 9723
197: ok 9724
197: ok 9725
197: ok 9726
197: ok 9727
197: ok 9728
197: ok 9729
197: ok 9730
197: ok 9731
197: ok 9732
197: ok 9733
197: ok 9734
197: ok 9735
197: ok 9736
197: ok 9737
197: ok 9738
197: ok 9739
197: ok 9740
197: ok 9741
197: ok 9742
197: ok 9743
197: ok 9744
197: ok 9745
197: ok 9746
197: ok 9747
197: ok 9748
197: ok 9749
197: ok 9750
197: ok 9751
197: ok 9752
197: ok 9753
197: ok 9754
197: ok 9755
197: ok 9756
197: ok 9757
197: ok 9758
197: ok 9759
197: ok 9760
197: ok 9761
197: ok 9762
197: ok 9763
197: ok 9764
197: ok 9765
197: ok 9766
197: ok 9767
197: ok 9768
197: ok 9769
197: ok 9770
197: ok 9771
197: ok 9772
197: ok 9773
197: ok 9774
197: ok 9775
197: ok 9776
197: ok 9777
197: ok 9778
197: ok 9779
197: ok 9780
197: ok 9781
197: ok 9782
197: ok 9783
197: ok 9784
197: ok 9785
197: ok 9786
197: ok 9787
197: ok 9788
197: ok 9789
197: ok 9790
197: ok 9791
197: ok 9792
197: ok 9793
197: ok 9794
197: ok 9795
197: ok 9796
197: ok 9797
197: ok 9798
197: ok 9799
197: ok 9800
197: ok 9801
197: ok 9802
197: ok 9803
197: ok 9804
197: ok 9805
197: ok 9806
197: ok 9807
197: ok 9808
197: ok 9809
197: ok 9810
197: ok 9811
197: ok 9812
197: ok 9813
197: ok 9814
197: ok 9815
197: ok 9816
197: ok 9817
197: ok 9818
197: ok 9819
197: ok 9820
197: ok 9821
197: ok 9822
197: ok 9823
197: ok 9824
197: ok 9825
197: ok 9826
197: ok 9827
197: ok 9828
197: ok 9829
197: ok 9830
197: ok 9831
197: ok 9832
197: ok 9833
197: ok 9834
197: ok 9835
197: ok 9836
197: ok 9837
197: ok 9838
197: ok 9839
197: ok 9840
197: ok 9841
197: ok 9842
197: ok 9843
197: ok 9844
197: ok 9845
197: ok 9846
197: ok 9847
197: ok 9848
197: ok 9849
197: ok 9850
197: ok 9851
197: ok 9852
197: ok 9853
197: ok 9854
197: ok 9855
197: ok 9856
197: ok 9857
197: ok 9858
197: ok 9859
197: ok 9860
197: ok 9861
197: ok 9862
197: ok 9863
197: ok 9864
197: ok 9865
197: ok 9866
197: ok 9867
197: ok 9868
197: ok 9869
197: ok 9870
197: ok 9871
197: ok 9872
197: ok 9873
197: ok 9874
197: ok 9875
197: ok 9876
197: ok 9877
197: ok 9878
197: ok 9879
197: ok 9880
197: ok 9881
197: ok 9882
197: ok 9883
197: ok 9884
197: ok 9885
197: ok 9886
197: ok 9887
197: ok 9888
197: ok 9889
197: ok 9890
197: ok 9891
197: ok 9892
197: ok 9893
197: ok 9894
197: ok 9895
197: ok 9896
197: ok 9897
197: ok 9898
197: ok 9899
197: ok 9900
197: ok 9901
197: ok 9902
197: ok 9903
197: ok 9904
197: ok 9905
197: ok 9906
197: ok 9907
197: ok 9908
197: ok 9909
197: ok 9910
197: ok 9911
197: ok 9912
197: ok 9913
197: ok 9914
197: ok 9915
197: ok 9916
197: ok 9917
197: ok 9918
197: ok 9919
197: ok 9920
197: ok 9921
197: ok 9922
197: ok 9923
197: ok 9924
197: ok 9925
197: ok 9926
197: ok 9927
197: ok 9928
197: ok 9929
197: ok 9930
197: ok 9931
197: ok 9932
197: ok 9933
197: ok 9934
197: ok 9935
197: ok 9936
197: ok 9937
197: ok 9938
197: ok 9939
197: ok 9940
197: ok 9941
197: ok 9942
197: ok 9943
197: ok 9944
197: ok 9945
197: ok 9946
197: ok 9947
197: ok 9948
197: ok 9949
197: ok 9950
197: ok 9951
197: ok 9952
197: ok 9953
197: ok 9954
197: ok 9955
197: ok 9956
197: ok 9957
197: ok 9958
197: ok 9959
197: ok 9960
197: ok 9961
197: ok 9962
197: ok 9963
197: ok 9964
197: ok 9965
197: ok 9966
197: ok 9967
197: ok 9968
197: ok 9969
197: ok 9970
197: ok 9971
197: ok 9972
197: ok 9973
197: ok 9974
197: ok 9975
197: ok 9976
197: ok 9977
197: ok 9978
197: ok 9979
197: ok 9980
197: ok 9981
197: ok 9982
197: ok 9983
197: ok 9984
197: ok 9985
197: ok 9986
197: ok 9987
197: ok 9988
197: ok 9989
197: ok 9990
197: ok 9991
197: ok 9992
197: ok 9993
197: ok 9994
197: ok 9995
197: ok 9996
197: ok 9997
197: ok 9998
197: ok 9999
197: ok 10000
197: ok 10001
197: ok 10002
197: ok 10003
197: ok 10004
197: ok 10005
197: ok 10006
197: ok 10007
197: ok 10008
197: ok 10009
197: ok 10010
197: ok 10011
197: ok 10012
197: ok 10013
197: ok 10014
197: ok 10015
197: ok 10016
197: ok 10017
197: ok 10018
197: ok 10019
197: ok 10020
197: ok 10021
197: ok 10022
197: ok 10023
197: ok 10024
197: ok 10025
197: ok 10026
197: ok 10027
197: ok 10028
197: ok 10029
197: ok 10030
197: ok 10031
197: ok 10032
197: ok 10033
197: ok 10034
197: ok 10035
197: ok 10036
197: ok 10037
197: ok 10038
197: ok 10039
197: ok 10040
197: ok 10041
197: ok 10042
197: ok 10043
197: ok 10044
197: ok 10045
197: ok 10046
197: ok 10047
197: ok 10048
197: ok 10049
197: ok 10050
197: ok 10051
197: ok 10052
197: ok 10053
197: ok 10054
197: ok 10055
197: ok 10056
197: ok 10057
197: ok 10058
197: ok 10059
197: ok 10060
197: ok 10061
197: ok 10062
197: ok 10063
197: ok 10064
197: ok 10065
197: ok 10066
197: ok 10067
197: ok 10068
197: ok 10069
197: ok 10070
197: ok 10071
197: ok 10072
197: ok 10073
197: ok 10074
197: ok 10075
197: ok 10076
197: ok 10077
197: ok 10078
197: ok 10079
197: ok 10080
197: ok 10081
197: ok 10082
197: ok 10083
197: ok 10084
197: ok 10085
197: ok 10086
197: ok 10087
197: ok 10088
197: ok 10089
197: ok 10090
197: ok 10091
197: ok 10092
197: ok 10093
197: ok 10094
197: ok 10095
197: ok 10096
197: ok 10097
197: ok 10098
197: ok 10099
197: ok 10100
197: ok 10101
197: ok 10102
197: ok 10103
197: ok 10104
197: ok 10105
197: ok 10106
197: ok 10107
197: ok 10108
197: ok 10109
197: ok 10110
197: ok 10111
197: ok 10112
197: ok 10113
197: ok 10114
197: ok 10115
197: ok 10116
197: ok 10117
197: ok 10118
197: ok 10119
197: ok 10120
197: ok 10121
197: ok 10122
197: ok 10123
197: ok 10124
197: ok 10125
197: ok 10126
197: ok 10127
197: ok 10128
197: ok 10129
197: ok 10130
197: ok 10131
197: ok 10132
197: ok 10133
197: ok 10134
197: ok 10135
197: ok 10136
197: ok 10137
197: ok 10138
197: ok 10139
197: ok 10140
197: ok 10141
197: ok 10142
197: ok 10143
197: ok 10144
197: ok 10145
197: ok 10146
197: ok 10147
197: ok 10148
197: ok 10149
197: ok 10150
197: ok 10151
197: ok 10152
197: ok 10153
197: ok 10154
197: ok 10155
197: ok 10156
197: ok 10157
197: ok 10158
197: ok 10159
197: ok 10160
197: ok 10161
197: ok 10162
197: ok 10163
197: ok 10164
197: ok 10165
197: ok 10166
197: ok 10167
197: ok 10168
197: ok 10169
197: ok 10170
197: ok 10171
197: ok 10172
197: ok 10173
197: ok 10174
197: ok 10175
197: ok 10176
197: ok 10177
197: ok 10178
197: ok 10179
197: ok 10180
197: ok 10181
197: ok 10182
197: ok 10183
197: ok 10184
197: ok 10185
197: ok 10186
197: ok 10187
197: ok 10188
197: ok 10189
197: ok 10190
197: ok 10191
197: ok 10192
197: ok 10193
197: ok 10194
197: ok 10195
197: ok 10196
197: ok 10197
197: ok 10198
197: ok 10199
197: ok 10200
197: ok 10201
197: ok 10202
197: ok 10203
197: ok 10204
197: ok 10205
197: ok 10206
197: ok 10207
197: ok 10208
197: ok 10209
197: ok 10210
197: ok 10211
197: ok 10212
197: ok 10213
197: ok 10214
197: ok 10215
197: ok 10216
197: ok 10217
197: ok 10218
197: ok 10219
197: ok 10220
197: ok 10221
197: ok 10222
197: ok 10223
197: ok 10224
197: ok 10225
197: ok 10226
197: ok 10227
197: ok 10228
197: ok 10229
197: ok 10230
197: ok 10231
197: ok 10232
197: ok 10233
197: ok 10234
197: ok 10235
197: ok 10236
197: ok 10237
197: ok 10238
197: ok 10239
197: ok 10240
197: ok 10241
197: ok 10242
197: ok 10243
197: ok 10244
197: ok 10245
197: ok 10246
197: ok 10247
197: ok 10248
197: ok 10249
197: ok 10250
197: ok 10251
197: ok 10252
197: ok 10253
197: ok 10254
197: ok 10255
197: ok 10256
197: ok 10257
197: ok 10258
197: ok 10259
197: ok 10260
197: ok 10261
197: ok 10262
197: ok 10263
197: ok 10264
197: ok 10265
197: ok 10266
197: ok 10267
197: ok 10268
197: ok 10269
197: ok 10270
197: ok 10271
197: ok 10272
197: ok 10273
197: ok 10274
197: ok 10275
197: ok 10276
197: ok 10277
197: ok 10278
197: ok 10279
197: ok 10280
197: ok 10281
197: ok 10282
197: ok 10283
197: ok 10284
197: ok 10285
197: ok 10286
197: ok 10287
197: ok 10288
197: ok 10289
197: ok 10290
197: ok 10291
197: ok 10292
197: ok 10293
197: ok 10294
197: ok 10295
197: ok 10296
197: ok 10297
197: ok 10298
197: ok 10299
197: ok 10300
197: ok 10301
197: ok 10302
197: ok 10303
197: ok 10304
197: ok 10305
197: ok 10306
197: ok 10307
197: ok 10308
197: ok 10309
197: ok 10310
197: ok 10311
197: ok 10312
197: ok 10313
197: ok 10314
197: ok 10315
197: ok 10316
197: ok 10317
197: ok 10318
197: ok 10319
197: ok 10320
197: ok 10321
197: ok 10322
197: ok 10323
197: ok 10324
197: ok 10325
197: ok 10326
197: ok 10327
197: ok 10328
197: ok 10329
197: ok 10330
197: ok 10331
197: ok 10332
197: ok 10333
197: ok 10334
197: ok 10335
197: ok 10336
197: ok 10337
197: ok 10338
197: ok 10339
197: ok 10340
197: ok 10341
197: ok 10342
197: ok 10343
197: ok 10344
197: ok 10345
197: ok 10346
197: ok 10347
197: ok 10348
197: ok 10349
197: ok 10350
197: ok 10351
197: ok 10352
197: ok 10353
197: ok 10354
197: ok 10355
197: ok 10356
197: ok 10357
197: ok 10358
197: ok 10359
197: ok 10360
197: ok 10361
197: ok 10362
197: ok 10363
197: ok 10364
197: ok 10365
197: ok 10366
197: ok 10367
197: ok 10368
197: ok 10369
197: ok 10370
197: ok 10371
197: ok 10372
197: ok 10373
197: ok 10374
197: ok 10375
197: ok 10376
197: ok 10377
197: ok 10378
197: ok 10379
197: ok 10380
197: ok 10381
197: ok 10382
197: ok 10383
197: ok 10384
197: ok 10385
197: ok 10386
197: ok 10387
197: ok 10388
197: ok 10389
197: ok 10390
197: ok 10391
197: ok 10392
197: ok 10393
197: ok 10394
197: ok 10395
197: ok 10396
197: ok 10397
197: ok 10398
197: ok 10399
197: ok 10400
197: ok 10401
197: ok 10402
197: ok 10403
197: ok 10404
197: ok 10405
197: ok 10406
197: ok 10407
197: ok 10408
197: ok 10409
197: ok 10410
197: ok 10411
197: ok 10412
197: ok 10413
197: ok 10414
197: ok 10415
197: ok 10416
197: ok 10417
197: ok 10418
197: ok 10419
197: ok 10420
197: ok 10421
197: ok 10422
197: ok 10423
197: ok 10424
197: ok 10425
197: ok 10426
197: ok 10427
197: ok 10428
197: ok 10429
197: ok 10430
197: ok 10431
197: ok 10432
197: ok 10433
197: ok 10434
197: ok 10435
197: ok 10436
197: ok 10437
197: ok 10438
197: ok 10439
197: ok 10440
197: ok 10441
197: ok 10442
197: ok 10443
197: ok 10444
197: ok 10445
197: ok 10446
197: ok 10447
197: ok 10448
197: ok 10449
197: ok 10450
197: ok 10451
197: ok 10452
197: ok 10453
197: ok 10454
197: ok 10455
197: ok 10456
197: ok 10457
197: ok 10458
197: ok 10459
197: ok 10460
197: ok 10461
197: ok 10462
197: ok 10463
197: ok 10464
197: ok 10465
197: ok 10466
197: ok 10467
197: ok 10468
197: ok 10469
197: ok 10470
197: ok 10471
197: ok 10472
197: ok 10473
197: ok 10474
197: ok 10475
197: ok 10476
197: ok 10477
197: ok 10478
197: ok 10479
197: ok 10480
197: ok 10481
197: ok 10482
197: ok 10483
197: ok 10484
197: ok 10485
197: ok 10486
197: ok 10487
197: ok 10488
197: ok 10489
197: ok 10490
197: ok 10491
197: ok 10492
197: ok 10493
197: ok 10494
197: ok 10495
197: ok 10496
197: ok 10497
197: ok 10498
197: ok 10499
197: ok 10500
197: ok 10501
197: ok 10502
197: ok 10503
197: ok 10504
197: ok 10505
197: ok 10506
197: ok 10507
197: ok 10508
197: ok 10509
197: ok 10510
197: ok 10511
197: ok 10512
197: ok 10513
197: ok 10514
197: ok 10515
197: ok 10516
197: ok 10517
197: ok 10518
197: ok 10519
197: ok 10520
197: ok 10521
197: ok 10522
197: ok 10523
197: ok 10524
197: ok 10525
197: ok 10526
197: ok 10527
197: ok 10528
197: ok 10529
197: ok 10530
197: ok 10531
197: ok 10532
197: ok 10533
197: ok 10534
197: ok 10535
197: ok 10536
197: ok 10537
197: ok 10538
197: ok 10539
197: ok 10540
197: ok 10541
197: ok 10542
197: ok 10543
197: ok 10544
197: ok 10545
197: ok 10546
197: ok 10547
197: ok 10548
197: ok 10549
197: ok 10550
197: ok 10551
197: ok 10552
197: ok 10553
197: ok 10554
197: ok 10555
197: ok 10556
197: ok 10557
197: ok 10558
197: ok 10559
197: ok 10560
197: ok 10561
197: ok 10562
197: ok 10563
197: ok 10564
197: ok 10565
197: ok 10566
197: ok 10567
197: ok 10568
197: ok 10569
197: ok 10570
197: ok 10571
197: ok 10572
197: ok 10573
197: ok 10574
197: ok 10575
197: ok 10576
197: ok 10577
197: ok 10578
197: ok 10579
197: ok 10580
197: ok 10581
197: ok 10582
197: ok 10583
197: ok 10584
197: ok 10585
197: ok 10586
197: ok 10587
197: ok 10588
197: ok 10589
197: ok 10590
197: ok 10591
197: ok 10592
197: ok 10593
197: ok 10594
197: ok 10595
197: ok 10596
197: ok 10597
197: ok 10598
197: ok 10599
197: ok 10600
197: ok 10601
197: ok 10602
197: ok 10603
197: ok 10604
197: ok 10605
197: ok 10606
197: ok 10607
197: ok 10608
197: ok 10609
197: ok 10610
197: ok 10611
197: ok 10612
197: ok 10613
197: ok 10614
197: ok 10615
197: ok 10616
197: ok 10617
197: ok 10618
197: ok 10619
197: ok 10620
197: ok 10621
197: ok 10622
197: ok 10623
197: ok 10624
197: ok 10625
197: ok 10626
197: ok 10627
197: ok 10628
197: ok 10629
197: ok 10630
197: ok 10631
197: ok 10632
197: ok 10633
197: ok 10634
197: ok 10635
197: ok 10636
197: ok 10637
197: ok 10638
197: ok 10639
197: ok 10640
197: ok 10641
197: ok 10642
197: ok 10643
197: ok 10644
197: ok 10645
197: ok 10646
197: ok 10647
197: ok 10648
197: ok 10649
197: ok 10650
197: ok 10651
197: ok 10652
197: ok 10653
197: ok 10654
197: ok 10655
197: ok 10656
197: ok 10657
197: ok 10658
197: ok 10659
197: ok 10660
197: ok 10661
197: ok 10662
197: ok 10663
197: ok 10664
197: ok 10665
197: ok 10666
197: ok 10667
197: ok 10668
197: ok 10669
197: ok 10670
197: ok 10671
197: ok 10672
197: ok 10673
197: ok 10674
197: ok 10675
197: ok 10676
197: ok 10677
197: ok 10678
197: ok 10679
197: ok 10680
197: ok 10681
197: ok 10682
197: ok 10683
197: ok 10684
197: ok 10685
197: ok 10686
197: ok 10687
197: ok 10688
197: ok 10689
197: ok 10690
197: ok 10691
197: ok 10692
197: ok 10693
197: ok 10694
197: ok 10695
197: ok 10696
197: ok 10697
197: ok 10698
197: ok 10699
197: ok 10700
197: ok 10701
197: ok 10702
197: ok 10703
197: ok 10704
197: ok 10705
197: ok 10706
197: ok 10707
197: ok 10708
197: ok 10709
197: ok 10710
197: ok 10711
197: ok 10712
197: ok 10713
197: ok 10714
197: ok 10715
197: ok 10716
197: ok 10717
197: ok 10718
197: ok 10719
197: ok 10720
197: ok 10721
197: ok 10722
197: ok 10723
197: ok 10724
197: ok 10725
197: ok 10726
197: ok 10727
197: ok 10728
197: ok 10729
197: ok 10730
197: ok 10731
197: ok 10732
197: ok 10733
197: ok 10734
197: ok 10735
197: ok 10736
197: ok 10737
197: ok 10738
197: ok 10739
197: ok 10740
197: ok 10741
197: ok 10742
197: ok 10743
197: ok 10744
197: ok 10745
197: ok 10746
197: ok 10747
197: ok 10748
197: ok 10749
197: ok 10750
197: ok 10751
197: ok 10752
197: ok 10753
197: ok 10754
197: ok 10755
197: ok 10756
197: ok 10757
197: ok 10758
197: ok 10759
197: ok 10760
197: ok 10761
197: ok 10762
197: ok 10763
197: ok 10764
197: ok 10765
197: ok 10766
197: ok 10767
197: ok 10768
197: ok 10769
197: ok 10770
197: ok 10771
197: ok 10772
197: ok 10773
197: ok 10774
197: ok 10775
197: ok 10776
197: ok 10777
197: ok 10778
197: ok 10779
197: ok 10780
197: ok 10781
197: ok 10782
197: ok 10783
197: ok 10784
197: ok 10785
197: ok 10786
197: ok 10787
197: ok 10788
197: ok 10789
197: ok 10790
197: ok 10791
197: ok 10792
197: ok 10793
197: ok 10794
197: ok 10795
197: ok 10796
197: ok 10797
197: ok 10798
197: ok 10799
197: ok 10800
197: ok 10801
197: ok 10802
197: ok 10803
197: ok 10804
197: ok 10805
197: ok 10806
197: ok 10807
197: ok 10808
197: ok 10809
197: ok 10810
197: ok 10811
197: ok 10812
197: ok 10813
197: ok 10814
197: ok 10815
197: ok 10816
197: ok 10817
197: ok 10818
197: ok 10819
197: ok 10820
197: ok 10821
197: ok 10822
197: ok 10823
197: ok 10824
197: ok 10825
197: ok 10826
197: ok 10827
197: ok 10828
197: ok 10829
197: ok 10830
197: ok 10831
197: ok 10832
197: ok 10833
197: ok 10834
197: ok 10835
197: ok 10836
197: ok 10837
197: ok 10838
197: ok 10839
197: ok 10840
197: ok 10841
197: ok 10842
197: ok 10843
197: ok 10844
197: ok 10845
197: ok 10846
197: ok 10847
197: ok 10848
197: ok 10849
197: ok 10850
197: ok 10851
197: ok 10852
197: ok 10853
197: ok 10854
197: ok 10855
197: ok 10856
197: ok 10857
197: ok 10858
197: ok 10859
197: ok 10860
197: ok 10861
197: ok 10862
197: ok 10863
197: ok 10864
197: ok 10865
197: ok 10866
197: ok 10867
197: ok 10868
197: ok 10869
197: ok 10870
197: ok 10871
197: ok 10872
197: ok 10873
197: ok 10874
197: ok 10875
197: ok 10876
197: ok 10877
197: ok 10878
197: ok 10879
197: ok 10880
197: ok 10881
197: ok 10882
197: ok 10883
197: ok 10884
197: ok 10885
197: ok 10886
197: ok 10887
197: ok 10888
197: ok 10889
197: ok 10890
197: ok 10891
197: ok 10892
197: ok 10893
197: ok 10894
197: ok 10895
197: ok 10896
197: ok 10897
197: ok 10898
197: ok 10899
197: ok 10900
197: ok 10901
197: ok 10902
197: ok 10903
197: ok 10904
197: ok 10905
197: ok 10906
197: ok 10907
197: ok 10908
197: ok 10909
197: ok 10910
197: ok 10911
197: ok 10912
197: ok 10913
197: ok 10914
197: ok 10915
197: ok 10916
197: ok 10917
197: ok 10918
197: ok 10919
197: ok 10920
197: ok 10921
197: ok 10922
197: ok 10923
197: ok 10924
197: ok 10925
197: ok 10926
197: ok 10927
197: ok 10928
197: ok 10929
197: ok 10930
197: ok 10931
197: ok 10932
197: ok 10933
197: ok 10934
197: ok 10935
197: ok 10936
197: ok 10937
197: ok 10938
197: ok 10939
197: ok 10940
197: ok 10941
197: ok 10942
197: ok 10943
197: ok 10944
197: ok 10945
197: ok 10946
197: ok 10947
197: ok 10948
197: ok 10949
197: ok 10950
197: ok 10951
197: ok 10952
197: ok 10953
197: ok 10954
197: ok 10955
197: ok 10956
197: ok 10957
197: ok 10958
197: ok 10959
197: ok 10960
197: ok 10961
197: ok 10962
197: ok 10963
197: ok 10964
197: ok 10965
197: ok 10966
197: ok 10967
197: ok 10968
197: ok 10969
197: ok 10970
197: ok 10971
197: ok 10972
197: ok 10973
197: ok 10974
197: ok 10975
197: ok 10976
197: ok 10977
197: ok 10978
197: ok 10979
197: ok 10980
197: ok 10981
197: ok 10982
197: ok 10983
197: ok 10984
197: ok 10985
197: ok 10986
197: ok 10987
197: ok 10988
197: ok 10989
197: ok 10990
197: ok 10991
197: ok 10992
197: ok 10993
197: ok 10994
197: ok 10995
197: ok 10996
197: ok 10997
197: ok 10998
197: ok 10999
197: ok 11000
197: ok 11001
197: ok 11002
197: ok 11003
197: ok 11004
197: ok 11005
197: ok 11006
197: ok 11007
197: ok 11008
197: ok 11009
197: ok 11010
197: ok 11011
197: ok 11012
197: ok 11013
197: ok 11014
197: ok 11015
197: ok 11016
197: ok 11017
197: ok 11018
197: ok 11019
197: ok 11020
197: ok 11021
197: ok 11022
197: ok 11023
197: ok 11024
197: ok 11025
197: ok 11026
197: ok 11027
197: ok 11028
197: ok 11029
197: ok 11030
197: ok 11031
197: ok 11032
197: ok 11033
197: ok 11034
197: ok 11035
197: ok 11036
197: ok 11037
197: ok 11038
197: ok 11039
197: ok 11040
197: ok 11041
197: ok 11042
197: ok 11043
197: ok 11044
197: ok 11045
197: ok 11046
197: ok 11047
197: ok 11048
197: ok 11049
197: ok 11050
197: ok 11051
197: ok 11052
197: ok 11053
197: ok 11054
197: ok 11055
197: ok 11056
197: ok 11057
197: ok 11058
197: ok 11059
197: ok 11060
197: ok 11061
197: ok 11062
197: ok 11063
197: ok 11064
197: ok 11065
197: ok 11066
197: ok 11067
197: ok 11068
197: ok 11069
197: ok 11070
197: ok 11071
197: ok 11072
197: ok 11073
197: ok 11074
197: ok 11075
197: ok 11076
197: ok 11077
197: ok 11078
197: ok 11079
197: ok 11080
197: ok 11081
197: ok 11082
197: ok 11083
197: ok 11084
197: ok 11085
197: ok 11086
197: ok 11087
197: ok 11088
197: ok 11089
197: ok 11090
197: ok 11091
197: ok 11092
197: ok 11093
197: ok 11094
197: ok 11095
197: ok 11096
197: ok 11097
197: ok 11098
197: ok 11099
197: ok 11100
197: ok 11101
197: ok 11102
197: ok 11103
197: ok 11104
197: ok 11105
197: ok 11106
197: ok 11107
197: ok 11108
197: ok 11109
197: ok 11110
197: ok 11111
197: ok 11112
197: ok 11113
197: ok 11114
197: ok 11115
197: ok 11116
197: ok 11117
197: ok 11118
197: ok 11119
197: ok 11120
197: ok 11121
197: ok 11122
197: ok 11123
197: ok 11124
197: ok 11125
197: ok 11126
197: ok 11127
197: ok 11128
197: ok 11129
197: ok 11130
197: ok 11131
197: ok 11132
197: ok 11133
197: ok 11134
197: ok 11135
197: ok 11136
197: ok 11137
197: ok 11138
197: ok 11139
197: ok 11140
197: ok 11141
197: ok 11142
197: ok 11143
197: ok 11144
197: ok 11145
197: ok 11146
197: ok 11147
197: ok 11148
197: ok 11149
197: ok 11150
197: ok 11151
197: ok 11152
197: ok 11153
197: ok 11154
197: ok 11155
197: ok 11156
197: ok 11157
197: ok 11158
197: ok 11159
197: ok 11160
197: ok 11161
197: ok 11162
197: ok 11163
197: ok 11164
197: ok 11165
197: ok 11166
197: ok 11167
197: ok 11168
197: ok 11169
197: ok 11170
197: ok 11171
197: ok 11172
197: ok 11173
197: ok 11174
197: ok 11175
197: ok 11176
197: ok 11177
197: ok 11178
197: ok 11179
197: ok 11180
197: ok 11181
197: ok 11182
197: ok 11183
197: ok 11184
197: ok 11185
197: ok 11186
197: ok 11187
197: ok 11188
197: ok 11189
197: ok 11190
197: ok 11191
197: ok 11192
197: ok 11193
197: ok 11194
197: ok 11195
197: ok 11196
197: ok 11197
197: ok 11198
197: ok 11199
197: ok 11200
197: ok 11201
197: ok 11202
197: ok 11203
197: ok 11204
197: ok 11205
197: ok 11206
197: ok 11207
197: ok 11208
197: ok 11209
197: ok 11210
197: ok 11211
197: ok 11212
197: ok 11213
197: ok 11214
197: ok 11215
197: ok 11216
197: ok 11217
197: ok 11218
197: ok 11219
197: ok 11220
197: ok 11221
197: ok 11222
197: ok 11223
197: ok 11224
197: ok 11225
197: ok 11226
197: ok 11227
197: ok 11228
197: ok 11229
197: ok 11230
197: ok 11231
197: ok 11232
197: ok 11233
197: ok 11234
197: ok 11235
197: ok 11236
197: ok 11237
197: ok 11238
197: ok 11239
197: ok 11240
197: ok 11241
197: ok 11242
197: ok 11243
197: ok 11244
197: ok 11245
197: ok 11246
197: ok 11247
197: ok 11248
197: ok 11249
197: ok 11250
197: ok 11251
197: ok 11252
197: ok 11253
197: ok 11254
197: ok 11255
197: ok 11256
197: ok 11257
197: ok 11258
197: ok 11259
197: ok 11260
197: ok 11261
197: ok 11262
197: ok 11263
197: ok 11264
197: ok 11265
197: ok 11266
197: ok 11267
197: ok 11268
197: ok 11269
197: ok 11270
197: ok 11271
197: ok 11272
197: ok 11273
197: ok 11274
197: ok 11275
197: ok 11276
197: ok 11277
197: ok 11278
197: ok 11279
197: ok 11280
197: ok 11281
197: ok 11282
197: ok 11283
197: ok 11284
197: ok 11285
197: ok 11286
197: ok 11287
197: ok 11288
197: ok 11289
197: ok 11290
197: ok 11291
197: ok 11292
197: ok 11293
197: ok 11294
197: ok 11295
197: ok 11296
197: ok 11297
197: ok 11298
197: ok 11299
197: ok 11300
197: ok 11301
197: ok 11302
197: ok 11303
197: ok 11304
197: ok 11305
197: ok 11306
197: ok 11307
197: ok 11308
197: ok 11309
197: ok 11310
197: ok 11311
197: ok 11312
197: ok 11313
197: ok 11314
197: ok 11315
197: ok 11316
197: ok 11317
197: ok 11318
197: ok 11319
197: ok 11320
197: ok 11321
197: ok 11322
197: ok 11323
197: ok 11324
197: ok 11325
197: ok 11326
197: ok 11327
197: ok 11328
197: ok 11329
197: ok 11330
197: ok 11331
197: ok 11332
197: ok 11333
197: ok 11334
197: ok 11335
197: ok 11336
197: ok 11337
197: ok 11338
197: ok 11339
197: ok 11340
197: ok 11341
197: ok 11342
197: ok 11343
197: ok 11344
197: ok 11345
197: ok 11346
197: ok 11347
197: ok 11348
197: ok 11349
197: ok 11350
197: ok 11351
197: ok 11352
197: ok 11353
197: ok 11354
197: ok 11355
197: ok 11356
197: ok 11357
197: ok 11358
197: ok 11359
197: ok 11360
197: ok 11361
197: ok 11362
197: ok 11363
197: ok 11364
197: ok 11365
197: ok 11366
197: ok 11367
197: ok 11368
197: ok 11369
197: ok 11370
197: ok 11371
197: ok 11372
197: ok 11373
197: ok 11374
197: ok 11375
197: ok 11376
197: ok 11377
197: ok 11378
197: ok 11379
197: ok 11380
197: ok 11381
197: ok 11382
197: ok 11383
197: ok 11384
197: ok 11385
197: ok 11386
197: ok 11387
197: ok 11388
197: ok 11389
197: ok 11390
197: ok 11391
197: ok 11392
197: ok 11393
197: ok 11394
197: ok 11395
197: ok 11396
197: ok 11397
197: ok 11398
197: ok 11399
197: ok 11400
197: ok 11401
197: ok 11402
197: ok 11403
197: ok 11404
197: ok 11405
197: ok 11406
197: ok 11407
197: ok 11408
197: ok 11409
197: ok 11410
197: ok 11411
197: ok 11412
197: ok 11413
197: ok 11414
197: ok 11415
197: ok 11416
197: ok 11417
197: ok 11418
197: ok 11419
197: ok 11420
197: ok 11421
197: ok 11422
197: ok 11423
197: ok 11424
197: ok 11425
197: ok 11426
197: ok 11427
197: ok 11428
197: ok 11429
197: ok 11430
197: ok 11431
197: ok 11432
197: ok 11433
197: ok 11434
197: ok 11435
197: ok 11436
197: ok 11437
197: ok 11438
197: ok 11439
197: ok 11440
197: ok 11441
197: ok 11442
197: ok 11443
197: ok 11444
197: ok 11445
197: ok 11446
197: ok 11447
197: ok 11448
197: ok 11449
197: ok 11450
197: ok 11451
197: ok 11452
197: ok 11453
197: ok 11454
197: ok 11455
197: ok 11456
197: ok 11457
197: ok 11458
197: ok 11459
197: ok 11460
197: ok 11461
197: ok 11462
197: ok 11463
197: ok 11464
197: ok 11465
197: ok 11466
197: ok 11467
197: ok 11468
197: ok 11469
197: ok 11470
197: ok 11471
197: ok 11472
197: ok 11473
197: ok 11474
197: ok 11475
197: ok 11476
197: ok 11477
197: ok 11478
197: ok 11479
197: ok 11480
197: ok 11481
197: ok 11482
197: ok 11483
197: ok 11484
197: ok 11485
197: ok 11486
197: ok 11487
197: ok 11488
197: ok 11489
197: ok 11490
197: ok 11491
197: ok 11492
197: ok 11493
197: ok 11494
197: ok 11495
197: ok 11496
197: ok 11497
197: ok 11498
197: ok 11499
197: ok 11500
197: ok 11501
197: ok 11502
197: ok 11503
197: ok 11504
197: ok 11505
197: ok 11506
197: ok 11507
197: ok 11508
197: ok 11509
197: ok 11510
197: ok 11511
197: ok 11512
197: ok 11513
197: ok 11514
197: ok 11515
197: ok 11516
197: ok 11517
197: ok 11518
197: ok 11519
197: ok 11520
197: ok 11521
197: ok 11522
197: ok 11523
197: ok 11524
197: ok 11525
197: ok 11526
197: ok 11527
197: ok 11528
197: ok 11529
197: ok 11530
197: ok 11531
197: ok 11532
197: ok 11533
197: ok 11534
197: ok 11535
197: ok 11536
197: ok 11537
197: ok 11538
197: ok 11539
197: ok 11540
197: ok 11541
197: ok 11542
197: ok 11543
197: ok 11544
197: ok 11545
197: ok 11546
197: ok 11547
197: ok 11548
197: ok 11549
197: ok 11550
197: ok 11551
197: ok 11552
197: ok 11553
197: ok 11554
197: ok 11555
197: ok 11556
197: ok 11557
197: ok 11558
197: ok 11559
197: ok 11560
197: ok 11561
197: ok 11562
197: ok 11563
197: ok 11564
197: ok 11565
197: ok 11566
197: ok 11567
197: ok 11568
197: ok 11569
197: ok 11570
197: ok 11571
197: ok 11572
197: ok 11573
197: ok 11574
197: ok 11575
197: ok 11576
197: ok 11577
197: ok 11578
197: ok 11579
197: ok 11580
197: ok 11581
197: ok 11582
197: ok 11583
197: ok 11584
197: ok 11585
197: ok 11586
197: ok 11587
197: ok 11588
197: ok 11589
197: ok 11590
197: ok 11591
197: ok 11592
197: ok 11593
197: ok 11594
197: ok 11595
197: ok 11596
197: ok 11597
197: ok 11598
197: ok 11599
197: ok 11600
197: ok 11601
197: ok 11602
197: ok 11603
197: ok 11604
197: ok 11605
197: ok 11606
197: ok 11607
197: ok 11608
197: ok 11609
197: ok 11610
197: ok 11611
197: ok 11612
197: ok 11613
197: ok 11614
197: ok 11615
197: ok 11616
197: ok 11617
197: ok 11618
197: ok 11619
197: ok 11620
197: ok 11621
197: ok 11622
197: ok 11623
197: ok 11624
197: ok 11625
197: ok 11626
197: ok 11627
197: ok 11628
197: ok 11629
197: ok 11630
197: ok 11631
197: ok 11632
197: ok 11633
197: ok 11634
197: ok 11635
197: ok 11636
197: ok 11637
197: ok 11638
197: ok 11639
197: ok 11640
197: ok 11641
197: ok 11642
197: ok 11643
197: ok 11644
197: ok 11645
197: ok 11646
197: ok 11647
197: ok 11648
197: ok 11649
197: ok 11650
197: ok 11651
197: ok 11652
197: ok 11653
197: ok 11654
197: ok 11655
197: ok 11656
197: ok 11657
197: ok 11658
197: ok 11659
197: ok 11660
197: ok 11661
197: ok 11662
197: ok 11663
197: ok 11664
197: ok 11665
197: ok 11666
197: ok 11667
197: ok 11668
197: ok 11669
197: ok 11670
197: ok 11671
197: ok 11672
197: ok 11673
197: ok 11674
197: ok 11675
197: ok 11676
197: ok 11677
197: ok 11678
197: ok 11679
197: ok 11680
197: ok 11681
197: ok 11682
197: ok 11683
197: ok 11684
197: ok 11685
197: ok 11686
197: ok 11687
197: ok 11688
197: ok 11689
197: ok 11690
197: ok 11691
197: ok 11692
197: ok 11693
197: ok 11694
197: ok 11695
197: ok 11696
197: ok 11697
197: ok 11698
197: ok 11699
197: ok 11700
197: ok 11701
197: ok 11702
197: ok 11703
197: ok 11704
197: ok 11705
197: ok 11706
197: ok 11707
197: ok 11708
197: ok 11709
197: ok 11710
197: ok 11711
197: ok 11712
197: ok 11713
197: ok 11714
197: ok 11715
197: ok 11716
197: ok 11717
197: ok 11718
197: ok 11719
197: ok 11720
197: ok 11721
197: ok 11722
197: ok 11723
197: ok 11724
197: ok 11725
197: ok 11726
197: ok 11727
197: ok 11728
197: ok 11729
197: ok 11730
197: ok 11731
197: ok 11732
197: ok 11733
197: ok 11734
197: ok 11735
197: ok 11736
197: ok 11737
197: ok 11738
197: ok 11739
197: ok 11740
197: ok 11741
197: ok 11742
197: ok 11743
197: ok 11744
197: ok 11745
197: ok 11746
197: ok 11747
197: ok 11748
197: ok 11749
197: ok 11750
197: ok 11751
197: ok 11752
197: ok 11753
197: ok 11754
197: ok 11755
197: ok 11756
197: ok 11757
197: ok 11758
197: ok 11759
197: ok 11760
197: ok 11761
197: ok 11762
197: ok 11763
197: ok 11764
197: ok 11765
197: ok 11766
197: ok 11767
197: ok 11768
197: ok 11769
197: ok 11770
197: ok 11771
197: ok 11772
197: ok 11773
197: ok 11774
197: ok 11775
197: ok 11776
197: ok 11777
197: ok 11778
197: ok 11779
197: ok 11780
197: ok 11781
197: ok 11782
197: ok 11783
197: ok 11784
197: ok 11785
197: ok 11786
197: ok 11787
197: ok 11788
197: ok 11789
197: ok 11790
197: ok 11791
197: ok 11792
197: ok 11793
197: ok 11794
197: ok 11795
197: ok 11796
197: ok 11797
197: ok 11798
197: ok 11799
197: ok 11800
197: ok 11801
197: ok 11802
197: ok 11803
197: ok 11804
197: ok 11805
197: ok 11806
197: ok 11807
197: ok 11808
197: ok 11809
197: ok 11810
197: ok 11811
197: ok 11812
197: ok 11813
197: ok 11814
197: ok 11815
197: ok 11816
197: ok 11817
197: ok 11818
197: ok 11819
197: ok 11820
197: ok 11821
197: ok 11822
197: ok 11823
197: ok 11824
197: ok 11825
197: ok 11826
197: ok 11827
197: ok 11828
197: ok 11829
197: ok 11830
197: ok 11831
197: ok 11832
197: ok 11833
197: ok 11834
197: ok 11835
197: ok 11836
197: ok 11837
197: ok 11838
197: ok 11839
197: ok 11840
197: ok 11841
197: ok 11842
197: ok 11843
197: ok 11844
197: ok 11845
197: ok 11846
197: ok 11847
197: ok 11848
197: ok 11849
197: ok 11850
197: ok 11851
197: ok 11852
197: ok 11853
197: ok 11854
197: ok 11855
197: ok 11856
197: ok 11857
197: ok 11858
197: ok 11859
197: ok 11860
197: ok 11861
197: ok 11862
197: ok 11863
197: ok 11864
197: ok 11865
197: ok 11866
197: ok 11867
197: ok 11868
197: ok 11869
197: ok 11870
197: ok 11871
197: ok 11872
197: ok 11873
197: ok 11874
197: ok 11875
197: ok 11876
197: ok 11877
197: ok 11878
197: ok 11879
197: ok 11880
197: ok 11881
197: ok 11882
197: ok 11883
197: ok 11884
197: ok 11885
197: ok 11886
197: ok 11887
197: ok 11888
197: ok 11889
197: ok 11890
197: ok 11891
197: ok 11892
197: ok 11893
197: ok 11894
197: ok 11895
197: ok 11896
197: ok 11897
197: ok 11898
197: ok 11899
197: ok 11900
197: ok 11901
197: ok 11902
197: ok 11903
197: ok 11904
197: ok 11905
197: ok 11906
197: ok 11907
197: ok 11908
197: ok 11909
197: ok 11910
197: ok 11911
197: ok 11912
197: ok 11913
197: ok 11914
197: ok 11915
197: ok 11916
197: ok 11917
197: ok 11918
197: ok 11919
197: ok 11920
197: ok 11921
197: ok 11922
197: ok 11923
197: ok 11924
197: ok 11925
197: ok 11926
197: ok 11927
197: ok 11928
197: ok 11929
197: ok 11930
197: ok 11931
197: ok 11932
197: ok 11933
197: ok 11934
197: ok 11935
197: ok 11936
197: ok 11937
197: ok 11938
197: ok 11939
197: ok 11940
197: ok 11941
197: ok 11942
197: ok 11943
197: ok 11944
197: ok 11945
197: ok 11946
197: ok 11947
197: ok 11948
197: ok 11949
197: ok 11950
197: ok 11951
197: ok 11952
197: ok 11953
197: ok 11954
197: ok 11955
197: ok 11956
197: ok 11957
197: ok 11958
197: ok 11959
197: ok 11960
197: ok 11961
197: ok 11962
197: ok 11963
197: ok 11964
197: ok 11965
197: ok 11966
197: ok 11967
197: ok 11968
197: ok 11969
197: ok 11970
197: ok 11971
197: ok 11972
197: ok 11973
197: ok 11974
197: ok 11975
197: ok 11976
197: ok 11977
197: ok 11978
197: ok 11979
197: ok 11980
197: ok 11981
197: ok 11982
197: ok 11983
197: ok 11984
197: ok 11985
197: ok 11986
197: ok 11987
197: ok 11988
197: ok 11989
197: ok 11990
197: ok 11991
197: ok 11992
197: ok 11993
197: ok 11994
197: ok 11995
197: ok 11996
197: ok 11997
197: ok 11998
197: ok 11999
197: ok 12000
197: ok 12001
197: ok 12002
197: ok 12003
197: ok 12004
197: ok 12005
197: ok 12006
197: ok 12007
197: ok 12008
197: ok 12009
197: ok 12010
197: ok 12011
197: ok 12012
197: ok 12013
197: ok 12014
197: ok 12015
197: ok 12016
197: ok 12017
197: ok 12018
197: ok 12019
197: ok 12020
197: ok 12021
197: ok 12022
197: ok 12023
197: ok 12024
197: ok 12025
197: ok 12026
197: ok 12027
197: ok 12028
197: ok 12029
197: ok 12030
197: ok 12031
197: ok 12032
197: ok 12033
197: ok 12034
197: ok 12035
197: ok 12036
197: ok 12037
197: ok 12038
197: ok 12039
197: ok 12040
197: ok 12041
197: ok 12042
197: ok 12043
197: ok 12044
197: ok 12045
197: ok 12046
197: ok 12047
197: ok 12048
197: ok 12049
197: ok 12050
197: ok 12051
197: ok 12052
197: ok 12053
197: ok 12054
197: ok 12055
197: ok 12056
197: ok 12057
197: ok 12058
197: ok 12059
197: ok 12060
197: ok 12061
197: ok 12062
197: ok 12063
197: ok 12064
197: ok 12065
197: ok 12066
197: ok 12067
197: ok 12068
197: ok 12069
197: ok 12070
197: ok 12071
197: ok 12072
197: ok 12073
197: ok 12074
197: ok 12075
197: ok 12076
197: ok 12077
197: ok 12078
197: ok 12079
197: ok 12080
197: ok 12081
197: ok 12082
197: ok 12083
197: ok 12084
197: ok 12085
197: ok 12086
197: ok 12087
197: ok 12088
197: ok 12089
197: ok 12090
197: ok 12091
197: ok 12092
197: ok 12093
197: ok 12094
197: ok 12095
197: ok 12096
197: ok 12097
197: ok 12098
197: ok 12099
197: ok 12100
197: ok 12101
197: ok 12102
197: ok 12103
197: ok 12104
197: ok 12105
197: ok 12106
197: ok 12107
197: ok 12108
197: ok 12109
197: ok 12110
197: ok 12111
197: ok 12112
197: ok 12113
197: ok 12114
197: ok 12115
197: ok 12116
197: ok 12117
197: ok 12118
197: ok 12119
197: ok 12120
197: ok 12121
197: ok 12122
197: ok 12123
197: ok 12124
197: ok 12125
197: ok 12126
197: ok 12127
197: ok 12128
197: ok 12129
197: ok 12130
197: ok 12131
197: ok 12132
197: ok 12133
197: ok 12134
197: ok 12135
197: ok 12136
197: ok 12137
197: ok 12138
197: ok 12139
197: ok 12140
197: ok 12141
197: ok 12142
197: ok 12143
197: ok 12144
197: ok 12145
197: ok 12146
197: ok 12147
197: ok 12148
197: ok 12149
197: ok 12150
197: ok 12151
197: ok 12152
197: ok 12153
197: ok 12154
197: ok 12155
197: ok 12156
197: ok 12157
197: ok 12158
197: ok 12159
197: ok 12160
197: ok 12161
197: ok 12162
197: ok 12163
197: ok 12164
197: ok 12165
197: ok 12166
197: ok 12167
197: ok 12168
197: ok 12169
197: ok 12170
197: ok 12171
197: ok 12172
197: ok 12173
197: ok 12174
197: ok 12175
197: ok 12176
197: ok 12177
197: ok 12178
197: ok 12179
197: ok 12180
197: ok 12181
197: ok 12182
197: ok 12183
197: ok 12184
197: ok 12185
197: ok 12186
197: ok 12187
197: ok 12188
197: ok 12189
197: ok 12190
197: ok 12191
197: ok 12192
197: ok 12193
197: ok 12194
197: ok 12195
197: ok 12196
197: ok 12197
197: ok 12198
197: ok 12199
197: ok 12200
197: ok 12201
197: ok 12202
197: ok 12203
197: ok 12204
197: ok 12205
197: ok 12206
197: ok 12207
197: ok 12208
197: ok 12209
197: ok 12210
197: ok 12211
197: ok 12212
197: ok 12213
197: ok 12214
197: ok 12215
197: ok 12216
197: ok 12217
197: ok 12218
197: ok 12219
197: ok 12220
197: ok 12221
197: ok 12222
197: ok 12223
197: ok 12224
197: ok 12225
197: ok 12226
197: ok 12227
197: ok 12228
197: ok 12229
197: ok 12230
197: ok 12231
197: ok 12232
197: ok 12233
197: ok 12234
197: ok 12235
197: ok 12236
197: ok 12237
197: ok 12238
197: ok 12239
197: ok 12240
197: ok 12241
197: ok 12242
197: ok 12243
197: ok 12244
197: ok 12245
197: ok 12246
197: ok 12247
197: ok 12248
197: ok 12249
197: ok 12250
197: ok 12251
197: ok 12252
197: ok 12253
197: ok 12254
197: ok 12255
197: ok 12256
197: ok 12257
197: ok 12258
197: ok 12259
197: ok 12260
197: ok 12261
197: ok 12262
197: ok 12263
197: ok 12264
197: ok 12265
197: ok 12266
197: ok 12267
197: ok 12268
197: ok 12269
197: ok 12270
197: ok 12271
197: ok 12272
197: ok 12273
197: ok 12274
197: ok 12275
197: ok 12276
197: ok 12277
197: ok 12278
197: ok 12279
197: ok 12280
197: ok 12281
197: ok 12282
197: ok 12283
197: ok 12284
197: ok 12285
197: ok 12286
197: ok 12287
197: ok 12288
197: ok 12289
197: ok 12290
197: ok 12291
197: ok 12292
197: ok 12293
197: ok 12294
197: ok 12295
197: ok 12296
197: ok 12297
197: ok 12298
197: ok 12299
197: ok 12300
197: ok 12301
197: ok 12302
197: ok 12303
197: ok 12304
197: ok 12305
197: ok 12306
197: ok 12307
197: ok 12308
197: ok 12309
197: ok 12310
197: ok 12311
197: ok 12312
197: ok 12313
197: ok 12314
197: ok 12315
197: ok 12316
197: ok 12317
197: ok 12318
197: ok 12319
197: ok 12320
197: ok 12321
197: ok 12322
197: ok 12323
197: ok 12324
197: ok 12325
197: ok 12326
197: ok 12327
197: ok 12328
197: ok 12329
197: ok 12330
197: ok 12331
197: ok 12332
197: ok 12333
197: ok 12334
197: ok 12335
197: ok 12336
197: ok 12337
197: ok 12338
197: ok 12339
197: ok 12340
197: ok 12341
197: ok 12342
197: ok 12343
197: ok 12344
197: ok 12345
197: ok 12346
197: ok 12347
197: ok 12348
197: ok 12349
197: ok 12350
197: ok 12351
197: ok 12352
197: ok 12353
197: ok 12354
197: ok 12355
197: ok 12356
197: ok 12357
197: ok 12358
197: ok 12359
197: ok 12360
197: ok 12361
197: ok 12362
197: ok 12363
197: ok 12364
197: ok 12365
197: ok 12366
197: ok 12367
197: ok 12368
197: ok 12369
197: ok 12370
197: ok 12371
197: ok 12372
197: ok 12373
197: ok 12374
197: ok 12375
197: ok 12376
197: ok 12377
197: ok 12378
197: ok 12379
197: ok 12380
197: ok 12381
197: ok 12382
197: ok 12383
197: ok 12384
197: ok 12385
197: ok 12386
197: ok 12387
197: ok 12388
197: ok 12389
197: ok 12390
197: ok 12391
197: ok 12392
197: ok 12393
197: ok 12394
197: ok 12395
197: ok 12396
197: ok 12397
197: ok 12398
197: ok 12399
197: ok 12400
197: ok 12401
197: ok 12402
197: ok 12403
197: ok 12404
197: ok 12405
197: ok 12406
197: ok 12407
197: ok 12408
197: ok 12409
197: ok 12410
197: ok 12411
197: ok 12412
197: ok 12413
197: ok 12414
197: ok 12415
197: ok 12416
197: ok 12417
197: ok 12418
197: ok 12419
197: ok 12420
197: ok 12421
197: ok 12422
197: ok 12423
197: ok 12424
197: ok 12425
197: ok 12426
197: ok 12427
197: ok 12428
197: ok 12429
197: ok 12430
197: ok 12431
197: ok 12432
197: ok 12433
197: ok 12434
197: ok 12435
197: ok 12436
197: ok 12437
197: ok 12438
197: ok 12439
197: ok 12440
197: ok 12441
197: ok 12442
197: ok 12443
197: ok 12444
197: ok 12445
197: ok 12446
197: ok 12447
197: ok 12448
197: ok 12449
197: ok 12450
197: ok 12451
197: ok 12452
197: ok 12453
197: ok 12454
197: ok 12455
197: ok 12456
197: ok 12457
197: ok 12458
197: ok 12459
197: ok 12460
197: ok 12461
197: ok 12462
197: ok 12463
197: ok 12464
197: ok 12465
197: ok 12466
197: ok 12467
197: ok 12468
197: ok 12469
197: ok 12470
197: ok 12471
197: ok 12472
197: ok 12473
197: ok 12474
197: ok 12475
197: ok 12476
197: ok 12477
197: ok 12478
197: ok 12479
197: ok 12480
197: ok 12481
197: ok 12482
197: ok 12483
197: ok 12484
197: ok 12485
197: ok 12486
197: ok 12487
197: ok 12488
197: ok 12489
197: ok 12490
197: ok 12491
197: ok 12492
197: ok 12493
197: ok 12494
197: ok 12495
197: ok 12496
197: ok 12497
197: ok 12498
197: ok 12499
197: ok 12500
197: ok 12501
197: ok 12502
197: ok 12503
197: ok 12504
197: ok 12505
197: ok 12506
197: ok 12507
197: ok 12508
197: ok 12509
197: ok 12510
197: ok 12511
197: ok 12512
197: ok 12513
197: ok 12514
197: ok 12515
197: ok 12516
197: ok 12517
197: ok 12518
197: ok 12519
197: ok 12520
197: ok 12521
197: ok 12522
197: ok 12523
197: ok 12524
197: ok 12525
197: ok 12526
197: ok 12527
197: ok 12528
197: ok 12529
197: ok 12530
197: ok 12531
197: ok 12532
197: ok 12533
197: ok 12534
197: ok 12535
197: ok 12536
197: ok 12537
197: ok 12538
197: ok 12539
197: ok 12540
197: ok 12541
197: ok 12542
197: ok 12543
197: ok 12544
197: ok 12545
197: ok 12546
197: ok 12547
197: ok 12548
197: ok 12549
197: ok 12550
197: ok 12551
197: ok 12552
197: ok 12553
197: ok 12554
197: ok 12555
197: ok 12556
197: ok 12557
197: ok 12558
197: ok 12559
197: ok 12560
197: ok 12561
197: ok 12562
197: ok 12563
197: ok 12564
197: ok 12565
197: ok 12566
197: ok 12567
197: ok 12568
197: ok 12569
197: ok 12570
197: ok 12571
197: ok 12572
197: ok 12573
197: ok 12574
197: ok 12575
197: ok 12576
197: ok 12577
197: ok 12578
197: ok 12579
197: ok 12580
197: ok 12581
197: ok 12582
197: ok 12583
197: ok 12584
197: ok 12585
197: ok 12586
197: ok 12587
197: ok 12588
197: ok 12589
197: ok 12590
197: ok 12591
197: ok 12592
197: ok 12593
197: ok 12594
197: ok 12595
197: ok 12596
197: ok 12597
197: ok 12598
197: ok 12599
197: ok 12600
197: ok 12601
197: ok 12602
197: ok 12603
197: ok 12604
197: ok 12605
197: ok 12606
197: ok 12607
197: ok 12608
197: ok 12609
197: ok 12610
197: ok 12611
197: ok 12612
197: ok 12613
197: ok 12614
197: ok 12615
197: ok 12616
197: ok 12617
197: ok 12618
197: ok 12619
197: ok 12620
197: ok 12621
197: ok 12622
197: ok 12623
197: ok 12624
197: ok 12625
197: ok 12626
197: ok 12627
197: ok 12628
197: ok 12629
197: ok 12630
197: ok 12631
197: ok 12632
197: ok 12633
197: ok 12634
197: ok 12635
197: ok 12636
197: ok 12637
197: ok 12638
197: ok 12639
197: ok 12640
197: ok 12641
197: ok 12642
197: ok 12643
197: ok 12644
197: ok 12645
197: ok 12646
197: ok 12647
197: ok 12648
197: ok 12649
197: ok 12650
197: ok 12651
197: ok 12652
197: ok 12653
197: ok 12654
197: ok 12655
197: ok 12656
197: ok 12657
197: ok 12658
197: ok 12659
197: ok 12660
197: ok 12661
197: ok 12662
197: ok 12663
197: ok 12664
197: ok 12665
197: ok 12666
197: ok 12667
197: ok 12668
197: ok 12669
197: ok 12670
197: ok 12671
197: ok 12672
197: ok 12673
197: ok 12674
197: ok 12675
197: ok 12676
197: ok 12677
197: ok 12678
197: ok 12679
197: ok 12680
197: ok 12681
197: ok 12682
197: ok 12683
197: ok 12684
197: ok 12685
197: ok 12686
197: ok 12687
197: ok 12688
197: ok 12689
197: ok 12690
197: ok 12691
197: ok 12692
197: ok 12693
197: ok 12694
197: ok 12695
197: ok 12696
197: ok 12697
197: ok 12698
197: ok 12699
197: ok 12700
197: ok 12701
197: ok 12702
197: ok 12703
197: ok 12704
197: ok 12705
197: ok 12706
197: ok 12707
197: ok 12708
197: ok 12709
197: ok 12710
197: ok 12711
197: ok 12712
197: ok 12713
197: ok 12714
197: ok 12715
197: ok 12716
197: ok 12717
197: ok 12718
197: ok 12719
197: ok 12720
197: ok 12721
197: ok 12722
197: ok 12723
197: ok 12724
197: ok 12725
197: ok 12726
197: ok 12727
197: ok 12728
197: ok 12729
197: ok 12730
197: ok 12731
197: ok 12732
197: ok 12733
197: ok 12734
197: ok 12735
197: ok 12736
197: ok 12737
197: ok 12738
197: ok 12739
197: ok 12740
197: ok 12741
197: ok 12742
197: ok 12743
197: ok 12744
197: ok 12745
197: ok 12746
197: ok 12747
197: ok 12748
197: ok 12749
197: ok 12750
197: ok 12751
197: ok 12752
197: ok 12753
197: ok 12754
197: ok 12755
197: ok 12756
197: ok 12757
197: ok 12758
197: ok 12759
197: ok 12760
197: ok 12761
197: ok 12762
197: ok 12763
197: ok 12764
197: ok 12765
197: ok 12766
197: ok 12767
197: ok 12768
197: ok 12769
197: ok 12770
197: ok 12771
197: ok 12772
197: ok 12773
197: ok 12774
197: ok 12775
197: ok 12776
197: ok 12777
197: ok 12778
197: ok 12779
197: ok 12780
197: ok 12781
197: ok 12782
197: ok 12783
197: ok 12784
197: ok 12785
197: ok 12786
197: ok 12787
197: ok 12788
197: ok 12789
197: ok 12790
197: ok 12791
197: ok 12792
197: ok 12793
197: ok 12794
197: ok 12795
197: ok 12796
197: ok 12797
197: ok 12798
197: ok 12799
197: ok 12800
197: ok 12801
197: ok 12802
197: ok 12803
197: ok 12804
197: ok 12805
197: ok 12806
197: ok 12807
197: ok 12808
197: ok 12809
197: ok 12810
197: ok 12811
197: ok 12812
197: ok 12813
197: ok 12814
197: ok 12815
197: ok 12816
197: ok 12817
197: ok 12818
197: ok 12819
197: ok 12820
197: ok 12821
197: ok 12822
197: ok 12823
197: ok 12824
197: ok 12825
197: ok 12826
197: ok 12827
197: ok 12828
197: ok 12829
197: ok 12830
197: ok 12831
197: ok 12832
197: ok 12833
197: ok 12834
197: ok 12835
197: ok 12836
197: ok 12837
197: ok 12838
197: ok 12839
197: ok 12840
197: ok 12841
197: ok 12842
197: ok 12843
197: ok 12844
197: ok 12845
197: ok 12846
197: ok 12847
197: ok 12848
197: ok 12849
197: ok 12850
197: ok 12851
197: ok 12852
197: ok 12853
197: ok 12854
197: ok 12855
197: ok 12856
197: ok 12857
197: ok 12858
197: ok 12859
197: ok 12860
197: ok 12861
197: ok 12862
197: ok 12863
197: ok 12864
197: ok 12865
197: ok 12866
197: ok 12867
197: ok 12868
197: ok 12869
197: ok 12870
197: ok 12871
197: ok 12872
197: ok 12873
197: ok 12874
197: ok 12875
197: ok 12876
197: ok 12877
197: ok 12878
197: ok 12879
197: ok 12880
197: ok 12881
197: ok 12882
197: ok 12883
197: ok 12884
197: ok 12885
197: ok 12886
197: ok 12887
197: ok 12888
197: ok 12889
197: ok 12890
197: ok 12891
197: ok 12892
197: ok 12893
197: ok 12894
197: ok 12895
197: ok 12896
197: ok 12897
197: ok 12898
197: ok 12899
197: ok 12900
197: ok 12901
197: ok 12902
197: ok 12903
197: ok 12904
197: ok 12905
197: ok 12906
197: ok 12907
197: ok 12908
197: ok 12909
197: ok 12910
197: ok 12911
197: ok 12912
197: ok 12913
197: ok 12914
197: ok 12915
197: ok 12916
197: ok 12917
197: ok 12918
197: ok 12919
197: ok 12920
197: ok 12921
197: ok 12922
197: ok 12923
197: ok 12924
197: ok 12925
197: ok 12926
197: ok 12927
197: ok 12928
197: ok 12929
197: ok 12930
197: ok 12931
197: ok 12932
197: ok 12933
197: ok 12934
197: ok 12935
197: ok 12936
197: ok 12937
197: ok 12938
197: ok 12939
197: ok 12940
197: ok 12941
197: ok 12942
197: ok 12943
197: ok 12944
197: ok 12945
197: ok 12946
197: ok 12947
197: ok 12948
197: ok 12949
197: ok 12950
197: ok 12951
197: ok 12952
197: ok 12953
197: ok 12954
197: ok 12955
197: ok 12956
197: ok 12957
197: ok 12958
197: ok 12959
197: ok 12960
197: ok 12961
197: ok 12962
197: ok 12963
197: ok 12964
197: ok 12965
197: ok 12966
197: ok 12967
197: ok 12968
197: ok 12969
197: ok 12970
197: ok 12971
197: ok 12972
197: ok 12973
197: ok 12974
197: ok 12975
197: ok 12976
197: ok 12977
197: ok 12978
197: ok 12979
197: ok 12980
197: ok 12981
197: ok 12982
197: ok 12983
197: ok 12984
197: ok 12985
197: ok 12986
197: ok 12987
197: ok 12988
197: ok 12989
197: ok 12990
197: ok 12991
197: ok 12992
197: ok 12993
197: ok 12994
197: ok 12995
197: ok 12996
197: ok 12997
197: ok 12998
197: ok 12999
197: ok 13000
197: ok 13001
197: ok 13002
197: ok 13003
197: ok 13004
197: ok 13005
197: ok 13006
197: ok 13007
197: ok 13008
197: ok 13009
197: ok 13010
197: ok 13011
197: ok 13012
197: ok 13013
197: ok 13014
197: ok 13015
197: ok 13016
197: ok 13017
197: ok 13018
197: ok 13019
197: ok 13020
197: ok 13021
197: ok 13022
197: ok 13023
197: ok 13024
197: ok 13025
197: ok 13026
197: ok 13027
197: ok 13028
197: ok 13029
197: ok 13030
197: ok 13031
197: ok 13032
197: ok 13033
197: ok 13034
197: ok 13035
197: ok 13036
197: ok 13037
197: ok 13038
197: ok 13039
197: ok 13040
197: ok 13041
197: ok 13042
197: ok 13043
197: ok 13044
197: ok 13045
197: ok 13046
197: ok 13047
197: ok 13048
197: ok 13049
197: ok 13050
197: ok 13051
197: ok 13052
197: ok 13053
197: ok 13054
197: ok 13055
197: ok 13056
197: ok 13057
197: ok 13058
197: ok 13059
197: ok 13060
197: ok 13061
197: ok 13062
197: ok 13063
197: ok 13064
197: ok 13065
197: ok 13066
197: ok 13067
197: ok 13068
197: ok 13069
197: ok 13070
197: ok 13071
197: ok 13072
197: ok 13073
197: ok 13074
197: ok 13075
197: ok 13076
197: ok 13077
197: ok 13078
197: ok 13079
197: ok 13080
197: ok 13081
197: ok 13082
197: ok 13083
197: ok 13084
197: ok 13085
197: ok 13086
197: ok 13087
197: ok 13088
197: ok 13089
197: ok 13090
197: ok 13091
197: ok 13092
197: ok 13093
197: ok 13094
197: ok 13095
197: ok 13096
197: ok 13097
197: ok 13098
197: ok 13099
197: ok 13100
197: ok 13101
197: ok 13102
197: ok 13103
197: ok 13104
197: ok 13105
197: ok 13106
197: ok 13107
197: ok 13108
197: ok 13109
197: ok 13110
197: ok 13111
197: ok 13112
197: ok 13113
197: ok 13114
197: ok 13115
197: ok 13116
197: ok 13117
197: ok 13118
197: ok 13119
197: ok 13120
197: ok 13121
197: ok 13122
197: ok 13123
197: ok 13124
197: ok 13125
197: ok 13126
197: ok 13127
197: ok 13128
197: ok 13129
197: ok 13130
197: ok 13131
197: ok 13132
197: ok 13133
197: ok 13134
197: ok 13135
197: ok 13136
197: ok 13137
197: ok 13138
197: ok 13139
197: ok 13140
197: ok 13141
197: ok 13142
197: ok 13143
197: ok 13144
197: ok 13145
197: ok 13146
197: ok 13147
197: ok 13148
197: ok 13149
197: ok 13150
197: ok 13151
197: ok 13152
197: ok 13153
197: ok 13154
197: ok 13155
197: ok 13156
197: ok 13157
197: ok 13158
197: ok 13159
197: ok 13160
197: ok 13161
197: ok 13162
197: ok 13163
197: ok 13164
197: ok 13165
197: ok 13166
197: ok 13167
197: ok 13168
197: ok 13169
197: ok 13170
197: ok 13171
197: ok 13172
197: ok 13173
197: ok 13174
197: ok 13175
197: ok 13176
197: ok 13177
197: ok 13178
197: ok 13179
197: ok 13180
197: ok 13181
197: ok 13182
197: ok 13183
197: ok 13184
197: ok 13185
197: ok 13186
197: ok 13187
197: ok 13188
197: ok 13189
197: ok 13190
197: ok 13191
197: ok 13192
197: ok 13193
197: ok 13194
197: ok 13195
197: ok 13196
197: ok 13197
197: ok 13198
197: ok 13199
197: ok 13200
197: ok 13201
197: ok 13202
197: ok 13203
197: ok 13204
197: ok 13205
197: ok 13206
197: ok 13207
197: ok 13208
197: ok 13209
197: ok 13210
197: ok 13211
197: ok 13212
197: ok 13213
197: ok 13214
197: ok 13215
197: ok 13216
197: ok 13217
197: ok 13218
197: ok 13219
197: ok 13220
197: ok 13221
197: ok 13222
197: ok 13223
197: ok 13224
197: ok 13225
197: ok 13226
197: ok 13227
197: ok 13228
197: ok 13229
197: ok 13230
197: ok 13231
197: ok 13232
197: ok 13233
197: ok 13234
197: ok 13235
197: ok 13236
197: ok 13237
197: ok 13238
197: ok 13239
197: ok 13240
197: ok 13241
197: ok 13242
197: ok 13243
197: ok 13244
197: ok 13245
197: ok 13246
197: ok 13247
197: ok 13248
197: ok 13249
197: ok 13250
197: ok 13251
197: ok 13252
197: ok 13253
197: ok 13254
197: ok 13255
197: ok 13256
197: ok 13257
197: ok 13258
197: ok 13259
197: ok 13260
197: ok 13261
197: ok 13262
197: ok 13263
197: ok 13264
197: ok 13265
197: ok 13266
197: ok 13267
197: ok 13268
197: ok 13269
197: ok 13270
197: ok 13271
197: ok 13272
197: ok 13273
197: ok 13274
197: ok 13275
197: ok 13276
197: ok 13277
197: ok 13278
197: ok 13279
197: ok 13280
197: ok 13281
197: ok 13282
197: ok 13283
197: ok 13284
197: ok 13285
197: ok 13286
197: ok 13287
197: ok 13288
197: ok 13289
197: ok 13290
197: ok 13291
197: ok 13292
197: ok 13293
197: ok 13294
197: ok 13295
197: ok 13296
197: ok 13297
197: ok 13298
197: ok 13299
197: ok 13300
197: ok 13301
197: ok 13302
197: ok 13303
197: ok 13304
197: ok 13305
197: ok 13306
197: ok 13307
197: ok 13308
197: ok 13309
197: ok 13310
197: ok 13311
197: ok 13312
197: ok 13313
197: ok 13314
197: ok 13315
197: ok 13316
197: ok 13317
197: ok 13318
197: ok 13319
197: ok 13320
197: ok 13321
197: ok 13322
197: ok 13323
197: ok 13324
197: ok 13325
197: ok 13326
197: ok 13327
197: ok 13328
197: ok 13329
197: ok 13330
197: ok 13331
197: ok 13332
197: ok 13333
197: ok 13334
197: ok 13335
197: ok 13336
197: ok 13337
197: ok 13338
197: ok 13339
197: ok 13340
197: ok 13341
197: ok 13342
197: ok 13343
197: ok 13344
197: ok 13345
197: ok 13346
197: ok 13347
197: ok 13348
197: ok 13349
197: ok 13350
197: ok 13351
197: ok 13352
197: ok 13353
197: ok 13354
197: ok 13355
197: ok 13356
197: ok 13357
197: ok 13358
197: ok 13359
197: ok 13360
197: ok 13361
197: ok 13362
197: ok 13363
197: ok 13364
197: ok 13365
197: ok 13366
197: ok 13367
197: ok 13368
197: ok 13369
197: ok 13370
197: ok 13371
197: ok 13372
197: ok 13373
197: ok 13374
197: ok 13375
197: ok 13376
197: ok 13377
197: ok 13378
197: ok 13379
197: ok 13380
197: ok 13381
197: ok 13382
197: ok 13383
197: ok 13384
197: ok 13385
197: ok 13386
197: ok 13387
197: ok 13388
197: ok 13389
197: ok 13390
197: ok 13391
197: ok 13392
197: ok 13393
197: ok 13394
197: ok 13395
197: ok 13396
197: ok 13397
197: ok 13398
197: ok 13399
197: ok 13400
197: ok 13401
197: ok 13402
197: ok 13403
197: ok 13404
197: ok 13405
197: ok 13406
197: ok 13407
197: ok 13408
197: ok 13409
197: ok 13410
197: ok 13411
197: ok 13412
197: ok 13413
197: ok 13414
197: ok 13415
197: ok 13416
197: ok 13417
197: ok 13418
197: ok 13419
197: ok 13420
197: ok 13421
197: ok 13422
197: ok 13423
197: ok 13424
197: ok 13425
197: ok 13426
197: ok 13427
197: ok 13428
197: ok 13429
197: ok 13430
197: ok 13431
197: ok 13432
197: ok 13433
197: ok 13434
197: ok 13435
197: ok 13436
197: ok 13437
197: ok 13438
197: ok 13439
197: ok 13440
197: ok 13441
197: ok 13442
197: ok 13443
197: ok 13444
197: ok 13445
197: ok 13446
197: ok 13447
197: ok 13448
197: ok 13449
197: ok 13450
197: ok 13451
197: ok 13452
197: ok 13453
197: ok 13454
197: ok 13455
197: ok 13456
197: ok 13457
197: ok 13458
197: ok 13459
197: ok 13460
197: ok 13461
197: ok 13462
197: ok 13463
197: ok 13464
197: ok 13465
197: ok 13466
197: ok 13467
197: ok 13468
197: ok 13469
197: ok 13470
197: ok 13471
197: ok 13472
197: ok 13473
197: ok 13474
197: ok 13475
197: ok 13476
197: ok 13477
197: ok 13478
197: ok 13479
197: ok 13480
197: ok 13481
197: ok 13482
197: ok 13483
197: ok 13484
197: ok 13485
197: ok 13486
197: ok 13487
197: ok 13488
197: ok 13489
197: ok 13490
197: ok 13491
197: ok 13492
197: ok 13493
197: ok 13494
197: ok 13495
197: ok 13496
197: ok 13497
197: ok 13498
197: ok 13499
197: ok 13500
197: ok 13501
197: ok 13502
197: ok 13503
197: ok 13504
197: ok 13505
197: ok 13506
197: ok 13507
197: ok 13508
197: ok 13509
197: ok 13510
197: ok 13511
197: ok 13512
197: ok 13513
197: ok 13514
197: ok 13515
197: ok 13516
197: ok 13517
197: ok 13518
197: ok 13519
197: ok 13520
197: ok 13521
197: ok 13522
197: ok 13523
197: ok 13524
197: ok 13525
197: ok 13526
197: ok 13527
197: ok 13528
197: ok 13529
197: ok 13530
197: ok 13531
197: ok 13532
197: ok 13533
197: ok 13534
197: ok 13535
197: ok 13536
197: ok 13537
197: ok 13538
197: ok 13539
197: ok 13540
197: ok 13541
197: ok 13542
197: ok 13543
197: ok 13544
197: ok 13545
197: ok 13546
197: ok 13547
197: ok 13548
197: ok 13549
197: ok 13550
197: ok 13551
197: ok 13552
197: ok 13553
197: ok 13554
197: ok 13555
197: ok 13556
197: ok 13557
197: ok 13558
197: ok 13559
197: ok 13560
197: ok 13561
197: ok 13562
197: ok 13563
197: ok 13564
197: ok 13565
197: ok 13566
197: ok 13567
197: ok 13568
197: ok 13569
197: ok 13570
197: ok 13571
197: ok 13572
197: ok 13573
197: ok 13574
197: ok 13575
197: ok 13576
197: ok 13577
197: ok 13578
197: ok 13579
197: ok 13580
197: ok 13581
197: ok 13582
197: ok 13583
197: ok 13584
197: ok 13585
197: ok 13586
197: ok 13587
197: ok 13588
197: ok 13589
197: ok 13590
197: ok 13591
197: ok 13592
197: ok 13593
197: ok 13594
197: ok 13595
197: ok 13596
197: ok 13597
197: ok 13598
197: ok 13599
197: ok 13600
197: ok 13601
197: ok 13602
197: ok 13603
197: ok 13604
197: ok 13605
197: ok 13606
197: ok 13607
197: ok 13608
197: ok 13609
197: ok 13610
197: ok 13611
197: ok 13612
197: ok 13613
197: ok 13614
197: ok 13615
197: ok 13616
197: ok 13617
197: ok 13618
197: ok 13619
197: ok 13620
197: ok 13621
197: ok 13622
197: ok 13623
197: ok 13624
197: ok 13625
197: ok 13626
197: ok 13627
197: ok 13628
197: ok 13629
197: ok 13630
197: ok 13631
197: ok 13632
197: ok 13633
197: ok 13634
197: ok 13635
197: ok 13636
197: ok 13637
197: ok 13638
197: ok 13639
197: ok 13640
197: ok 13641
197: ok 13642
197: ok 13643
197: ok 13644
197: ok 13645
197: ok 13646
197: ok 13647
197: ok 13648
197: ok 13649
197: ok 13650
197: ok 13651
197: ok 13652
197: ok 13653
197: ok 13654
197: ok 13655
197: ok 13656
197: ok 13657
197: ok 13658
197: ok 13659
197: ok 13660
197: ok 13661
197: ok 13662
197: ok 13663
197: ok 13664
197: ok 13665
197: ok 13666
197: ok 13667
197: ok 13668
197: ok 13669
197: ok 13670
197: ok 13671
197: ok 13672
197: ok 13673
197: ok 13674
197: ok 13675
197: ok 13676
197: ok 13677
197: ok 13678
197: ok 13679
197: ok 13680
197: ok 13681
197: ok 13682
197: ok 13683
197: ok 13684
197: ok 13685
197: ok 13686
197: ok 13687
197: ok 13688
197: ok 13689
197: ok 13690
197: ok 13691
197: ok 13692
197: ok 13693
197: ok 13694
197: ok 13695
197: ok 13696
197: ok 13697
197: ok 13698
197: ok 13699
197: ok 13700
197: ok 13701
197: ok 13702
197: ok 13703
197: ok 13704
197: ok 13705
197: ok 13706
197: ok 13707
197: ok 13708
197: ok 13709
197: ok 13710
197: ok 13711
197: ok 13712
197: ok 13713
197: ok 13714
197: ok 13715
197: ok 13716
197: ok 13717
197: ok 13718
197: ok 13719
197: ok 13720
197: ok 13721
197: ok 13722
197: ok 13723
197: ok 13724
197: ok 13725
197: ok 13726
197: ok 13727
197: ok 13728
197: ok 13729
197: ok 13730
197: ok 13731
197: ok 13732
197: ok 13733
197: ok 13734
197: ok 13735
197: ok 13736
197: ok 13737
197: ok 13738
197: ok 13739
197: ok 13740
197: ok 13741
197: ok 13742
197: ok 13743
197: ok 13744
197: ok 13745
197: ok 13746
197: ok 13747
197: ok 13748
197: ok 13749
197: ok 13750
197: ok 13751
197: ok 13752
197: ok 13753
197: ok 13754
197: ok 13755
197: ok 13756
197: ok 13757
197: ok 13758
197: ok 13759
197: ok 13760
197: ok 13761
197: ok 13762
197: ok 13763
197: ok 13764
197: ok 13765
197: ok 13766
197: ok 13767
197: ok 13768
197: ok 13769
197: ok 13770
197: ok 13771
197: ok 13772
197: ok 13773
197: ok 13774
197: ok 13775
197: ok 13776
197: ok 13777
197: ok 13778
197: ok 13779
197: ok 13780
197: ok 13781
197: ok 13782
197: ok 13783
197: ok 13784
197: ok 13785
197: ok 13786
197: ok 13787
197: ok 13788
197: ok 13789
197: ok 13790
197: ok 13791
197: ok 13792
197: ok 13793
197: ok 13794
197: ok 13795
197: ok 13796
197: ok 13797
197: ok 13798
197: ok 13799
197: ok 13800
197: ok 13801
197: ok 13802
197: ok 13803
197: ok 13804
197: ok 13805
197: ok 13806
197: ok 13807
197: ok 13808
197: ok 13809
197: ok 13810
197: ok 13811
197: ok 13812
197: ok 13813
197: ok 13814
197: ok 13815
197: ok 13816
197: ok 13817
197: ok 13818
197: ok 13819
197: ok 13820
197: ok 13821
197: ok 13822
197: ok 13823
197: ok 13824
197: ok 13825
197: ok 13826
197: ok 13827
197: ok 13828
197: ok 13829
197: ok 13830
197: ok 13831
197: ok 13832
197: ok 13833
197: ok 13834
197: ok 13835
197: ok 13836
197: ok 13837
197: ok 13838
197: ok 13839
197: ok 13840
197: ok 13841
197: ok 13842
197: ok 13843
197: ok 13844
197: ok 13845
197: ok 13846
197: ok 13847
197: ok 13848
197: ok 13849
197: ok 13850
197: ok 13851
197: ok 13852
197: ok 13853
197: ok 13854
197: ok 13855
197: ok 13856
197: ok 13857
197: ok 13858
197: ok 13859
197: ok 13860
197: ok 13861
197: ok 13862
197: ok 13863
197: ok 13864
197: ok 13865
197: ok 13866
197: ok 13867
197: ok 13868
197: ok 13869
197: ok 13870
197: ok 13871
197: ok 13872
197: ok 13873
197: ok 13874
197: ok 13875
197: ok 13876
197: ok 13877
197: ok 13878
197: ok 13879
197: ok 13880
197: ok 13881
197: ok 13882
197: ok 13883
197: ok 13884
197: ok 13885
197: ok 13886
197: ok 13887
197: ok 13888
197: ok 13889
197: ok 13890
197: ok 13891
197: ok 13892
197: ok 13893
197: ok 13894
197: ok 13895
197: ok 13896
197: ok 13897
197: ok 13898
197: ok 13899
197: ok 13900
197: ok 13901
197: ok 13902
197: ok 13903
197: ok 13904
197: ok 13905
197: ok 13906
197: ok 13907
197: ok 13908
197: ok 13909
197: ok 13910
197: ok 13911
197: ok 13912
197: ok 13913
197: ok 13914
197: ok 13915
197: ok 13916
197: ok 13917
197: ok 13918
197: ok 13919
197: ok 13920
197: ok 13921
197: ok 13922
197: ok 13923
197: ok 13924
197: ok 13925
197: ok 13926
197: ok 13927
197: ok 13928
197: ok 13929
197: ok 13930
197: ok 13931
197: ok 13932
197: ok 13933
197: ok 13934
197: ok 13935
197: ok 13936
197: ok 13937
197: ok 13938
197: ok 13939
197: ok 13940
197: ok 13941
197: ok 13942
197: ok 13943
197: ok 13944
197: ok 13945
197: ok 13946
197: ok 13947
197: ok 13948
197: ok 13949
197: ok 13950
197: ok 13951
197: ok 13952
197: ok 13953
197: ok 13954
197: ok 13955
197: ok 13956
197: ok 13957
197: ok 13958
197: ok 13959
197: ok 13960
197: ok 13961
197: ok 13962
197: ok 13963
197: ok 13964
197: ok 13965
197: ok 13966
197: ok 13967
197: ok 13968
197: ok 13969
197: ok 13970
197: ok 13971
197: ok 13972
197: ok 13973
197: ok 13974
197: ok 13975
197: ok 13976
197: ok 13977
197: ok 13978
197: ok 13979
197: ok 13980
197: ok 13981
197: ok 13982
197: ok 13983
197: ok 13984
197: ok 13985
197: ok 13986
197: ok 13987
197: ok 13988
197: ok 13989
197: ok 13990
197: ok 13991
197: ok 13992
197: ok 13993
197: ok 13994
197: ok 13995
197: ok 13996
197: ok 13997
197: ok 13998
197: ok 13999
197: ok 14000
197: ok 14001
197: ok 14002
197: ok 14003
197: ok 14004
197: ok 14005
197: ok 14006
197: ok 14007
197: ok 14008
197: ok 14009
197: ok 14010
197: ok 14011
197: ok 14012
197: ok 14013
197: ok 14014
197: ok 14015
197: ok 14016
197: ok 14017
197: ok 14018
197: ok 14019
197: ok 14020
197: ok 14021
197: ok 14022
197: ok 14023
197: ok 14024
197: ok 14025
197: ok 14026
197: ok 14027
197: ok 14028
197: ok 14029
197: ok 14030
197: ok 14031
197: ok 14032
197: ok 14033
197: ok 14034
197: ok 14035
197: ok 14036
197: ok 14037
197: ok 14038
197: ok 14039
197: ok 14040
197: ok 14041
197: ok 14042
197: ok 14043
197: ok 14044
197: ok 14045
197: ok 14046
197: ok 14047
197: ok 14048
197: ok 14049
197: ok 14050
197: ok 14051
197: ok 14052
197: ok 14053
197: ok 14054
197: ok 14055
197: ok 14056
197: ok 14057
197: ok 14058
197: ok 14059
197: ok 14060
197: ok 14061
197: ok 14062
197: ok 14063
197: ok 14064
197: ok 14065
197: ok 14066
197: ok 14067
197: ok 14068
197: ok 14069
197: ok 14070
197: ok 14071
197: ok 14072
197: ok 14073
197: ok 14074
197: ok 14075
197: ok 14076
197: ok 14077
197: ok 14078
197: ok 14079
197: ok 14080
197: ok 14081
197: ok 14082
197: ok 14083
197: ok 14084
197: ok 14085
197: ok 14086
197: ok 14087
197: ok 14088
197: ok 14089
197: ok 14090
197: ok 14091
197: ok 14092
197: ok 14093
197: ok 14094
197: ok 14095
197: ok 14096
197: ok 14097
197: ok 14098
197: ok 14099
197: ok 14100
197: ok 14101
197: ok 14102
197: ok 14103
197: ok 14104
197: ok 14105
197: ok 14106
197: ok 14107
197: ok 14108
197: ok 14109
197: ok 14110
197: ok 14111
197: ok 14112
197: ok 14113
197: ok 14114
197: ok 14115
197: ok 14116
197: ok 14117
197: ok 14118
197: ok 14119
197: ok 14120
197: ok 14121
197: ok 14122
197: ok 14123
197: ok 14124
197: ok 14125
197: ok 14126
197: ok 14127
197: ok 14128
197: ok 14129
197: ok 14130
197: ok 14131
197: ok 14132
197: ok 14133
197: ok 14134
197: ok 14135
197: ok 14136
197: ok 14137
197: ok 14138
197: ok 14139
197: ok 14140
197: ok 14141
197: ok 14142
197: ok 14143
197: ok 14144
197: ok 14145
197: ok 14146
197: ok 14147
197: ok 14148
197: ok 14149
197: ok 14150
197: ok 14151
197: ok 14152
197: ok 14153
197: ok 14154
197: ok 14155
197: ok 14156
197: ok 14157
197: ok 14158
197: ok 14159
197: ok 14160
197: ok 14161
197: ok 14162
197: ok 14163
197: ok 14164
197: ok 14165
197: ok 14166
197: ok 14167
197: ok 14168
197: ok 14169
197: ok 14170
197: ok 14171
197: ok 14172
197: ok 14173
197: ok 14174
197: ok 14175
197: ok 14176
197: ok 14177
197: ok 14178
197: ok 14179
197: ok 14180
197: ok 14181
197: ok 14182
197: ok 14183
197: ok 14184
197: ok 14185
197: ok 14186
197: ok 14187
197: ok 14188
197: ok 14189
197: ok 14190
197: ok 14191
197: ok 14192
197: ok 14193
197: ok 14194
197: ok 14195
197: ok 14196
197: ok 14197
197: ok 14198
197: ok 14199
197: ok 14200
197: ok 14201
197: ok 14202
197: ok 14203
197: ok 14204
197: ok 14205
197: ok 14206
197: ok 14207
197: ok 14208
197: ok 14209
197: ok 14210
197: ok 14211
197: ok 14212
197: ok 14213
197: ok 14214
197: ok 14215
197: ok 14216
197: ok 14217
197: ok 14218
197: ok 14219
197: ok 14220
197: ok 14221
197: ok 14222
197: ok 14223
197: ok 14224
197: ok 14225
197: ok 14226
197: ok 14227
197: ok 14228
197: ok 14229
197: ok 14230
197: ok 14231
197: ok 14232
197: ok 14233
197: ok 14234
197: ok 14235
197: ok 14236
197: ok 14237
197: ok 14238
197: ok 14239
197: ok 14240
197: ok 14241
197: ok 14242
197: ok 14243
197: ok 14244
197: ok 14245
197: ok 14246
197: ok 14247
197: ok 14248
197: ok 14249
197: ok 14250
197: ok 14251
197: ok 14252
197: ok 14253
197: ok 14254
197: ok 14255
197: ok 14256
197: ok 14257
197: ok 14258
197: ok 14259
197: ok 14260
197: ok 14261
197: ok 14262
197: ok 14263
197: ok 14264
197: ok 14265
197: ok 14266
197: ok 14267
197: ok 14268
197: ok 14269
197: ok 14270
197: ok 14271
197: ok 14272
197: ok 14273
197: ok 14274
197: ok 14275
197: ok 14276
197: ok 14277
197: ok 14278
197: ok 14279
197: ok 14280
197: ok 14281
197: ok 14282
197: ok 14283
197: ok 14284
197: ok 14285
197: ok 14286
197: ok 14287
197: ok 14288
197: ok 14289
197: ok 14290
197: ok 14291
197: ok 14292
197: ok 14293
197: ok 14294
197: ok 14295
197: ok 14296
197: ok 14297
197: ok 14298
197: ok 14299
197: ok 14300
197: ok 14301
197: ok 14302
197: ok 14303
197: ok 14304
197: ok 14305
197: ok 14306
197: ok 14307
197: ok 14308
197: ok 14309
197: ok 14310
197: ok 14311
197: ok 14312
197: ok 14313
197: ok 14314
197: ok 14315
197: ok 14316
197: ok 14317
197: ok 14318
197: ok 14319
197: ok 14320
197: ok 14321
197: ok 14322
197: ok 14323
197: ok 14324
197: ok 14325
197: ok 14326
197: ok 14327
197: ok 14328
197: ok 14329
197: ok 14330
197: ok 14331
197: ok 14332
197: ok 14333
197: ok 14334
197: ok 14335
197: ok 14336
197: ok 14337
197: ok 14338
197: ok 14339
197: ok 14340
197: ok 14341
197: ok 14342
197: ok 14343
197: ok 14344
197: ok 14345
197: ok 14346
197: ok 14347
197: ok 14348
197: ok 14349
197: ok 14350
197: ok 14351
197: ok 14352
197: ok 14353
197: ok 14354
197: ok 14355
197: ok 14356
197: ok 14357
197: ok 14358
197: ok 14359
197: ok 14360
197: ok 14361
197: ok 14362
197: ok 14363
197: ok 14364
197: ok 14365
197: ok 14366
197: ok 14367
197: ok 14368
197: ok 14369
197: ok 14370
197: ok 14371
197: ok 14372
197: ok 14373
197: ok 14374
197: ok 14375
197: ok 14376
197: ok 14377
197: ok 14378
197: ok 14379
197: ok 14380
197: ok 14381
197: ok 14382
197: ok 14383
197: ok 14384
197: ok 14385
197: ok 14386
197: ok 14387
197: ok 14388
197: ok 14389
197: ok 14390
197: ok 14391
197: ok 14392
197: ok 14393
197: ok 14394
197: ok 14395
197: ok 14396
197: ok 14397
197: ok 14398
197: ok 14399
197: ok 14400
197: ok 14401
197: ok 14402
197: ok 14403
197: ok 14404
197: ok 14405
197: ok 14406
197: ok 14407
197: ok 14408
197: ok 14409
197: ok 14410
197: ok 14411
197: ok 14412
197: ok 14413
197: ok 14414
197: ok 14415
197: ok 14416
197: ok 14417
197: ok 14418
197: ok 14419
197: ok 14420
197: ok 14421
197: ok 14422
197: ok 14423
197: ok 14424
197: ok 14425
197: ok 14426
197: ok 14427
197: ok 14428
197: ok 14429
197: ok 14430
197: ok 14431
197: ok 14432
197: ok 14433
197: ok 14434
197: ok 14435
197: ok 14436
197: ok 14437
197: ok 14438
197: ok 14439
197: ok 14440
197: ok 14441
197: ok 14442
197: ok 14443
197: ok 14444
197: ok 14445
197: ok 14446
197: ok 14447
197: ok 14448
197: ok 14449
197: ok 14450
197: ok 14451
197: ok 14452
197: ok 14453
197: ok 14454
197: ok 14455
197: ok 14456
197: ok 14457
197: ok 14458
197: ok 14459
197: ok 14460
197: ok 14461
197: ok 14462
197: ok 14463
197: ok 14464
197: ok 14465
197: ok 14466
197: ok 14467
197: ok 14468
197: ok 14469
197: ok 14470
197: ok 14471
197: ok 14472
197: ok 14473
197: ok 14474
197: ok 14475
197: ok 14476
197: ok 14477
197: ok 14478
197: ok 14479
197: ok 14480
197: ok 14481
197: ok 14482
197: ok 14483
197: ok 14484
197: ok 14485
197: ok 14486
197: ok 14487
197: ok 14488
197: ok 14489
197: ok 14490
197: ok 14491
197: ok 14492
197: ok 14493
197: ok 14494
197: ok 14495
197: ok 14496
197: ok 14497
197: ok 14498
197: ok 14499
197: ok 14500
197: ok 14501
197: ok 14502
197: ok 14503
197: ok 14504
197: ok 14505
197: ok 14506
197: ok 14507
197: ok 14508
197: ok 14509
197: ok 14510
197: ok 14511
197: ok 14512
197: ok 14513
197: ok 14514
197: ok 14515
197: ok 14516
197: ok 14517
197: ok 14518
197: ok 14519
197: ok 14520
197: ok 14521
197: ok 14522
197: ok 14523
197: ok 14524
197: ok 14525
197: ok 14526
197: ok 14527
197: ok 14528
197: ok 14529
197: ok 14530
197: ok 14531
197: ok 14532
197: ok 14533
197: ok 14534
197: ok 14535
197: ok 14536
197: ok 14537
197: ok 14538
197: ok 14539
197: ok 14540
197: ok 14541
197: ok 14542
197: ok 14543
197: ok 14544
197: ok 14545
197: ok 14546
197: ok 14547
197: ok 14548
197: ok 14549
197: ok 14550
197: ok 14551
197: ok 14552
197: ok 14553
197: ok 14554
197: ok 14555
197: ok 14556
197: ok 14557
197: ok 14558
197: ok 14559
197: ok 14560
197: ok 14561
197: ok 14562
197: ok 14563
197: ok 14564
197: ok 14565
197: ok 14566
197: ok 14567
197: ok 14568
197: ok 14569
197: ok 14570
197: ok 14571
197: ok 14572
197: ok 14573
197: ok 14574
197: ok 14575
197: ok 14576
197: ok 14577
197: ok 14578
197: ok 14579
197: ok 14580
197: ok 14581
197: ok 14582
197: ok 14583
197: ok 14584
197: ok 14585
197: ok 14586
197: ok 14587
197: ok 14588
197: ok 14589
197: ok 14590
197: ok 14591
197: ok 14592
197: ok 14593
197: ok 14594
197: ok 14595
197: ok 14596
197: ok 14597
197: ok 14598
197: ok 14599
197: ok 14600
197: ok 14601
197: ok 14602
197: ok 14603
197: ok 14604
197: ok 14605
197: ok 14606
197: ok 14607
197: ok 14608
197: ok 14609
197: ok 14610
197: ok 14611
197: ok 14612
197: ok 14613
197: ok 14614
197: ok 14615
197: ok 14616
197: ok 14617
197: ok 14618
197: ok 14619
197: ok 14620
197: ok 14621
197: ok 14622
197: ok 14623
197: ok 14624
197: ok 14625
197: ok 14626
197: ok 14627
197: ok 14628
197: ok 14629
197: ok 14630
197: ok 14631
197: ok 14632
197: ok 14633
197: ok 14634
197: ok 14635
197: ok 14636
197: ok 14637
197: ok 14638
197: ok 14639
197: ok 14640
197: ok 14641
197: ok 14642
197: ok 14643
197: ok 14644
197: ok 14645
197: ok 14646
197: ok 14647
197: ok 14648
197: ok 14649
197: ok 14650
197: ok 14651
197: ok 14652
197: ok 14653
197: ok 14654
197: ok 14655
197: ok 14656
197: ok 14657
197: ok 14658
197: ok 14659
197: ok 14660
197: ok 14661
197: ok 14662
197: ok 14663
197: ok 14664
197: ok 14665
197: ok 14666
197: ok 14667
197: ok 14668
197: ok 14669
197: ok 14670
197: ok 14671
197: ok 14672
197: ok 14673
197: ok 14674
197: ok 14675
197: ok 14676
197: ok 14677
197: ok 14678
197: ok 14679
197: ok 14680
197: ok 14681
197: ok 14682
197: ok 14683
197: ok 14684
197: ok 14685
197: ok 14686
197: ok 14687
197: ok 14688
197: ok 14689
197: ok 14690
197: ok 14691
197: ok 14692
197: ok 14693
197: ok 14694
197: ok 14695
197: ok 14696
197: ok 14697
197: ok 14698
197: ok 14699
197: ok 14700
197: ok 14701
197: ok 14702
197: ok 14703
197: ok 14704
197: ok 14705
197: ok 14706
197: ok 14707
197: ok 14708
197: ok 14709
197: ok 14710
197: ok 14711
197: ok 14712
197: ok 14713
197: ok 14714
197: ok 14715
197: ok 14716
197: ok 14717
197: ok 14718
197: ok 14719
197: ok 14720
197: ok 14721
197: ok 14722
197: ok 14723
197: ok 14724
197: ok 14725
197: ok 14726
197: ok 14727
197: ok 14728
197: ok 14729
197: ok 14730
197: ok 14731
197: ok 14732
197: ok 14733
197: ok 14734
197: ok 14735
197: ok 14736
197: ok 14737
197: ok 14738
197: ok 14739
197: ok 14740
197: ok 14741
197: ok 14742
197: ok 14743
197: ok 14744
197: ok 14745
197: ok 14746
197: ok 14747
197: ok 14748
197: ok 14749
197: ok 14750
197: ok 14751
197: ok 14752
197: ok 14753
197: ok 14754
197: ok 14755
197: ok 14756
197: ok 14757
197: ok 14758
197: ok 14759
197: ok 14760
197: ok 14761
197: ok 14762
197: ok 14763
197: ok 14764
197: ok 14765
197: ok 14766
197: ok 14767
197: ok 14768
197: ok 14769
197: ok 14770
197: ok 14771
197: ok 14772
197: ok 14773
197: ok 14774
197: ok 14775
197: ok 14776
197: ok 14777
197: ok 14778
197: ok 14779
197: ok 14780
197: ok 14781
197: ok 14782
197: ok 14783
197: ok 14784
197: ok 14785
197: ok 14786
197: ok 14787
197: ok 14788
197: ok 14789
197: ok 14790
197: ok 14791
197: ok 14792
197: ok 14793
197: ok 14794
197: ok 14795
197: ok 14796
197: ok 14797
197: ok 14798
197: ok 14799
197: ok 14800
197: ok 14801
197: ok 14802
197: ok 14803
197: ok 14804
197: ok 14805
197: ok 14806
197: ok 14807
197: ok 14808
197: ok 14809
197: ok 14810
197: ok 14811
197: ok 14812
197: ok 14813
197: ok 14814
197: ok 14815
197: ok 14816
197: ok 14817
197: ok 14818
197: ok 14819
197: ok 14820
197: ok 14821
197: ok 14822
197: ok 14823
197: ok 14824
197: ok 14825
197: ok 14826
197: ok 14827
197: ok 14828
197: ok 14829
197: ok 14830
197: ok 14831
197: ok 14832
197: ok 14833
197: ok 14834
197: ok 14835
197: ok 14836
197: ok 14837
197: ok 14838
197: ok 14839
197: ok 14840
197: ok 14841
197: ok 14842
197: ok 14843
197: ok 14844
197: ok 14845
197: ok 14846
197: ok 14847
197: ok 14848
197: ok 14849
197: ok 14850
197: ok 14851
197: ok 14852
197: ok 14853
197: ok 14854
197: ok 14855
197: ok 14856
197: ok 14857
197: ok 14858
197: ok 14859
197: ok 14860
197: ok 14861
197: ok 14862
197: ok 14863
197: ok 14864
197: ok 14865
197: ok 14866
197: ok 14867
197: ok 14868
197: ok 14869
197: ok 14870
197: ok 14871
197: ok 14872
197: ok 14873
197: ok 14874
197: ok 14875
197: ok 14876
197: ok 14877
197: ok 14878
197: ok 14879
197: ok 14880
197: ok 14881
197: ok 14882
197: ok 14883
197: ok 14884
197: ok 14885
197: ok 14886
197: ok 14887
197: ok 14888
197: ok 14889
197: ok 14890
197: ok 14891
197: ok 14892
197: ok 14893
197: ok 14894
197: ok 14895
197: ok 14896
197: ok 14897
197: ok 14898
197: ok 14899
197: ok 14900
197: ok 14901
197: ok 14902
197: ok 14903
197: ok 14904
197: ok 14905
197: ok 14906
197: ok 14907
197: ok 14908
197: ok 14909
197: ok 14910
197: ok 14911
197: ok 14912
197: ok 14913
197: ok 14914
197: ok 14915
197: ok 14916
197: ok 14917
197: ok 14918
197: ok 14919
197: ok 14920
197: ok 14921
197: ok 14922
197: ok 14923
197: ok 14924
197: ok 14925
197: ok 14926
197: ok 14927
197: ok 14928
197: ok 14929
197: ok 14930
197: ok 14931
197: ok 14932
197: ok 14933
197: ok 14934
197: ok 14935
197: ok 14936
197: ok 14937
197: ok 14938
197: ok 14939
197: ok 14940
197: ok 14941
197: ok 14942
197: ok 14943
197: ok 14944
197: ok 14945
197: ok 14946
197: ok 14947
197: ok 14948
197: ok 14949
197: ok 14950
197: ok 14951
197: ok 14952
197: ok 14953
197: ok 14954
197: ok 14955
197: ok 14956
197: ok 14957
197: ok 14958
197: ok 14959
197: ok 14960
197: ok 14961
197: ok 14962
197: ok 14963
197: ok 14964
197: ok 14965
197: ok 14966
197: ok 14967
197: ok 14968
197: ok 14969
197: ok 14970
197: ok 14971
197: ok 14972
197: ok 14973
197: ok 14974
197: ok 14975
197: ok 14976
197: ok 14977
197: ok 14978
197: ok 14979
197: ok 14980
197: ok 14981
197: ok 14982
197: ok 14983
197: ok 14984
197: ok 14985
197: ok 14986
197: ok 14987
197: ok 14988
197: ok 14989
197: ok 14990
197: ok 14991
197: ok 14992
197: ok 14993
197: ok 14994
197: ok 14995
197: ok 14996
197: ok 14997
197: ok 14998
197: ok 14999
197: ok 15000
197: ok 15001
197: ok 15002
197: ok 15003
197: ok 15004
197: ok 15005
197: ok 15006
197: ok 15007
197: ok 15008
197: ok 15009
197: ok 15010
197: ok 15011
197: ok 15012
197: ok 15013
197: ok 15014
197: ok 15015
197: ok 15016
197: ok 15017
197: ok 15018
197: ok 15019
197: ok 15020
197: ok 15021
197: ok 15022
197: ok 15023
197: ok 15024
197: ok 15025
197: ok 15026
197: ok 15027
197: ok 15028
197: ok 15029
197: ok 15030
197: ok 15031
197: ok 15032
197: ok 15033
197: ok 15034
197: ok 15035
197: ok 15036
197: ok 15037
197: ok 15038
197: ok 15039
197: ok 15040
197: ok 15041
197: ok 15042
197: ok 15043
197: ok 15044
197: ok 15045
197: ok 15046
197: ok 15047
197: ok 15048
197: ok 15049
197: ok 15050
197: ok 15051
197: ok 15052
197: ok 15053
197: ok 15054
197: ok 15055
197: ok 15056
197: ok 15057
197: ok 15058
197: ok 15059
197: ok 15060
197: ok 15061
197: ok 15062
197: ok 15063
197: ok 15064
197: ok 15065
197: ok 15066
197: ok 15067
197: ok 15068
197: ok 15069
197: ok 15070
197: ok 15071
197: ok 15072
197: ok 15073
197: ok 15074
197: ok 15075
197: ok 15076
197: ok 15077
197: ok 15078
197: ok 15079
197: ok 15080
197: ok 15081
197: ok 15082
197: ok 15083
197: ok 15084
197: ok 15085
197: ok 15086
197: ok 15087
197: ok 15088
197: ok 15089
197: ok 15090
197: ok 15091
197: ok 15092
197: ok 15093
197: ok 15094
197: ok 15095
197: ok 15096
197: ok 15097
197: ok 15098
197: ok 15099
197: ok 15100
197: ok 15101
197: ok 15102
197: ok 15103
197: ok 15104
197: ok 15105
197: ok 15106
197: ok 15107
197: ok 15108
197: ok 15109
197: ok 15110
197: ok 15111
197: ok 15112
197: ok 15113
197: ok 15114
197: ok 15115
197: ok 15116
197: ok 15117
197: ok 15118
197: ok 15119
197: ok 15120
197: ok 15121
197: ok 15122
197: ok 15123
197: ok 15124
197: ok 15125
197: ok 15126
197: ok 15127
197: ok 15128
197: ok 15129
197: ok 15130
197: ok 15131
197: ok 15132
197: ok 15133
197: ok 15134
197: ok 15135
197: ok 15136
197: ok 15137
197: ok 15138
197: ok 15139
197: ok 15140
197: ok 15141
197: ok 15142
197: ok 15143
197: ok 15144
197: ok 15145
197: ok 15146
197: ok 15147
197: ok 15148
197: ok 15149
197: ok 15150
197: ok 15151
197: ok 15152
197: ok 15153
197: ok 15154
197: ok 15155
197: ok 15156
197: ok 15157
197: ok 15158
197: ok 15159
197: ok 15160
197: ok 15161
197: ok 15162
197: ok 15163
197: ok 15164
197: ok 15165
197: ok 15166
197: ok 15167
197: ok 15168
197: ok 15169
197: ok 15170
197: ok 15171
197: ok 15172
197: ok 15173
197: ok 15174
197: ok 15175
197: ok 15176
197: ok 15177
197: ok 15178
197: ok 15179
197: ok 15180
197: ok 15181
197: ok 15182
197: ok 15183
197: ok 15184
197: ok 15185
197: ok 15186
197: ok 15187
197: ok 15188
197: ok 15189
197: ok 15190
197: ok 15191
197: ok 15192
197: ok 15193
197: ok 15194
197: ok 15195
197: ok 15196
197: ok 15197
197: ok 15198
197: ok 15199
197: ok 15200
197: ok 15201
197: ok 15202
197: ok 15203
197: ok 15204
197: ok 15205
197: ok 15206
197: ok 15207
197: ok 15208
197: ok 15209
197: ok 15210
197: ok 15211
197: ok 15212
197: ok 15213
197: ok 15214
197: ok 15215
197: ok 15216
197: ok 15217
197: ok 15218
197: ok 15219
197: ok 15220
197: ok 15221
197: ok 15222
197: ok 15223
197: ok 15224
197: ok 15225
197: ok 15226
197: ok 15227
197: ok 15228
197: ok 15229
197: ok 15230
197: ok 15231
197: ok 15232
197: ok 15233
197: ok 15234
197: ok 15235
197: ok 15236
197: ok 15237
197: ok 15238
197: ok 15239
197: ok 15240
197: ok 15241
197: ok 15242
197: ok 15243
197: ok 15244
197: ok 15245
197: ok 15246
197: ok 15247
197: ok 15248
197: ok 15249
197: ok 15250
197: ok 15251
197: ok 15252
197: ok 15253
197: ok 15254
197: ok 15255
197: ok 15256
197: ok 15257
197: ok 15258
197: ok 15259
197: ok 15260
197: ok 15261
197: ok 15262
197: ok 15263
197: ok 15264
197: ok 15265
197: ok 15266
197: ok 15267
197: ok 15268
197: ok 15269
197: ok 15270
197: ok 15271
197: ok 15272
197: ok 15273
197: ok 15274
197: ok 15275
197: ok 15276
197: ok 15277
197: ok 15278
197: ok 15279
197: ok 15280
197: ok 15281
197: ok 15282
197: ok 15283
197: ok 15284
197: ok 15285
197: ok 15286
197: ok 15287
197: ok 15288
197: ok 15289
197: ok 15290
197: ok 15291
197: ok 15292
197: ok 15293
197: ok 15294
197: ok 15295
197: ok 15296
197: ok 15297
197: ok 15298
197: ok 15299
197: ok 15300
197: ok 15301
197: ok 15302
197: ok 15303
197: ok 15304
197: ok 15305
197: ok 15306
197: ok 15307
197: ok 15308
197: ok 15309
197: ok 15310
197: ok 15311
197: ok 15312
197: ok 15313
197: ok 15314
197: ok 15315
197: ok 15316
197: ok 15317
197: ok 15318
197: ok 15319
197: ok 15320
197: ok 15321
197: ok 15322
197: ok 15323
197: ok 15324
197: ok 15325
197: ok 15326
197: ok 15327
197: ok 15328
197: ok 15329
197: ok 15330
197: ok 15331
197: ok 15332
197: ok 15333
197: ok 15334
197: ok 15335
197: ok 15336
197: ok 15337
197: ok 15338
197: ok 15339
197: ok 15340
197: ok 15341
197: ok 15342
197: ok 15343
197: ok 15344
197: ok 15345
197: ok 15346
197: ok 15347
197: ok 15348
197: ok 15349
197: ok 15350
197: ok 15351
197: ok 15352
197: ok 15353
197: ok 15354
197: ok 15355
197: ok 15356
197: ok 15357
197: ok 15358
197: ok 15359
197: ok 15360
197: ok 15361
197: ok 15362
197: ok 15363
197: ok 15364
197: ok 15365
197: ok 15366
197: ok 15367
197: ok 15368
197: ok 15369
197: ok 15370
197: ok 15371
197: ok 15372
197: ok 15373
197: ok 15374
197: ok 15375
197: ok 15376
197: ok 15377
197: ok 15378
197: ok 15379
197: ok 15380
197: ok 15381
197: ok 15382
197: ok 15383
197: ok 15384
197: ok 15385
197: ok 15386
197: ok 15387
197: ok 15388
197: ok 15389
197: ok 15390
197: ok 15391
197: ok 15392
197: ok 15393
197: ok 15394
197: ok 15395
197: ok 15396
197: ok 15397
197: ok 15398
197: ok 15399
197: ok 15400
197: ok 15401
197: ok 15402
197: ok 15403
197: ok 15404
197: ok 15405
197: ok 15406
197: ok 15407
197: ok 15408
197: ok 15409
197: ok 15410
197: ok 15411
197: ok 15412
197: ok 15413
197: ok 15414
197: ok 15415
197: ok 15416
197: ok 15417
197: ok 15418
197: ok 15419
197: ok 15420
197: ok 15421
197: ok 15422
197: ok 15423
197: ok 15424
197: ok 15425
197: ok 15426
197: ok 15427
197: ok 15428
197: ok 15429
197: ok 15430
197: ok 15431
197: ok 15432
197: ok 15433
197: ok 15434
197: ok 15435
197: ok 15436
197: ok 15437
197: ok 15438
197: ok 15439
197: ok 15440
197: ok 15441
197: ok 15442
197: ok 15443
197: ok 15444
197: ok 15445
197: ok 15446
197: ok 15447
197: ok 15448
197: ok 15449
197: ok 15450
197: ok 15451
197: ok 15452
197: ok 15453
197: ok 15454
197: ok 15455
197: ok 15456
197: ok 15457
197: ok 15458
197: ok 15459
197: ok 15460
197: ok 15461
197: ok 15462
197: ok 15463
197: ok 15464
197: ok 15465
197: ok 15466
197: ok 15467
197: ok 15468
197: ok 15469
197: ok 15470
197: ok 15471
197: ok 15472
197: ok 15473
197: ok 15474
197: ok 15475
197: ok 15476
197: ok 15477
197: ok 15478
197: ok 15479
197: ok 15480
197: ok 15481
197: ok 15482
197: ok 15483
197: ok 15484
197: ok 15485
197: ok 15486
197: ok 15487
197: ok 15488
197: ok 15489
197: ok 15490
197: ok 15491
197: ok 15492
197: ok 15493
197: ok 15494
197: ok 15495
197: ok 15496
197: ok 15497
197: ok 15498
197: ok 15499
197: ok 15500
197: ok 15501
197: ok 15502
197: ok 15503
197: ok 15504
197: ok 15505
197: ok 15506
197: ok 15507
197: ok 15508
197: ok 15509
197: ok 15510
197: ok 15511
197: ok 15512
197: ok 15513
197: ok 15514
197: ok 15515
197: ok 15516
197: ok 15517
197: ok 15518
197: ok 15519
197: ok 15520
197: ok 15521
197: ok 15522
197: ok 15523
197: ok 15524
197: ok 15525
197: ok 15526
197: ok 15527
197: ok 15528
197: ok 15529
197: ok 15530
197: ok 15531
197: ok 15532
197: ok 15533
197: ok 15534
197: ok 15535
197: ok 15536
197: ok 15537
197: ok 15538
197: ok 15539
197: ok 15540
197: ok 15541
197: ok 15542
197: ok 15543
197: ok 15544
197: ok 15545
197: ok 15546
197: ok 15547
197: ok 15548
197: ok 15549
197: ok 15550
197: ok 15551
197: ok 15552
197: ok 15553
197: ok 15554
197: ok 15555
197: ok 15556
197: ok 15557
197: ok 15558
197: ok 15559
197: ok 15560
197: ok 15561
197: ok 15562
197: ok 15563
197: ok 15564
197: ok 15565
197: ok 15566
197: ok 15567
197: ok 15568
197: ok 15569
197: ok 15570
197: ok 15571
197: ok 15572
197: ok 15573
197: ok 15574
197: ok 15575
197: ok 15576
197: ok 15577
197: ok 15578
197: ok 15579
197: ok 15580
197: ok 15581
197: ok 15582
197: ok 15583
197: ok 15584
197: ok 15585
197: ok 15586
197: ok 15587
197: ok 15588
197: ok 15589
197: ok 15590
197: ok 15591
197: ok 15592
197: ok 15593
197: ok 15594
197: ok 15595
197: ok 15596
197: ok 15597
197: ok 15598
197: ok 15599
197: ok 15600
197: ok 15601
197: ok 15602
197: ok 15603
197: ok 15604
197: ok 15605
197: ok 15606
197: ok 15607
197: ok 15608
197: ok 15609
197: ok 15610
197: ok 15611
197: ok 15612
197: ok 15613
197: ok 15614
197: ok 15615
197: ok 15616
197: ok 15617
197: ok 15618
197: ok 15619
197: ok 15620
197: ok 15621
197: ok 15622
197: ok 15623
197: ok 15624
197: ok 15625
197: ok 15626
197: ok 15627
197: ok 15628
197: ok 15629
197: ok 15630
197: ok 15631
197: ok 15632
197: ok 15633
197: ok 15634
197: ok 15635
197: ok 15636
197: ok 15637
197: ok 15638
197: ok 15639
197: ok 15640
197: ok 15641
197: ok 15642
197: ok 15643
197: ok 15644
197: ok 15645
197: ok 15646
197: ok 15647
197: ok 15648
197: ok 15649
197: ok 15650
197: ok 15651
197: ok 15652
197: ok 15653
197: ok 15654
197: ok 15655
197: ok 15656
197: ok 15657
197: ok 15658
197: ok 15659
197: ok 15660
197: ok 15661
197: ok 15662
197: ok 15663
197: ok 15664
197: ok 15665
197: ok 15666
197: ok 15667
197: ok 15668
197: ok 15669
197: ok 15670
197: ok 15671
197: ok 15672
197: ok 15673
197: ok 15674
197: ok 15675
197: ok 15676
197: ok 15677
197: ok 15678
197: ok 15679
197: ok 15680
197: ok 15681
197: ok 15682
197: ok 15683
197: ok 15684
197: ok 15685
197: ok 15686
197: ok 15687
197: ok 15688
197: ok 15689
197: ok 15690
197: ok 15691
197: ok 15692
197: ok 15693
197: ok 15694
197: ok 15695
197: ok 15696
197: ok 15697
197: ok 15698
197: ok 15699
197: ok 15700
197: ok 15701
197: ok 15702
197: ok 15703
197: ok 15704
197: ok 15705
197: ok 15706
197: ok 15707
197: ok 15708
197: ok 15709
197: ok 15710
197: ok 15711
197: ok 15712
197: ok 15713
197: ok 15714
197: ok 15715
197: ok 15716
197: ok 15717
197: ok 15718
197: ok 15719
197: ok 15720
197: ok 15721
197: ok 15722
197: ok 15723
197: ok 15724
197: ok 15725
197: ok 15726
197: ok 15727
197: ok 15728
197: ok 15729
197: ok 15730
197: ok 15731
197: ok 15732
197: ok 15733
197: ok 15734
197: ok 15735
197: ok 15736
197: ok 15737
197: ok 15738
197: ok 15739
197: ok 15740
197: ok 15741
197: ok 15742
197: ok 15743
197: ok 15744
197: ok 15745
197: ok 15746
197: ok 15747
197: ok 15748
197: ok 15749
197: ok 15750
197: ok 15751
197: ok 15752
197: ok 15753
197: ok 15754
197: ok 15755
197: ok 15756
197: ok 15757
197: ok 15758
197: ok 15759
197: ok 15760
197: ok 15761
197: ok 15762
197: ok 15763
197: ok 15764
197: ok 15765
197: ok 15766
197: ok 15767
197: ok 15768
197: ok 15769
197: ok 15770
197: ok 15771
197: ok 15772
197: ok 15773
197: ok 15774
197: ok 15775
197: ok 15776
197: ok 15777
197: ok 15778
197: ok 15779
197: ok 15780
197: ok 15781
197: ok 15782
197: ok 15783
197: ok 15784
197: ok 15785
197: ok 15786
197: ok 15787
197: ok 15788
197: ok 15789
197: ok 15790
197: ok 15791
197: ok 15792
197: ok 15793
197: ok 15794
197: ok 15795
197: ok 15796
197: ok 15797
197: ok 15798
197: ok 15799
197: ok 15800
197: ok 15801
197: ok 15802
197: ok 15803
197: ok 15804
197: ok 15805
197: ok 15806
197: ok 15807
197: ok 15808
197: ok 15809
197: ok 15810
197: ok 15811
197: ok 15812
197: ok 15813
197: ok 15814
197: ok 15815
197: ok 15816
197: ok 15817
197: ok 15818
197: ok 15819
197: ok 15820
197: ok 15821
197: ok 15822
197: ok 15823
197: ok 15824
197: ok 15825
197: ok 15826
197: ok 15827
197: ok 15828
197: ok 15829
197: ok 15830
197: ok 15831
197: ok 15832
197: ok 15833
197: ok 15834
197: ok 15835
197: ok 15836
197: ok 15837
197: ok 15838
197: ok 15839
197: ok 15840
197: ok 15841
197: ok 15842
197: ok 15843
197: ok 15844
197: ok 15845
197: ok 15846
197: ok 15847
197: ok 15848
197: ok 15849
197: ok 15850
197: ok 15851
197: ok 15852
197: ok 15853
197: ok 15854
197: ok 15855
197: ok 15856
197: ok 15857
197: ok 15858
197: ok 15859
197: ok 15860
197: ok 15861
197: ok 15862
197: ok 15863
197: ok 15864
197: ok 15865
197: ok 15866
197: ok 15867
197: ok 15868
197: ok 15869
197: ok 15870
197: ok 15871
197: ok 15872
197: ok 15873
197: ok 15874
197: ok 15875
197: ok 15876
197: ok 15877
197: ok 15878
197: ok 15879
197: ok 15880
197: ok 15881
197: ok 15882
197: ok 15883
197: ok 15884
197: ok 15885
197: ok 15886
197: ok 15887
197: ok 15888
197: ok 15889
197: ok 15890
197: ok 15891
197: ok 15892
197: ok 15893
197: ok 15894
197: ok 15895
197: ok 15896
197: ok 15897
197: ok 15898
197: ok 15899
197: ok 15900
197: ok 15901
197: ok 15902
197: ok 15903
197: ok 15904
197: ok 15905
197: ok 15906
197: ok 15907
197: ok 15908
197: ok 15909
197: ok 15910
197: ok 15911
197: ok 15912
197: ok 15913
197: ok 15914
197: ok 15915
197: ok 15916
197: ok 15917
197: ok 15918
197: ok 15919
197: ok 15920
197: ok 15921
197: ok 15922
197: ok 15923
197: ok 15924
197: ok 15925
197: ok 15926
197: ok 15927
197: ok 15928
197: ok 15929
197: ok 15930
197: ok 15931
197: ok 15932
197: ok 15933
197: ok 15934
197: ok 15935
197: ok 15936
197: ok 15937
197: ok 15938
197: ok 15939
197: ok 15940
197: ok 15941
197: ok 15942
197: ok 15943
197: ok 15944
197: ok 15945
197: ok 15946
197: ok 15947
197: ok 15948
197: ok 15949
197: ok 15950
197: ok 15951
197: ok 15952
197: ok 15953
197: ok 15954
197: ok 15955
197: ok 15956
197: ok 15957
197: ok 15958
197: ok 15959
197: ok 15960
197: ok 15961
197: ok 15962
197: ok 15963
197: ok 15964
197: ok 15965
197: ok 15966
197: ok 15967
197: ok 15968
197: ok 15969
197: ok 15970
197: ok 15971
197: ok 15972
197: ok 15973
197: ok 15974
197: ok 15975
197: ok 15976
197: ok 15977
197: ok 15978
197: ok 15979
197: ok 15980
197: ok 15981
197: ok 15982
197: ok 15983
197: ok 15984
197: ok 15985
197: ok 15986
197: ok 15987
197: ok 15988
197: ok 15989
197: ok 15990
197: ok 15991
197: ok 15992
197: ok 15993
197: ok 15994
197: ok 15995
197: ok 15996
197: ok 15997
197: ok 15998
197: ok 15999
197: ok 16000
197: # math: passed testEigenvectors
197: 1..16000
197: # math: all tests are successful
183: 40       ( 23.900,  -8.357,  75.919)  ( 23.905,  -8.353,  75.928)  ( 0.02,  0.04,  0.01)
183:     bond    (  7.487, -14.578,  43.256)  (  7.491, -14.577,  43.260)  ( 0.04,  0.01,  0.01)
183:     angle   (  0.026,  -0.013,  -0.077)  (  0.028,  -0.012,  -0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  7.696,  -4.671,  27.650)  (  7.697,  -4.670,  27.651)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.018,   0.030,  -0.018)  (  0.018,   0.030,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,   0.012,  -0.004)  (  0.005,   0.011,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.667,  10.865,   5.113)  (  8.667,  10.865,   5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 41       (-54.913, -35.524, -24.139)  (-54.905, -35.518, -24.134)  ( 0.02,  0.02,  0.02)
183:     bond    (-26.884, -35.755, -12.136)  (-26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  8.310,   2.328,   1.428)  (  8.312,   2.330,   1.429)  ( 0.02,  0.05,  0.09)
183:     strbnd  (-33.157,  -3.794,  -2.400)  (-33.157,  -3.793,  -2.399)  ( 0.00,  0.02,  0.04)
183:     torsion ( -0.015,  -1.854,   2.983)  ( -0.015,  -1.853,   2.983)  ( 0.00,  0.03,  0.01)
183:     oop     ( -0.002,  -0.006,   0.005)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.165,   3.556, -14.019)  ( -3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 42       (  3.504,  53.443,  17.121)  (  3.509,  53.448,  17.126)  ( 0.15,  0.01,  0.02)
183:     bond    (-12.452,  26.530,  26.356)  (-12.448,  26.533,  26.357)  ( 0.04,  0.01,  0.01)
183:     angle   ( -9.977,  -5.385,  -2.072)  ( -9.975,  -5.383,  -2.071)  ( 0.02,  0.04,  0.05)
183:     strbnd  ( 29.601,  21.773,  10.437)  ( 29.601,  21.772,  10.438)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.442,   1.853,  -6.723)  (  1.442,   1.853,  -6.722)  ( 0.02,  0.02,  0.01)
183:     oop     (  0.004,   0.006,  -0.012)  (  0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.113,   8.667, -10.865)  ( -5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 43       ( 47.292, -52.215, -38.554)  ( 47.297, -52.209, -38.549)  ( 0.01,  0.01,  0.01)
183:     bond    ( 26.876, -35.755, -12.136)  ( 26.880, -35.753, -12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  0.078,   0.012,  -0.007)  (  0.079,   0.013,  -0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 17.157, -20.001, -12.414)  ( 17.159, -20.000, -12.413)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.014,  -0.020,   0.017)  (  0.014,  -0.019,   0.017)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.002,  -0.006,   0.005)  (  0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.164,   3.556, -14.019)  (  3.165,   3.556, -14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 44       (  8.348,  75.919, -23.913)  (  8.353,  75.928, -23.905)  ( 0.06,  0.01,  0.03)
183:     bond    ( 14.575,  43.256,  -7.494)  ( 14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183:     angle   (  0.011,  -0.077,  -0.029)  (  0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  4.670,  27.650,  -7.698)  (  4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.031,  -0.018,  -0.018)  ( -0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.012,  -0.004,  -0.006)  ( -0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-10.865,   5.113,  -8.667)  (-10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 45       ( -8.357,  75.919, -23.913)  ( -8.353,  75.928, -23.905)  ( 0.04,  0.01,  0.03)
183:     bond    (-14.578,  43.256,  -7.494)  (-14.577,  43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183:     angle   ( -0.013,  -0.077,  -0.029)  ( -0.012,  -0.076,  -0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -4.671,  27.650,  -7.698)  ( -4.670,  27.651,  -7.697)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.030,  -0.018,  -0.018)  (  0.030,  -0.018,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.012,  -0.004,  -0.006)  (  0.011,  -0.002,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.865,   5.113,  -8.667)  ( 10.865,   5.113,  -8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 46       (  8.348, -75.934, -23.913)  (  8.353, -75.928, -23.905)  ( 0.06,  0.01,  0.03)
183:     bond    ( 14.575, -43.264,  -7.494)  ( 14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183:     angle   (  0.011,   0.075,  -0.029)  (  0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  4.670, -27.652,  -7.698)  (  4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.031,   0.017,  -0.018)  ( -0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.012,   0.004,  -0.006)  ( -0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-10.865,  -5.113,  -8.667)  (-10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 47       (-38.554, -47.306,  52.205)  (-38.549, -47.297,  52.209)  ( 0.01,  0.02,  0.01)
183:     bond    (-12.136, -26.884,  35.751)  (-12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
183:     angle   ( -0.007,  -0.081,  -0.014)  ( -0.006,  -0.079,  -0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  (-12.414, -17.160,  20.000)  (-12.413, -17.159,  20.000)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.017,  -0.014,   0.019)  (  0.017,  -0.014,   0.019)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,  -0.002,   0.006)  (  0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-14.019,  -3.165,  -3.556)  (-14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 48       (-37.613,  -0.007, -70.710)  (-37.611,   0.000, -70.701)  ( 0.01,  0.00,  0.01)
183:     bond    (-31.161,  -0.003, -34.133)  (-31.160,   0.000, -34.128)  ( 0.00,  0.00,  0.01)
183:     angle   ( -0.051,  -0.002,  -0.024)  ( -0.051,   0.000,  -0.022)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-15.277,  -0.001, -24.743)  (-15.276,   0.000, -24.742)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.022,  -0.000,   0.006)  ( -0.021,   0.000,   0.006)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.010,  -0.000,   0.005)  ( -0.011,  -0.000,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.908,  -0.000, -11.821)  (  8.908,  -0.000, -11.821)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 49       ( 23.900,   8.348,  75.919)  ( 23.905,   8.353,  75.928)  ( 0.02,  0.06,  0.01)
183:     bond    (  7.487,  14.575,  43.256)  (  7.491,  14.577,  43.260)  ( 0.04,  0.01,  0.01)
183:     angle   (  0.026,   0.011,  -0.077)  (  0.028,   0.012,  -0.076)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  7.696,   4.670,  27.650)  (  7.697,   4.670,  27.651)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.018,  -0.031,  -0.018)  (  0.018,  -0.030,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.006,  -0.012,  -0.004)  (  0.005,  -0.011,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.667, -10.865,   5.113)  (  8.667, -10.865,   5.113)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 50       (-54.913,  35.514, -24.139)  (-54.905,  35.518, -24.134)  ( 0.02,  0.01,  0.02)
183:     bond    (-26.884,  35.751, -12.136)  (-26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  8.310,  -2.331,   1.428)  (  8.312,  -2.330,   1.429)  ( 0.02,  0.05,  0.09)
183:     strbnd  (-33.157,   3.792,  -2.400)  (-33.157,   3.793,  -2.399)  ( 0.00,  0.02,  0.04)
183:     torsion ( -0.015,   1.852,   2.983)  ( -0.015,   1.853,   2.983)  ( 0.00,  0.03,  0.01)
183:     oop     ( -0.002,   0.006,   0.005)  ( -0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.165,  -3.556, -14.019)  ( -3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 51       ( -8.357, -75.934, -23.913)  ( -8.353, -75.928, -23.905)  ( 0.04,  0.01,  0.03)
183:     bond    (-14.578, -43.264,  -7.494)  (-14.577, -43.260,  -7.491)  ( 0.01,  0.01,  0.04)
183:     angle   ( -0.013,   0.075,  -0.029)  ( -0.012,   0.076,  -0.028)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -4.671, -27.652,  -7.698)  ( -4.670, -27.651,  -7.697)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.030,   0.017,  -0.018)  (  0.030,   0.018,  -0.018)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.012,   0.004,  -0.006)  (  0.011,   0.002,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.865,  -5.113,  -8.667)  ( 10.865,  -5.113,  -8.667)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 52       ( 37.554, -49.775,  56.098)  ( 37.561, -49.767,  56.102)  ( 0.02,  0.02,  0.01)
183:     bond    ( 12.130, -26.884,  35.751)  ( 12.133, -26.880,  35.753)  ( 0.03,  0.01,  0.01)
183:     angle   (  1.671,   3.010,   0.624)  (  1.672,   3.012,   0.625)  ( 0.08,  0.05,  0.07)
183:     strbnd  ( 11.182, -22.719,  19.528)  ( 11.183, -22.718,  19.529)  ( 0.01,  0.00,  0.00)
183:     torsion ( -1.441,  -0.016,   3.746)  ( -1.441,  -0.015,   3.746)  ( 0.03,  0.00,  0.02)
183:     oop     ( -0.006,  -0.002,   0.006)  ( -0.004,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 14.019,  -3.165,  -3.556)  ( 14.019,  -3.165,  -3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 53       ( 57.517,  33.960,  18.680)  ( 57.526,  33.965,  18.684)  ( 0.02,  0.02,  0.02)
183:     bond    ( 43.256,   7.487,  14.575)  ( 43.260,   7.491,  14.577)  ( 0.01,  0.04,  0.01)
183:     angle   ( -5.272,  -6.052,  -3.749)  ( -5.270,  -6.051,  -3.748)  ( 0.03,  0.03,  0.03)
183:     strbnd  ( 14.441,  25.672,  15.790)  ( 14.443,  25.673,  15.791)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.018,  -1.820,   2.940)  ( -0.018,  -1.820,   2.940)  ( 0.00,  0.02,  0.02)
183:     oop     ( -0.004,   0.006,  -0.012)  ( -0.002,   0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.113,   8.667, -10.865)  (  5.113,   8.667, -10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 54       (-52.445,  20.194,   0.196)  (-52.439,  20.201,   0.199)  ( 0.01,  0.03,  0.06)
183:     bond    (-30.817,  15.080,  19.379)  (-30.813,  15.086,  19.380)  ( 0.01,  0.03,  0.00)
183:     angle   (  5.186,   6.102,   3.821)  (  5.188,   6.103,   3.822)  ( 0.04,  0.03,  0.02)
183:     strbnd  (-26.815, -14.634, -11.154)  (-26.815, -14.635, -11.154)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,   1.831,  -2.952)  (  0.001,   1.831,  -2.951)  ( 0.00,  0.01,  0.02)
183:     oop     ( -0.000,  -0.005,   0.010)  (  0.000,  -0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000,  11.821,  -8.908)  (  0.000,  11.821,  -8.908)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 55       ( 37.554,  49.762,  56.098)  ( 37.561,  49.767,  56.102)  ( 0.02,  0.01,  0.01)
183:     bond    ( 12.130,  26.876,  35.751)  ( 12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
183:     angle   (  1.671,  -3.013,   0.624)  (  1.672,  -3.012,   0.625)  ( 0.08,  0.05,  0.07)
183:     strbnd  ( 11.182,  22.717,  19.528)  ( 11.183,  22.718,  19.529)  ( 0.01,  0.00,  0.00)
183:     torsion ( -1.441,   0.015,   3.746)  ( -1.441,   0.015,   3.746)  ( 0.03,  0.00,  0.02)
183:     oop     ( -0.006,   0.002,   0.006)  ( -0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 14.019,   3.164,  -3.556)  ( 14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 56       (-38.554,  47.292,  52.205)  (-38.549,  47.297,  52.209)  ( 0.01,  0.01,  0.01)
183:     bond    (-12.136,  26.876,  35.751)  (-12.133,  26.880,  35.753)  ( 0.03,  0.01,  0.01)
183:     angle   ( -0.007,   0.078,  -0.014)  ( -0.006,   0.079,  -0.013)  ( 0.00,  0.01,  0.00)
183:     strbnd  (-12.414,  17.157,  20.000)  (-12.413,  17.159,  20.000)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.017,   0.014,   0.019)  (  0.017,   0.014,   0.019)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.005,   0.002,   0.006)  (  0.004,   0.001,   0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (-14.019,   3.164,  -3.556)  (-14.019,   3.165,  -3.556)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 57       ( 47.292,  52.205, -38.554)  ( 47.297,  52.209, -38.549)  ( 0.01,  0.01,  0.01)
183:     bond    ( 26.876,  35.751, -12.136)  ( 26.880,  35.753, -12.133)  ( 0.01,  0.01,  0.03)
183:     angle   (  0.078,  -0.014,  -0.007)  (  0.079,  -0.013,  -0.006)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 17.157,  20.000, -12.414)  ( 17.159,  20.000, -12.413)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.014,   0.019,   0.017)  (  0.014,   0.019,   0.017)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.002,   0.006,   0.005)  (  0.001,   0.005,   0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.164,  -3.556, -14.019)  (  3.165,  -3.556, -14.019)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 58       (  3.504, -53.454,  17.121)  (  3.509, -53.448,  17.126)  ( 0.15,  0.01,  0.02)
183:     bond    (-12.452, -26.537,  26.356)  (-12.448, -26.533,  26.357)  ( 0.04,  0.01,  0.01)
183:     angle   ( -9.977,   5.381,  -2.072)  ( -9.975,   5.383,  -2.071)  ( 0.02,  0.04,  0.05)
183:     strbnd  ( 29.601, -21.772,  10.437)  ( 29.601, -21.772,  10.438)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.442,  -1.853,  -6.723)  (  1.442,  -1.853,  -6.722)  ( 0.02,  0.02,  0.01)
183:     oop     (  0.004,  -0.006,  -0.012)  (  0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.113,  -8.667, -10.865)  ( -5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 59       ( 57.517, -33.972,  18.680)  ( 57.526, -33.965,  18.684)  ( 0.02,  0.02,  0.02)
183:     bond    ( 43.256,  -7.494,  14.575)  ( 43.260,  -7.491,  14.577)  ( 0.01,  0.04,  0.01)
183:     angle   ( -5.272,   6.049,  -3.749)  ( -5.270,   6.051,  -3.748)  ( 0.03,  0.03,  0.03)
183:     strbnd  ( 14.441, -25.674,  15.790)  ( 14.443, -25.673,  15.791)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.018,   1.819,   2.940)  ( -0.018,   1.820,   2.940)  ( 0.00,  0.02,  0.02)
183:     oop     ( -0.004,  -0.006,  -0.012)  ( -0.002,  -0.005,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.113,  -8.667, -10.865)  (  5.113,  -8.667, -10.865)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 60       (-52.445, -20.208,   0.196)  (-52.439, -20.201,   0.199)  ( 0.01,  0.04,  0.06)
183:     bond    (-30.817, -15.091,  19.379)  (-30.813, -15.086,  19.380)  ( 0.01,  0.03,  0.00)
183:     angle   (  5.186,  -6.105,   3.821)  (  5.188,  -6.103,   3.822)  ( 0.04,  0.03,  0.02)
183:     strbnd  (-26.815,  14.635, -11.154)  (-26.815,  14.635, -11.154)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,  -1.831,  -2.952)  (  0.001,  -1.831,  -2.951)  ( 0.00,  0.01,  0.02)
183:     oop     ( -0.000,   0.005,   0.010)  (  0.000,   0.005,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.000, -11.821,  -8.908)  ( -0.000, -11.821,  -8.908)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 18 # gradients 
183: ok 19 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/caffeine.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       ( 45.804,   8.666,   0.052)  ( 45.812,   8.674,   0.106)  ( 0.02,  0.10,  0.28)
183:     bond    ( 30.636,  -6.297,   0.167)  ( 30.642,  -6.289,   0.167)  ( 0.02,  0.13,  0.00)
183:     angle   ( 32.862,  34.136,   0.480)  ( 32.865,  34.139,   0.480)  ( 0.01,  0.01,  0.00)
183:     strbnd  (-13.324,  -8.673,  -0.104)  (-13.325,  -8.674,  -0.104)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.006,   0.007,  -0.513)  (  0.006,   0.007,  -0.512)  ( 0.00,  0.00,  0.06)
183:     oop     (  0.002,   0.002,  -0.095)  (  0.001,   0.002,  -0.042)  ( 0.00,  0.00,  0.50)
183:     vdw     ( -4.980, -11.257,   0.121)  ( -4.980, -11.256,   0.121)  ( 0.00,  0.00,  0.00)
183:     electro (  0.603,   0.747,  -0.004)  (  0.603,   0.747,  -0.004)  ( 0.00,  0.00,  0.00)
183:  2       (-58.580, -33.101,  -2.074)  (-58.570, -33.093,  -1.963)  ( 0.02,  0.02,  5.36)
183:     bond    (-30.553,  -9.880,   0.169)  (-30.547,  -9.873,   0.169)  ( 0.02,  0.07,  0.00)
183:     angle   (-46.521, -10.271,   0.396)  (-46.518, -10.269,   0.396)  ( 0.01,  0.02,  0.00)
183:     strbnd  ( 17.496,  -2.306,  -0.133)  ( 17.495,  -2.306,  -0.133)  ( 0.00,  0.03,  0.00)
183:     torsion ( -0.025,   0.014,  -1.717)  ( -0.025,   0.014,  -1.715)  ( 0.00,  0.00,  0.08)
183:     oop     ( -0.004,   0.004,  -0.489)  ( -0.003,   0.003,  -0.380)  ( 0.00,  0.00,  5.38)
183:     vdw     (  1.588, -12.705,  -0.305)  (  1.588, -12.704,  -0.305)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.561,   2.042,   0.005)  ( -0.561,   2.042,   0.005)  ( 0.00,  0.00,  0.00)
183:  3       ( 29.955, -13.583,   1.499)  ( 29.962, -13.574,   1.374)  ( 0.02,  0.06,  8.32)
183:     bond    ( 39.764,   9.492,  -0.196)  ( 39.769,   9.499,  -0.196)  ( 0.01,  0.07,  0.00)
183:     angle   ( -9.543, -33.981,   0.308)  ( -9.540, -33.979,   0.308)  ( 0.03,  0.01,  0.01)
183:     strbnd  ( -7.639,   9.515,  -0.055)  ( -7.639,   9.513,  -0.055)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.011,   0.725,   0.814)  (  0.011,   0.725,   0.815)  ( 0.00,  0.00,  0.09)
183:     oop     (  0.005,   0.000,   0.631)  (  0.004,   0.000,   0.505)  ( 0.00,  0.00,  7.96)
183:     vdw     (  9.366,   0.886,   0.003)  (  9.367,   0.886,   0.003)  ( 0.00,  0.00,  0.00)
183:     electro ( -2.008,  -0.220,  -0.006)  ( -2.008,  -0.220,  -0.006)  ( 0.00,  0.00,  0.00)
183:  4       (  5.799,   3.052,  -0.989)  (  5.809,   3.064,  -0.869)  ( 0.17,  0.41, 11.90)
183:     bond    (-10.729, -14.628,   0.267)  (-10.721, -14.617,   0.267)  ( 0.08,  0.07,  0.01)
183:     angle   ( 32.474,  51.618,  -0.713)  ( 32.476,  51.622,  -0.713)  ( 0.01,  0.01,  0.01)
183:     strbnd  (-21.280, -41.834,   0.455)  (-21.281, -41.837,   0.455)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.002,  -0.000,   0.339)  ( -0.002,  -0.000,   0.341)  ( 0.00,  0.00,  0.04)
183:     oop     ( -0.004,  -0.005,  -0.706)  ( -0.003,  -0.004,  -0.587)  ( 0.00,  0.00,  8.43)
183:     vdw     (  7.224,  10.517,  -0.632)  (  7.224,  10.517,  -0.632)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.885,  -2.616,  -0.000)  ( -1.885,  -2.616,  -0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( 35.971,  57.674,  -1.797)  ( 35.974,  57.682,  -1.824)  ( 0.01,  0.01,  1.53)
183:     bond    ( 14.954,  25.801,  -0.346)  ( 14.956,  25.809,  -0.346)  ( 0.02,  0.03,  0.00)
183:     angle   ( -0.954,   0.553,   0.090)  ( -0.953,   0.554,   0.090)  ( 0.07,  0.01,  0.00)
183:     strbnd  ( 15.993,  27.797,  -0.361)  ( 15.993,  27.797,  -0.362)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,   0.000,   0.051)  (  0.001,   0.000,   0.051)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,   0.002,   0.182)  (  0.001,   0.001,   0.155)  ( 0.00,  0.00,  0.50)
183:     vdw     (  7.016,   4.718,  -1.422)  (  7.016,   4.718,  -1.422)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.039,  -1.196,   0.010)  ( -1.039,  -1.196,   0.010)  ( 0.00,  0.00,  0.00)
183:  6       ( -1.213,  11.041,   0.106)  ( -1.205,  11.049,  -0.021)  ( 0.68,  0.07,  1.35)
183:     bond    (-14.177,  30.083,  -0.172)  (-14.170,  30.088,  -0.172)  ( 0.05,  0.02,  0.00)
183:     angle   (  8.442, -39.763,   0.869)  (  8.444, -39.760,   0.869)  ( 0.03,  0.01,  0.03)
183:     strbnd  ( 11.495,   9.907,  -0.096)  ( 11.495,   9.907,  -0.096)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
181:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
181:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
181:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
181:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
181:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
181:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
181:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
181:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
181:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
181:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
181:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
181:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
181:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
181:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
181:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
181:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
181:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
181:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
181:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
181:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
181:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
181:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
181:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
181:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
181:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
181:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
181:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
181:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
181:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
181:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
181:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
181:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
181:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
181:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
181:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
181: ok 22 # gradients 
181: ok 23 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
181:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
181:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
181:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
181:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
181:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
181:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.463,   0.409,   1.503)  ( -0.406,   0.355,   1.294)  ( 2.62,  2.22, 13.86)
181:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
181:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
181:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
181:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
181:     oop     ( -0.337,   0.427,   1.409)  ( -0.287,   0.364,   1.198)  ( 1.69,  2.70, 14.97)
181:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
181:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
181:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
181:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
181:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
181:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
181:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
181:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
181:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
181:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
181:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
181:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
181:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
181:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
181:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
181:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
181:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
181:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
181:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
181:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
181:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
181:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
181:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
181:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
181:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
181:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
181:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
181:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.211,   0.490,   1.592)  ( -0.170,   0.415,   1.339)  ( 0.88,  3.66, 15.89)
181:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
181:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
181:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
181:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
181:     oop     ( -0.205,   0.452,   1.462)  ( -0.171,   0.371,   1.207)  ( 0.71,  3.68, 17.45)
181:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
181:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
181:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
181:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
181:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
181:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
181:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
181:  9       (  0.946,  -1.368,  -4.548)  (  0.837,  -1.147,  -3.903)  (10.32, 16.19, 14.19)
181:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
181:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
181:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
181:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
181:     oop     (  0.745,  -1.298,  -3.922)  (  0.629,  -1.083,  -3.278)  ( 8.65, 16.58, 16.41)
181:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
181:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
181: 10       ( -0.051,  -0.123,  -0.257)  ( -0.046,  -0.109,  -0.239)  ( 0.02,  0.17,  0.44)
181:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
181:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
181:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.383,   0.976,   3.097)  ( -0.383,   0.976,   3.098)  ( 0.00,  0.02,  0.04)
181:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
181:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
181:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
181: 11       ( -1.565,   1.497,  -6.484)  ( -1.426,   1.426,  -5.566)  ( 8.90,  4.71, 14.17)
181:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
181:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
181:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
181:     torsion (  0.030,  -0.147,  -1.459)  (  0.030,  -0.146,  -1.458)  ( 0.00,  0.00,  0.07)
181:     oop     ( -1.363,   1.188,  -6.786)  ( -1.230,   1.111,  -5.870)  ( 9.71,  6.48, 13.50)
181:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
181:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
181: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
181:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
181:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
181:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
181:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
181:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
181: 13       ( -0.161,   0.206,   0.379)  ( -0.135,   0.166,   0.239)  ( 0.42,  0.83,  5.33)
181:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
181:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
181:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.109,  -0.516,  -1.612)  (  0.109,  -0.516,  -1.611)  ( 0.00,  0.01,  0.06)
181:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
181:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
181:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
181: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
181:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
181:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
181:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
181: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
181:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
181:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
181:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
181:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
181: 16       (  0.592,  -6.830,  17.259)  (  0.475,  -6.321,  15.463)  ( 6.92,  7.44, 10.40)
181:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
181:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
181:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
181:     torsion (  2.180,  -3.338,  -2.414)  (  2.180,  -3.338,  -2.413)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.730,  -6.148,  15.666)  (  0.607,  -5.645,  13.868)  ( 8.98,  8.18, 11.48)
181:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
181:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
181: 17       ( -0.326,   0.524,   1.534)  ( -0.284,   0.447,   1.326)  ( 1.35,  4.06, 13.53)
181:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
181:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
181:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
181:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.243,   0.495,   1.264)  ( -0.205,   0.412,   1.051)  ( 0.93,  4.15, 16.89)
181:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
181:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
181: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
181:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
181:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
181:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
181:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.014,   3.511,  -4.590)  (  0.033,   3.229,  -4.205)  ( 0.06,  8.04,  8.38)
181:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
181:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
181:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
181:     torsion ( -2.284,   2.619,  -3.338)  ( -2.284,   2.619,  -3.338)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.200,   3.236,  -4.287)  ( -0.160,   2.949,  -3.907)  ( 0.82,  8.88,  8.84)
181:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
181:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
181: 20       (  1.087,   1.726,  -6.160)  (  1.026,   1.634,  -5.527)  ( 5.62,  5.35, 10.28)
181:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
181:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
181:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
181:     torsion ( -0.113,   0.216,   3.410)  ( -0.113,   0.216,   3.410)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.933,   1.474,  -5.351)  (  0.867,   1.376,  -4.724)  ( 6.12,  6.66, 11.72)
181:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
181:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
181: 21       (  0.043,   0.049,  -0.100)  (  0.045,   0.051,  -0.100)  ( 0.01,  0.01,  0.01)
181:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
181:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
181:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.131,   0.198,   0.029)  (  0.131,   0.198,   0.029)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.097,   0.001,  -0.021)  ( -0.097,   0.002,  -0.017)  ( 0.01,  0.00,  0.01)
181:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
181:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
181:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.253,  -0.745,  -0.255)  (  0.253,  -0.745,  -0.255)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
181:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
179: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
179:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
179:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
179:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
179:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
179:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
179:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
179:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
179:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
179:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
179:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
179:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
179:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
179:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
179:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 74       (  0.198,   2.184,  -1.550)  (  0.200,   2.185,  -1.547)  ( 0.04,  0.04,  0.23)
179:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
179:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
179:     electro (  0.081,   0.018,  -0.168)  (  0.081,   0.018,  -0.168)  ( 0.00,  0.00,  0.00)
179: ok 22 # gradients 
179: ok 23 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -0.188,  -0.096,  -0.051)  ( -0.199,  -0.052,  -0.005)  ( 0.20,  0.42,  0.24)
179:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
179:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
179:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
179:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
179:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
179:     electro (  0.268,  -0.021,   0.047)  (  0.268,  -0.021,   0.047)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.091,  -0.060,  -0.056)  ( -0.090,  -0.044,  -0.030)  ( 0.01,  0.09,  0.14)
179:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
179:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
179:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
179:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
179:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
179:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
179:     electro (  0.606,   1.196,  -0.282)  (  0.606,   1.196,  -0.282)  ( 0.00,  0.00,  0.00)
179:  3       (  0.200,  -0.018,  -0.182)  (  0.192,  -0.006,  -0.027)  ( 0.16,  0.02,  2.83)
179:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
179:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
179:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
179:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
179:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
179:     electro (  9.492,  -5.898,   4.971)  (  9.492,  -5.898,   4.971)  ( 0.00,  0.00,  0.00)
179:  4       (  0.068,   0.192,   0.159)  (  0.107,   0.130,  -0.008)  ( 0.27,  1.19,  2.64)
179:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
179:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
179:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
179:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
179:     electro ( -8.246,   1.938,  -3.102)  ( -8.246,   1.938,  -3.102)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.011,  -0.146,  -0.052)  ( -0.021,  -0.112,   0.008)  ( 0.01,  0.49,  0.32)
179:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
179:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
179:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
179:     electro (  5.466,   0.293,   2.253)  (  5.466,   0.293,   2.253)  ( 0.00,  0.00,  0.00)
179:  6       (  0.048,  -0.085,  -0.062)  (  0.044,  -0.054,   0.004)  ( 0.02,  0.27,  0.41)
179:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
179:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
179:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
179:     electro (  0.469,  -0.490,   0.178)  (  0.469,  -0.490,   0.178)  ( 0.00,  0.00,  0.00)
179:  7       (  0.011,   0.004,  -0.004)  (  0.016,   0.016,   0.020)  ( 0.01,  0.00,  0.01)
179:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
179:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
179:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
179:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
179:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
179:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
179:     electro (  0.284,  -0.738,   0.237)  (  0.284,  -0.738,   0.237)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.038,  -0.007,  -0.024)  ( -0.033,   0.006,  -0.005)  ( 0.02,  0.01,  0.05)
179:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
179:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
179:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
179:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
179:     electro (  2.471,   0.227,   0.198)  (  2.471,   0.227,   0.198)  ( 0.00,  0.00,  0.00)
179:  9       (  0.068,   0.165,   0.082)  (  0.096,   0.132,  -0.033)  ( 0.19,  0.54,  0.94)
179:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
179:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
179:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
179:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
179:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
179:     electro (  1.123,   2.820,   0.950)  (  1.123,   2.820,   0.950)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.080,  -0.040,  -0.026)  ( -0.075,  -0.026,  -0.009)  ( 0.04,  0.06,  0.05)
179:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
179:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
179:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
179:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
179:     electro (  1.066,   1.459,  -0.063)  (  1.066,   1.459,  -0.063)  ( 0.00,  0.00,  0.00)
179: 11       (  0.070,  -0.162,  -0.073)  (  0.027,  -0.066,   0.009)  ( 0.31,  1.57,  0.61)
179:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
179:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
179:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
179:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
179:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
179:     electro (  0.459,   0.390,   0.111)  (  0.459,   0.390,   0.111)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.002,   0.033,   0.022)  (  0.002,   0.028,  -0.000)  ( 0.00,  0.02,  0.05)
183:     torsion ( -0.428,  -0.249,  -1.278)  ( -0.428,  -0.249,  -1.277)  ( 0.00,  0.00,  0.07)
183:     oop     ( -0.000,   0.003,   0.773)  ( -0.000,   0.003,   0.645)  ( 0.00,  0.00,  9.94)
183:     vdw     ( -6.893,  11.755,   0.015)  ( -6.893,  11.755,   0.015)  ( 0.00,  0.00,  0.00)
183:     electro (  0.348,  -0.695,  -0.005)  (  0.348,  -0.695,  -0.005)  ( 0.00,  0.00,  0.00)
183:  7       (-20.145,  -5.329,  -0.891)  (-20.132,  -5.320,  -0.769)  ( 0.07,  0.16, 10.85)
183:     bond    ( 14.169,   8.086,   0.243)  ( 14.182,   8.092,   0.243)  ( 0.09,  0.08,  0.01)
183:     angle   (-42.998, -14.458,  -0.436)  (-42.996, -14.456,  -0.436)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( 11.153,   0.471,   0.082)  ( 11.151,   0.470,   0.082)  ( 0.01,  0.04,  0.00)
183:     torsion ( -0.004,  -0.002,   0.375)  ( -0.004,  -0.002,   0.376)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.003,  -0.000,  -0.845)  (  0.003,  -0.000,  -0.724)  ( 0.00,  0.00, 10.22)
183:     vdw     ( -7.050,  -0.891,  -0.311)  ( -7.050,  -0.891,  -0.311)  ( 0.00,  0.01,  0.00)
183:     electro (  4.583,   1.466,   0.001)  (  4.583,   1.466,   0.001)  ( 0.00,  0.00,  0.00)
183:  8       (-52.573,  -1.900,  -0.457)  (-52.562,  -1.899,  -0.525)  ( 0.02,  0.06,  3.09)
183:     bond    (-33.079,   0.439,  -0.219)  (-33.068,   0.439,  -0.220)  ( 0.03,  0.01,  0.00)
183:     angle   (  0.010,   0.811,   0.102)  (  0.010,   0.812,   0.102)  ( 0.00,  0.09,  0.00)
183:     strbnd  (-14.392,  -0.434,  -0.079)  (-14.392,  -0.434,  -0.079)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,  -0.000,  -0.096)  (  0.001,  -0.000,  -0.096)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.002,  -0.000,   0.361)  ( -0.002,  -0.000,   0.293)  ( 0.00,  0.00,  2.44)
183:     vdw     ( -5.725,  -2.617,  -0.509)  ( -5.725,  -2.617,  -0.509)  ( 0.00,  0.01,  0.00)
183:     electro (  0.615,  -0.099,  -0.017)  (  0.615,  -0.099,  -0.017)  ( 0.00,  0.00,  0.00)
183:  9       (-31.749, -12.688,  -0.521)  (-31.740, -12.679,  -0.557)  ( 0.03,  0.06,  1.90)
183:     bond    (-31.682, -14.421,  -0.455)  (-31.675, -14.415,  -0.455)  ( 0.02,  0.04,  0.00)
183:     angle   (  5.174,   7.290,   0.065)  (  5.177,   7.293,   0.066)  ( 0.05,  0.03,  0.00)
183:     strbnd  ( -6.582,  -2.350,  -0.240)  ( -6.583,  -2.351,  -0.240)  ( 0.02,  0.05,  0.00)
183:     torsion (  0.000,   0.005,  -0.080)  (  0.000,   0.005,  -0.079)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.001,  -0.003,   0.207)  ( -0.000,  -0.002,   0.169)  ( 0.00,  0.00,  0.78)
183:     vdw     (  1.438,  -3.381,  -0.019)  (  1.438,  -3.381,  -0.019)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.095,   0.172,   0.001)  ( -0.095,   0.172,   0.001)  ( 0.00,  0.00,  0.00)
183: 10       (-10.933, -27.650,  -0.039)  (-10.928, -27.644,  -0.102)  ( 0.04,  0.02,  0.25)
183:     bond    (-32.483, -35.767,  -0.526)  (-32.480, -35.763,  -0.526)  ( 0.01,  0.01,  0.01)
183:     angle   ( 26.625,   6.434,  -0.197)  ( 26.627,   6.434,  -0.197)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -1.629,   3.816,   0.065)  ( -1.629,   3.816,   0.065)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.008,  -0.005,   0.486)  (  0.008,  -0.005,   0.486)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.002,  -0.005,   0.355)  (  0.001,  -0.005,   0.291)  ( 0.00,  0.00,  2.26)
183:     vdw     ( -3.198,  -3.532,  -0.228)  ( -3.198,  -3.531,  -0.228)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.259,   1.410,   0.007)  ( -0.259,   1.410,   0.007)  ( 0.00,  0.00,  0.00)
183: 11       ( 35.883,   8.664,  -0.338)  ( 35.889,   8.671,  -0.245)  ( 0.02,  0.08,  3.13)
183:     bond    ( 44.495,  11.383,   0.093)  ( 44.502,  11.390,   0.093)  ( 0.01,  0.06,  0.00)
183:     angle   ( -0.477,  -4.825,  -0.116)  ( -0.475,  -4.823,  -0.116)  ( 0.09,  0.05,  0.00)
183:     strbnd  (-12.211,   2.309,   0.059)  (-12.213,   2.308,   0.059)  ( 0.02,  0.02,  0.00)
183:     torsion ( -0.001,  -0.001,   0.053)  ( -0.001,  -0.001,   0.054)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.010,  -0.488)  ( -0.000,   0.008,  -0.397)  ( 0.00,  0.00,  4.49)
183:     vdw     (  4.096,  -0.193,   0.062)  (  4.096,  -0.193,   0.062)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.018,  -0.019,  -0.000)  ( -0.018,  -0.019,  -0.000)  ( 0.00,  0.00,  0.00)
183: 12       ( 17.293,   2.712,   1.183)  ( 17.298,   2.719,   1.174)  ( 0.03,  0.24,  0.78)
181:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
181:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
181:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
181:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
181: 24       (  0.041,   0.038,  -0.066)  (  0.041,   0.040,  -0.065)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
181:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
181:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.220,   0.007,  -0.016)  (  0.220,   0.007,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
181:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
181:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
181:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
181:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
181:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
181: 26       ( -0.052,  -0.091,  -0.008)  ( -0.051,  -0.090,  -0.005)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
181:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
181:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.517,   0.425,   0.276)  ( -0.517,   0.425,   0.276)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
181:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
181:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
181:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
181:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
181:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
181: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
181:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
181:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
181:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
181:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
181:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
181:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
181:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
181:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
181:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
181:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
181:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
181:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
181: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
181:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
181:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
181:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
181:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
181: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
181:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
181:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
181:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
194/229 Test #197: test_math_4 ......................   Passed    6.40 sec
test 198
        Start 198: test_mol_1

198: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "mol" "1"
198: Environment variables: 
198:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
198:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
198: Test timeout computed to be: 1500
179:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
179:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
179:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
179:     electro (  0.582,  -1.781,   0.164)  (  0.582,  -1.781,   0.164)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.131,   0.117,   0.103)  ( -0.105,   0.076,  -0.037)  ( 0.34,  0.47,  1.45)
179:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
179:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
179:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
179:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
179:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.443,  -3.284,   0.838)  ( -2.443,  -3.284,   0.838)  ( 0.00,  0.00,  0.00)
179: 14       ( -0.003,   0.005,   0.001)  ( -0.002,   0.008,  -0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
179:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.319,  -0.195,   0.058)  ( -1.319,  -0.195,   0.058)  ( 0.00,  0.00,  0.00)
179: 15       (  0.084,  -0.049,   0.001)  (  0.085,  -0.040,   0.023)  ( 0.00,  0.04,  0.00)
179:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
179:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
179:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
179:     electro (  0.531,  -0.461,  -0.087)  (  0.531,  -0.461,  -0.087)  ( 0.00,  0.00,  0.00)
179: 16       ( -0.036,   0.120,  -0.185)  (  0.001,   0.011,   0.028)  ( 0.13,  1.30,  3.96)
179:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
179:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
179:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
179:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
179:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
179:     electro (-16.806,  -0.461,  -6.188)  (-16.806,  -0.461,  -6.188)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.042,  -0.053,   0.059)  ( -0.045,  -0.033,   0.101)  ( 0.01,  0.11,  0.25)
179:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
179:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
179:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
179:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
179:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
179:     electro (  0.114,   0.437,  -0.136)  (  0.114,   0.437,  -0.136)  ( 0.00,  0.00,  0.00)
179: 18       (  0.022,  -0.013,   0.018)  (  0.025,  -0.012,   0.017)  ( 0.01,  0.00,  0.00)
179:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
179:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
179:     electro ( -2.672,  -0.977,   0.240)  ( -2.672,  -0.977,   0.240)  ( 0.00,  0.00,  0.00)
179: 19       (  0.012,  -0.001,   0.074)  (  0.011,   0.052,   0.016)  ( 0.00,  0.01,  0.42)
179:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
179:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
179:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
179:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
179:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
179:     electro ( -3.811,  -0.439,   2.744)  ( -3.811,  -0.439,   2.744)  ( 0.00,  0.00,  0.00)
179: 20       ( -0.013,  -0.015,   0.097)  (  0.002,   0.007,  -0.001)  ( 0.02,  0.03,  0.95)
179:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
179:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
179:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
179:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
179:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
179:     electro ( -1.539,  -7.118,   0.328)  ( -1.539,  -7.118,   0.328)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
179:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
179:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
179:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
179:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  0.003,  -0.104,  -0.010)  (  0.007,  -0.098,  -0.004)  ( 0.00,  0.06,  0.01)
179:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
198: # Unit tests for OBMol 
198: ok 1
198: ok 2
198: ok 3
198: ok 4
198: ok 5
198: ok 6
198: ok 7
198: ok 8
198: ok 9
198: ok 10
198: ok 11
198: ok 12
198: ok 13
198: ==============================
198: *** Open Babel Warning  in GetSpacedFormula
198:   Skipping unknown element with atomic number 200
198: ok 14
198: ok 15 0
198: 1..15
195/229 Test #198: test_mol_1 .......................   Passed    1.01 sec
test 199
        Start 199: test_pdbreadfile_1

199: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "pdbreadfile" "1"
199: Environment variables: 
199:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
199:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
199: Test timeout computed to be: 1500
181:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
181:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
181:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
181: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
181:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
181:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
181:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
181: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
181:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
181:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
181:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
181:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
181:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
181: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
181:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
181:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
181:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
181:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
181:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
181: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
181:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
181:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
181:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
181: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
181:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
181:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
183:     bond    ( 20.776,   7.319,   0.909)  ( 20.781,   7.324,   0.914)  ( 0.02,  0.06,  0.43)
183:     angle   (-13.754,  -4.812,  -0.102)  (-13.752,  -4.809,  -0.101)  ( 0.01,  0.04,  0.02)
183:     strbnd  ( 12.427,   3.908,   0.157)  ( 12.424,   3.908,   0.156)  ( 0.02,  0.02,  0.01)
183:     torsion ( -0.002,  -0.005,   0.222)  ( -0.002,  -0.005,   0.222)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.001,  -0.001,   0.057)  ( -0.000,  -0.001,   0.042)  ( 0.00,  0.00,  0.09)
183:     vdw     ( -1.953,  -4.180,  -0.065)  ( -1.953,  -4.180,  -0.065)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.199,   0.482,   0.005)  ( -0.199,   0.482,   0.005)  ( 0.00,  0.00,  0.00)
183: 13       (-10.045,  -5.608,   1.125)  (-10.040,  -5.601,   1.145)  ( 0.05,  0.12,  1.79)
183:     bond    (-22.923,  -0.335,   0.145)  (-22.919,  -0.330,   0.150)  ( 0.02,  0.16,  0.07)
183:     angle   (  7.410,   2.850,  -0.382)  (  7.411,   2.852,  -0.380)  ( 0.03,  0.07,  0.06)
183:     strbnd  (  0.558,  -0.831,  -0.003)  (  0.557,  -0.831,  -0.003)  ( 0.07,  0.03,  0.00)
183:     torsion (  0.051,  -3.726,   1.437)  (  0.051,  -3.726,   1.438)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.001,  -0.000,  -0.079)  ( -0.001,  -0.000,  -0.065)  ( 0.00,  0.00,  0.11)
183:     vdw     (  6.098,  -3.967,   0.005)  (  6.098,  -3.967,   0.005)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.238,   0.401,   0.001)  ( -1.238,   0.401,   0.001)  ( 0.00,  0.00,  0.00)
183: 14       (  6.287,  -6.477,   3.822)  (  6.293,  -6.472,   3.842)  ( 0.10,  0.08,  0.53)
183:     bond    ( 11.197, -20.692,  -0.065)  ( 11.201, -20.688,  -0.061)  ( 0.04,  0.02,  0.03)
183:     angle   ( -3.458,   7.005,  -0.620)  ( -3.456,   7.007,  -0.619)  ( 0.06,  0.03,  0.09)
183:     strbnd  (  0.022,   0.227,   0.010)  (  0.021,   0.226,   0.009)  ( 0.00,  0.02,  0.00)
183:     torsion (  2.182,   1.253,   4.593)  (  2.182,   1.253,   4.593)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.001,  -0.092)  (  0.000,  -0.001,  -0.078)  ( 0.00,  0.00,  0.13)
183:     vdw     ( -4.679,   7.355,  -0.008)  ( -4.679,   7.355,  -0.008)  ( 0.00,  0.00,  0.00)
183:     electro (  1.023,  -1.624,   0.005)  (  1.023,  -1.624,   0.005)  ( 0.00,  0.00,  0.00)
183: 15       ( -0.856,   6.294,   0.492)  ( -0.855,   6.299,   0.441)  ( 0.07,  0.08,  2.50)
183:     bond    ( -0.036,   7.926,   0.175)  ( -0.036,   7.930,   0.175)  ( 0.00,  0.05,  0.00)
183:     angle   ( -5.802,  -0.026,  -0.014)  ( -5.802,  -0.026,  -0.014)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  3.604,  -0.129,  -0.013)  (  3.604,  -0.129,  -0.013)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,  -0.003,   0.136)  (  0.001,  -0.003,   0.136)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.005,   0.223)  (  0.000,  -0.004,   0.172)  ( 0.00,  0.00,  1.13)
183:     vdw     (  1.248,  -1.217,  -0.011)  (  1.248,  -1.217,  -0.011)  ( 0.00,  0.00,  0.00)
183:     electro (  0.130,  -0.252,  -0.003)  (  0.130,  -0.252,  -0.003)  ( 0.00,  0.00,  0.00)
183: 16       (  3.795,  -2.075,  -0.170)  (  3.796,  -2.072,  -0.169)  ( 0.02,  0.17,  0.01)
183:     bond    ( -0.033,  -1.994,  -0.084)  ( -0.033,  -1.991,  -0.084)  ( 0.00,  0.17,  0.00)
183:     angle   (  5.569,  -0.090,  -0.056)  (  5.570,  -0.090,  -0.056)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  2.049,   1.116,   0.067)  (  2.049,   1.116,   0.067)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,   0.000,  -0.009)  (  0.000,   0.000,  -0.009)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.791,  -1.108,  -0.087)  ( -3.791,  -1.108,  -0.087)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 17       (  3.734,   1.697,   3.317)  (  3.735,   1.697,   3.320)  ( 0.03,  0.05,  0.08)
183:     bond    ( -0.653,   0.424,   1.150)  ( -0.653,   0.424,   1.152)  ( 0.05,  0.01,  0.21)
183:     angle   (  4.116,   2.173,   1.530)  (  4.116,   2.174,   1.530)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  2.185,   0.599,  -0.219)  (  2.185,   0.599,  -0.219)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.003,  -0.008,   0.004)  (  0.003,  -0.008,   0.004)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.916,  -1.492,   0.852)  ( -1.916,  -1.492,   0.852)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 18       (  3.357,   1.877,  -3.735)  (  3.358,   1.877,  -3.733)  ( 0.04,  0.05,  0.07)
183:     bond    ( -0.951,   0.766,  -1.640)  ( -0.950,   0.766,  -1.638)  ( 0.07,  0.04,  0.14)
183:     angle   (  4.217,   2.283,  -1.378)  (  4.217,   2.284,  -1.377)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  2.195,   0.574,   0.319)  (  2.195,   0.574,   0.319)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.003,   0.007,   0.005)  ( -0.003,   0.007,   0.005)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.102,  -1.754,  -1.042)  ( -2.101,  -1.754,  -1.042)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 19       ( -0.948,   1.749,  -2.994)  ( -0.947,   1.750,  -2.991)  ( 0.08,  0.04,  0.10)
183:     bond    (  0.687,   0.547,  -1.969)  (  0.688,   0.547,  -1.967)  ( 0.02,  0.01,  0.15)
183:     angle   ( -2.117,   0.190,  -0.687)  ( -2.116,   0.190,  -0.687)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -1.351,  -0.031,   0.069)  ( -1.351,  -0.031,   0.069)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.009,   1.344,   0.371)  ( -0.009,   1.344,   0.371)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.840,  -0.300,  -0.777)  (  1.840,  -0.300,  -0.777)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       (  3.214,  -1.427,   1.320)  (  3.215,  -1.424,   1.320)  ( 0.03,  0.21,  0.05)
183:     bond    (  0.757,  -1.956,   0.504)  (  0.757,  -1.953,   0.504)  ( 0.03,  0.15,  0.01)
183:     angle   ( -2.944,  -1.085,   0.217)  ( -2.943,  -1.085,   0.218)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -1.362,   0.055,  -0.006)  ( -1.362,   0.055,  -0.006)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,  -0.023,  -0.087)  ( -0.001,  -0.023,  -0.087)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.765,   1.580,   0.691)  (  6.765,   1.580,   0.691)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       (  1.311,   2.298,   1.796)  (  1.312,   2.300,   1.798)  ( 0.07,  0.08,  0.10)
183:     bond    (  0.773,   1.536,   1.536)  (  0.773,   1.538,   1.538)  ( 0.03,  0.10,  0.10)
183:     angle   ( -2.380,   0.642,   0.554)  ( -2.380,   0.642,   0.554)  ( 0.02,  0.02,  0.01)
183:     strbnd  ( -1.349,  -0.045,  -0.017)  ( -1.349,  -0.045,  -0.017)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.034,   1.670,  -1.653)  ( -0.034,   1.670,  -1.653)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.301,  -1.506,   1.375)  (  4.301,  -1.506,   1.375)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       ( -2.919,   0.875,   1.448)  ( -2.916,   0.876,   1.450)  ( 0.08,  0.06,  0.11)
183:     bond    ( -1.870,  -0.110,   1.417)  ( -1.868,  -0.110,   1.418)  ( 0.12,  0.00,  0.09)
183:     angle   (  0.520,  -2.593,   0.484)  (  0.520,  -2.593,   0.484)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  0.654,  -1.205,   0.011)  (  0.654,  -1.205,   0.011)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.476,  -0.834,  -2.010)  ( -1.476,  -0.834,  -2.010)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.746,   5.617,   1.547)  ( -0.746,   5.617,   1.547)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( -2.177,   4.626,   0.844)  ( -2.175,   4.628,   0.845)  ( 0.08,  0.05,  0.06)
183:     bond    (  1.483,   1.776,   0.765)  (  1.485,   1.778,   0.766)  ( 0.09,  0.10,  0.03)
183:     angle   (  2.624,  -2.307,   0.268)  (  2.625,  -2.307,   0.268)  ( 0.01,  0.01,  0.01)
183:     strbnd  (  0.634,  -1.241,  -0.006)  (  0.634,  -1.242,  -0.006)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.519,   0.264,  -1.620)  (  0.519,   0.264,  -1.620)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -7.437,   6.134,   1.436)  ( -7.437,   6.134,   1.436)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       ( -0.385,  -1.508,  -3.050)  ( -0.385,  -1.508,  -3.047)  ( 0.03,  0.04,  0.10)
183:     bond    ( -0.615,   0.404,  -1.895)  ( -0.615,   0.404,  -1.892)  ( 0.02,  0.01,  0.16)
183:     angle   (  0.873,  -1.806,  -0.669)  (  0.873,  -1.806,  -0.669)  ( 0.04,  0.03,  0.01)
183:     strbnd  (  0.665,  -1.206,   0.041)  (  0.665,  -1.206,   0.041)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.796,  -0.434,   0.166)  ( -0.796,  -0.434,   0.166)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.512,   1.534,  -0.692)  ( -0.512,   1.534,  -0.692)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 20 # gradients 
183: ok 21 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/cholesterol.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
179:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
179:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
179:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro (  0.755,   3.009,   0.796)  (  0.755,   3.009,   0.796)  ( 0.00,  0.00,  0.00)
179: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
179:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.066,  -0.058,  -0.075)  (  0.072,  -0.052,  -0.069)  ( 0.04,  0.03,  0.04)
179:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
179:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
179:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
179:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
179:     electro (  3.006,  -1.338,  -1.097)  (  3.006,  -1.338,  -1.097)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
179:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.053,   0.087,   0.044)  ( -0.047,   0.093,   0.047)  ( 0.03,  0.05,  0.01)
179:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
179:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
179:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
179:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
179:     electro ( 16.093,  10.014,   3.054)  ( 16.093,  10.014,   3.054)  ( 0.00,  0.00,  0.00)
179: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
179:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
181: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
181:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
181:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
181:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
181: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
181:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
181:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
181:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
181:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
181: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
181:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
181:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
181:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
181:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
181: ok 24 # gradients 
181: ok 25 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
199: # Unit tests for OBMol 
199: ok 1
199: ok 2!
199: ok 3!
199: ok 4!
199: ok 5!
199: ok 6!
199: ok 7!
199: ok 8!
199: 1..6
196/229 Test #199: test_pdbreadfile_1 ...............   Passed    1.47 sec
test 200
        Start 200: test_pdbreadfile_2

200: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "pdbreadfile" "2"
200: Environment variables: 
200:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
200:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
200: Test timeout computed to be: 1500
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 1)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 2)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 3)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 4)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 5)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 6)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 7)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 8)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 9)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 10)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 11)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 12)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 13)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 14)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 15)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 16)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 17)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 18)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 19)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 20)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 21)
200: ==============================
200: *** Open Babel Warning  in parseAtomRecord
200:   WARNING: Problems reading a PDB file
200:   Problems reading a HETATM or ATOM record.
200:   According to the PDB specification,
200:   columns 77-78 should contain the element symbol of an atom.
200:   but OpenBabel found '  ' (atom 22)
200: # Unit tests for OBMol 
200: ok 1
200: ok 2!
200: ok 3!
200: ok 4!
200: ok 5!
200: ok 6!
200: ok 7!
200: ok 8!
200: 1..6
197/229 Test #200: test_pdbreadfile_2 ...............   Passed    0.58 sec
test 201
        Start 201: test_pdbreadfile_3

201: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "pdbreadfile" "3"
201: Environment variables: 
201:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
201:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
201: Test timeout computed to be: 1500
181:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
181:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
181:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
181:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
181:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
181:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
181:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
181:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
181:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
181:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
181:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
181:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
181:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
181:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
181:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
181:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
181:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
181:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
181:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
181:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
181:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
181:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
181:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
181:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
181:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
181:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
181:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
181:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
181:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
181:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
181:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
181:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
181:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
181:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
181:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
181:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
201: # Unit tests for OBMol 
201: ok 1
201: ok 2!
201: ok 3!
201: ok 4!
201: ok 5!
201: ok 6!
201: ok 7!
201: ok 8!
201: 1..6
198/229 Test #201: test_pdbreadfile_3 ...............   Passed    0.64 sec
test 202
        Start 202: test_pdbreadfile_4

202: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "pdbreadfile" "4"
202: Environment variables: 
202:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
202:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
202: Test timeout computed to be: 1500
183:  1       (  1.436,   0.635,  -0.080)  (  1.441,   0.640,  -0.074)  ( 0.35,  0.34,  0.05)
183:     bond    (  0.905,   2.623,   8.120)  (  0.909,   2.627,   8.124)  ( 0.37,  0.15,  0.05)
183:     angle   (  7.385,   0.772,  -9.892)  (  7.388,   0.774,  -9.889)  ( 0.03,  0.16,  0.02)
183:     strbnd  (  0.181,   1.490,  -0.840)  (  0.180,   1.489,  -0.841)  ( 0.02,  0.06,  0.05)
183:     torsion ( -3.658,  -1.057,   2.616)  ( -3.658,  -1.057,   2.616)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.221,  -3.068,  -0.045)  ( -3.221,  -3.068,  -0.045)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.156,  -0.125,  -0.039)  ( -0.156,  -0.125,  -0.039)  ( 0.00,  0.00,  0.00)
183:  2       (  0.736,   0.034,   0.004)  (  0.742,   0.039,   0.010)  ( 0.41,  0.02,  0.00)
183:     bond    ( 11.123,  -1.351,  -2.048)  ( 11.127,  -1.347,  -2.044)  ( 0.04,  0.29,  0.21)
183:     angle   ( -8.045,   1.278,   9.737)  ( -8.043,   1.280,   9.739)  ( 0.03,  0.16,  0.02)
183:     strbnd  (  0.965,  -2.280,   1.631)  (  0.965,  -2.281,   1.630)  ( 0.07,  0.04,  0.02)
183:     torsion (  4.294,   0.736,  -3.479)  (  4.294,   0.736,  -3.478)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -7.601,   1.652,  -5.836)  ( -7.601,   1.652,  -5.836)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       (  0.562,   0.076,  -0.092)  (  0.566,   0.081,  -0.087)  ( 0.27,  0.04,  0.05)
183:     bond    (  6.097,  -9.677,  17.390)  (  6.101,  -9.673,  17.394)  ( 0.06,  0.04,  0.02)
183:     angle   ( -1.378,   4.252, -13.110)  ( -1.376,   4.254, -13.108)  ( 0.15,  0.05,  0.02)
183:     strbnd  (  0.257,   0.181,  -0.552)  (  0.256,   0.180,  -0.552)  ( 0.03,  0.01,  0.03)
183:     torsion ( -0.355,   2.764,   0.802)  ( -0.355,   2.764,   0.802)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.059,   2.557,  -4.623)  ( -4.059,   2.557,  -4.623)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       (  1.512,   0.156,  -0.055)  (  1.517,   0.176,   0.019)  ( 0.34,  0.31,  0.40)
183:     bond    (  8.642,  10.885,  -8.146)  (  8.646,  10.889,  -8.142)  ( 0.04,  0.04,  0.05)
183:     angle   ( -7.598,  -8.113,  12.883)  ( -7.596,  -8.111,  12.884)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -1.384,   1.903,  -1.050)  ( -1.385,   1.903,  -1.050)  ( 0.08,  0.03,  0.05)
183:     torsion (  3.685,   2.177,  -4.847)  (  3.685,   2.177,  -4.846)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.002,  -0.088,  -0.446)  ( -0.002,  -0.075,  -0.377)  ( 0.00,  0.12,  3.03)
183:     vdw     ( -1.895,  -6.707,   1.430)  ( -1.894,  -6.706,   1.430)  ( 0.00,  0.00,  0.00)
183:     electro (  0.063,   0.099,   0.121)  (  0.063,   0.099,   0.121)  ( 0.00,  0.00,  0.00)
183:  5       ( -8.945,   4.312,  -0.274)  ( -8.934,   4.277,  -0.481)  ( 0.12,  0.80,  5.66)
183:     bond    (-12.705,  14.137,  -1.636)  (-12.697,  14.141,  -1.636)  ( 0.06,  0.03,  0.02)
183:     angle   (  1.253,   3.126,  -9.477)  (  1.254,   3.128,  -9.476)  ( 0.12,  0.05,  0.01)
183:     strbnd  (  1.419,  -3.117,   0.027)  (  1.419,  -3.117,   0.027)  ( 0.04,  0.02,  0.00)
183:     torsion ( -0.255,   1.581,   7.797)  ( -0.255,   1.581,   7.798)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.011,   0.244,   1.272)  ( -0.008,   0.203,   1.063)  ( 0.00,  0.98, 16.38)
183:     vdw     (  0.999, -11.742,   1.783)  (  0.999, -11.742,   1.783)  ( 0.02,  0.00,  0.00)
183:     electro (  0.355,   0.083,  -0.040)  (  0.355,   0.083,  -0.040)  ( 0.00,  0.00,  0.00)
183:  6       (  8.712,  -4.725,   1.481)  (  8.721,  -4.712,   1.502)  ( 0.11,  0.28,  1.43)
183:     bond    (  3.884,   4.853,  -0.204)  (  3.892,   4.858,  -0.204)  ( 0.19,  0.11,  0.01)
183:     angle   (  1.621,  -0.921,   2.154)  (  1.622,  -0.919,   2.155)  ( 0.08,  0.16,  0.02)
183:     strbnd  ( -1.690,   1.656,  -0.349)  ( -1.691,   1.655,  -0.349)  ( 0.04,  0.03,  0.00)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 1)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 2)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 3)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 4)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 5)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 6)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 7)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 8)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 9)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 10)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 11)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 12)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 13)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 14)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 15)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 16)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 17)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 18)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 19)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 20)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 21)
202: ==============================
202: *** Open Babel Warning  in parseAtomRecord
202:   WARNING: Problems reading a PDB file
202:   Problems reading a HETATM or ATOM record.
202:   According to the PDB specification,
202:   columns 77-78 should contain the element symbol of an atom.
202:   but OpenBabel found '  ' (atom 22)
202: # Unit tests for OBMol 
202: ok 1
202: ok 2!
202: ok 3!
202: ok 4!
202: ok 5!
202: ok 6!
202: ok 7!
202: ok 8!
202: 1..6
199/229 Test #202: test_pdbreadfile_4 ...............   Passed    0.57 sec
test 203
        Start 203: test_phmodel_1

203: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "phmodel" "1"
203: Environment variables: 
203:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
203:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
203: Test timeout computed to be: 1500
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
179:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
179:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
179:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
179:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.003,  -0.016,  -0.010)  (  0.005,  -0.014,  -0.009)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
179:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.789,  -0.550,  -0.623)  ( -0.789,  -0.550,  -0.623)  ( 0.00,  0.00,  0.00)
179: 33       ( -0.030,  -0.053,   0.105)  ( -0.019,  -0.047,   0.022)  ( 0.03,  0.03,  0.87)
179:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
179:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
179:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
179:     electro (-16.031,  12.066,  -4.968)  (-16.031,  12.066,  -4.968)  ( 0.00,  0.00,  0.00)
179: 34       (  0.021,   0.161,   0.031)  (  0.031,   0.164,  -0.005)  ( 0.02,  0.05,  0.11)
179:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
179:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
179:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
203: # Asp
203: #pH = 1.0 : [NH3+]C(CC(=O)O)C(=O)O	
203: ok 1
203: #pH = 3.9 : [NH3+]C(CC(=O)[O-])C(=O)O	
203: ok 2
203: #pH = 7.4 : [NH3+]C(CC(=O)[O-])C(=O)[O-]	
203: ok 3
203: #pH = 13.0 : NC(CC(=O)[O-])C(=O)[O-]	
203: ok 4
203: # Glu
203: #pH = 1.0 : [NH3+]C(CCC(=O)O)C(=O)O	
203: ok 5
203: #pH = 4.15 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
203: #pH = 7.4 : [NH3+]C(CCC(=O)[O-])C(=O)[O-]	
203: ok 6
203: #pH = 13.0 : NC(CCC(=O)[O-])C(=O)[O-]	
203: ok 7
203: # His
203: #pH = 1.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)O	
203: ok 8
203: #pH = 5.0 : [NH3+]C(Cc1[nH+]c[nH]c1)C(=O)[O-]	
203: ok 9
203: #pH = 7.4 : [NH3+]C(Cc1nc[nH]c1)C(=O)[O-]	
203: ok 10
203: #pH = 13.0 : NC(Cc1nc[nH]c1)C(=O)[O-]	
203: ok 11
203: # Lys
203: #pH = 1.0 : [NH3+]C(CCCC[NH3+])C(=O)O	
203: ok 12
203: #pH = 7.4 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
203: ok 13
203: #pH = 9.0 : [NH3+]C(CCCC[NH3+])C(=O)[O-]	
203: #pH = 13.0 : NC(CCCCN)C(=O)[O-]	
203: ok 14
203: # Tyr
203: #pH = 1.0 : [NH3+]C(Cc1ccc(O)cc1)C(=O)O	
203: ok 15
203: #pH = 7.4 : [NH3+]C(Cc1ccc(O)cc1)C(=O)[O-]	
203: ok 16
203: #pH = 10.05 : NC(Cc1ccc(O)cc1)C(=O)[O-]	
203: ok 17
203: #pH = 13.0 : NC(Cc1ccc([O-])cc1)C(=O)[O-]	
203: ok 18
203: # Arg
203: #pH = 1.0 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)O	
203: ok 19
203: #pH = 7.4 : [NH3+]C(CCCNC(=[NH2+])N)C(=O)[O-]	
203: ok 20
203: #pH = 11.0 : NC(CCCNC(=[NH2+])N)C(=O)[O-]	
203: ok 21
203: #pH = 13.0 : NC(CCCNC(=N)N)C(=O)[O-]	
203: ok 22
203: # Gly-Gly
203: #pH = 1.0 : [NH3+]CC(=O)NCC(=O)O	
203: ok 23
203: #pH = 7.4 : [NH3+]CC(=O)NCC(=O)[O-]	
203: ok 24
203: #pH = 13.0 : NCC(=O)NCC(=O)[O-]	
203: ok 25
203: 1..25
200/229 Test #203: test_phmodel_1 ...................   Passed    0.67 sec
test 204
        Start 204: test_residue_1

204: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "residue" "1"
204: Environment variables: 
204:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
204:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
204: Test timeout computed to be: 1500
183:     torsion ( -0.062,  -0.722,  -2.668)  ( -0.062,  -0.722,  -2.667)  ( 0.00,  0.00,  0.04)
183:     oop     ( -0.011,  -0.030,  -0.074)  ( -0.010,  -0.023,  -0.055)  ( 0.00,  0.02,  0.14)
183:     vdw     (  4.938,  -9.590,   2.718)  (  4.938,  -9.589,   2.718)  ( 0.00,  0.00,  0.00)
183:     electro (  0.032,   0.028,  -0.096)  (  0.032,   0.028,  -0.096)  ( 0.00,  0.00,  0.00)
183:  7       ( -1.422,   0.562,  -0.406)  ( -1.418,   0.571,  -0.376)  ( 0.28,  0.47,  1.19)
183:     bond    (-11.282,  11.208,   0.541)  (-11.278,  11.212,   0.545)  ( 0.04,  0.03,  0.24)
183:     angle   (  9.286,  -4.053,  -3.402)  (  9.288,  -4.051,  -3.400)  ( 0.02,  0.05,  0.04)
183:     strbnd  (  0.811,  -0.072,  -0.853)  (  0.810,  -0.073,  -0.854)  ( 0.06,  0.01,  0.03)
183:     torsion ( -1.331,  -0.869,   0.696)  ( -1.331,  -0.869,   0.696)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.009,  -0.020,  -0.131)  (  0.007,  -0.017,  -0.108)  ( 0.00,  0.01,  0.31)
183:     vdw     (  0.881,  -5.592,   2.703)  (  0.881,  -5.592,   2.703)  ( 0.01,  0.00,  0.00)
183:     electro (  0.204,  -0.039,   0.041)  (  0.204,  -0.039,   0.041)  ( 0.00,  0.00,  0.00)
183:  8       (  0.736,   0.178,   0.067)  (  0.740,   0.183,   0.072)  ( 0.35,  0.09,  0.04)
183:     bond    ( -1.261,  -2.729, -19.147)  ( -1.258,  -2.725, -19.143)  ( 0.27,  0.13,  0.02)
183:     angle   ( -9.942,   7.503,  26.405)  ( -9.940,   7.505,  26.407)  ( 0.02,  0.03,  0.01)
183:     strbnd  (  4.138,   2.113,   0.872)  (  4.137,   2.112,   0.871)  ( 0.02,  0.04,  0.03)
183:     torsion (  2.267,  -2.809,  -7.166)  (  2.267,  -2.809,  -7.166)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.533,  -3.900,  -0.897)  (  5.533,  -3.899,  -0.897)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (  0.364,   0.232,  -0.008)  (  0.369,   0.237,  -0.002)  ( 0.20,  0.11,  0.00)
183:     bond    ( -6.983,  11.163,   5.799)  ( -6.980,  11.166,   5.803)  ( 0.06,  0.03,  0.07)
183:     angle   (  6.589,   0.564, -10.864)  (  6.592,   0.566, -10.862)  ( 0.04,  0.12,  0.02)
183:     strbnd  ( -4.331,  -9.696,   0.323)  ( -4.332,  -9.697,   0.323)  ( 0.02,  0.01,  0.01)
183:     torsion (  0.192,   1.536,   1.287)  (  0.192,   1.536,   1.287)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.897,  -3.334,   3.446)  (  4.897,  -3.334,   3.447)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 10       (  0.279,   0.320,   0.215)  (  0.284,   0.326,   0.221)  ( 0.13,  0.18,  0.13)
183:     bond    (  3.926,  16.947,  -8.842)  (  3.929,  16.951,  -8.838)  ( 0.09,  0.02,  0.05)
183:     angle   ( -6.642,  -8.727,   8.491)  ( -6.640,  -8.725,   8.493)  ( 0.03,  0.02,  0.02)
183:     strbnd  ( -1.913,  -4.925,   2.830)  ( -1.914,  -4.925,   2.830)  ( 0.05,  0.01,  0.02)
183:     torsion ( -1.013,  -0.173,  -1.195)  ( -1.013,  -0.173,  -1.195)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.922,  -2.802,  -1.070)  (  5.922,  -2.802,  -1.070)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 11       (  0.045,   0.535,   0.496)  (  0.051,   0.539,   0.502)  ( 0.03,  0.24,  0.29)
183:     bond    (-22.008,  -2.471,  -8.891)  (-22.004,  -2.468,  -8.886)  ( 0.02,  0.14,  0.05)
183:     angle   ( 15.128,   5.024,   5.636)  ( 15.130,   5.026,   5.638)  ( 0.01,  0.04,  0.03)
183:     strbnd  (  6.334,   1.549,   3.089)  (  6.333,   1.548,   3.089)  ( 0.01,  0.06,  0.02)
183:     torsion ( -1.616,   1.448,   1.166)  ( -1.616,   1.448,   1.166)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.209,  -5.015,  -0.504)  (  2.209,  -5.015,  -0.504)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 12       (  0.018,  -0.028,  -0.133)  (  0.022,  -0.023,  -0.128)  ( 0.01,  0.01,  0.07)
179:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
179:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
179:     electro (  0.110,   4.158,  -1.948)  (  0.110,   4.158,  -1.948)  ( 0.00,  0.00,  0.00)
179: 35       ( -0.101,  -0.084,  -0.013)  ( -0.097,  -0.081,  -0.013)  ( 0.04,  0.02,  0.00)
179:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
179:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
179:     electro ( 10.207, -11.265,   2.235)  ( 10.207, -11.265,   2.235)  ( 0.00,  0.00,  0.00)
179: 36       (  0.023,  -0.029,  -0.012)  (  0.030,  -0.025,  -0.007)  ( 0.01,  0.01,  0.01)
179:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
179:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
179:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
179:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
179:     electro (  0.179,  -1.556,  -0.020)  (  0.179,  -1.556,  -0.020)  ( 0.00,  0.00,  0.00)
179: 37       (  0.029,   0.043,  -0.047)  (  0.034,   0.047,  -0.041)  ( 0.01,  0.02,  0.03)
179:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
179:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
179:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
179:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
179:     electro (  0.210,  -1.238,  -0.159)  (  0.210,  -1.238,  -0.159)  ( 0.00,  0.00,  0.00)
179: 38       ( -0.013,   0.017,  -0.005)  ( -0.012,   0.019,  -0.003)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
179:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
179:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.625,   0.154,  -0.145)  ( -0.625,   0.154,  -0.145)  ( 0.00,  0.00,  0.00)
179: 39       ( -0.005,  -0.008,   0.012)  ( -0.003,  -0.007,   0.014)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
179:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.342,  -0.130,   0.167)  ( -0.342,  -0.130,   0.167)  ( 0.00,  0.00,  0.00)
204: # Unit tests for OBResidue 
204: ok 1
204: ok 2
204: ok 3
204: ok 4 # ALA
204: ok 5 # ARG
204: ok 6 # ASN
204: ok 7 # ASP
204: ok 8 # CYS
204: ok 9 # GLU
204: ok 10 # GLN
204: ok 11 # GLY
204: ok 12 # HIS
204: ok 13 # ILE
204: ok 14 # LEU
204: ok 15 # LYS
204: ok 16 # MET
204: ok 17 # PHE
204: ok 18 # PRO
204: ok 19 # SER
204: ok 20 # THR
204: ok 21 # TRP
204: ok 22 # TYR
204: ok 23 # VAL
204: ok 24 #   A
204: ok 25 #   C
204: ok 26 #   G
204: ok 27 #   T
204: ok 28 #   U
204: ==============================
204: *** Open Babel Warning  in ParseSmiles
204:   Failed to kekulize aromatic SMILES
204: 
204: ok 29 # found ligand, not residue c1ccccc1
204: ok 30 # found ligand, not residue c1cccn[H]1
204: ok 31 # found ligand, not residue CC(=O)CCN
204: ok 32 # ALA VAL
204: ok 33 # CYS LEU
204: 1..33
201/229 Test #204: test_residue_1 ...................   Passed    0.67 sec
test 205
        Start 205: test_ringtest_1

205: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "ringtest" "1"
205: Environment variables: 
205:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
205:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
205: Test timeout computed to be: 1500
181:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
181:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
181:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
181:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
181:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
181:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
181:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
181:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
181:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
181:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
181:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
181:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
181:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
181:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
181:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
181:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
181:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
181: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
181:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
181:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
181:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
181:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
181:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
181: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
205: # Testing ring perception...
181:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
181:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
181:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
181:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
181:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
181:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
181:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
181:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
181:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
181:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
181:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
181:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
181:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
181:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
181:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
181: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
181:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
181:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
205: ok 1 # correct ring bond data
205: ok 2 # correct ring bond data
205: ok 3 # correct ring bond data
205: ok 4 # correct ring bond data
205: ok 5 # correct ring bond data
205: ok 6 # correct ring bond data
205: ok 7 # correct ring bond data
205: ok 8 # correct ring bond data
205: ok 9 # correct ring bond data
205: ok 10 # correct ring bond data
205: ok 11 # correct ring bond data
205: ok 12 # correct ring bond data
205: ok 13 # correct ring bond data
205: ok 14 # SSSR size matches reference
205: ok 15 # correct SSSR count
205: ok 16 # ring membership passed
205: ok 17 # correct SSSR count
205: ok 18 # ring membership passed
205: ok 19 # correct SSSR count
205: ok 20 # ring membership passed
205: ok 21 # correct SSSR count
205: ok 22 # ring membership passed
205: ok 23 # correct SSSR count
205: ok 24 # ring membership passed
205: ok 25 # correct SSSR count
205: ok 26 # ring membership passed
205: ok 27 # correct SSSR count
205: ok 28 # ring membership passed
205: ok 29 # correct SSSR count
205: ok 30 # ring membership passed
205: ok 31 # correct SSSR count
205: ok 32 # ring membership passed
205: ok 33 # correct SSSR count
205: ok 34 # ring membership passed
205: ok 35 # correct SSSR count
205: ok 36 # ring membership passed
205: ok 37 # correct SSSR count
205: ok 38 # ring membership passed
205: ok 39 # correct ring bond data
205: ok 40 # correct ring bond data
205: ok 41 # correct ring bond data
205: ok 42 # correct ring bond data
205: ok 43 # correct ring bond data
205: ok 44 # correct ring bond data
205: ok 45 # correct ring bond data
205: ok 46 # correct ring bond data
205: ok 47 # correct ring bond data
205: ok 48 # correct ring bond data
205: ok 49 # correct ring bond data
205: ok 50 # correct ring bond data
205: ok 51 # correct ring bond data
205: ok 52 # correct ring bond data
205: ok 53 # correct ring bond data
205: ok 54 # SSSR size matches reference
205: ok 55 # correct SSSR count
205: ok 56 # ring membership passed
205: ok 57 # correct SSSR count
205: ok 58 # ring membership passed
205: ok 59 # correct SSSR count
205: ok 60 # ring membership passed
205: ok 61 # correct SSSR count
205: ok 62 # ring membership passed
205: ok 63 # correct SSSR count
205: ok 64 # ring membership passed
205: ok 65 # correct SSSR count
205: ok 66 # ring membership passed
205: ok 67 # correct SSSR count
205: ok 68 # ring membership passed
205: ok 69 # correct SSSR count
205: ok 70 # ring membership passed
205: ok 71 # correct SSSR count
205: ok 72 # ring membership passed
205: ok 73 # correct SSSR count
205: ok 74 # ring membership passed
205: ok 75 # correct SSSR count
205: ok 76 # ring membership passed
205: ok 77 # correct SSSR count
205: ok 78 # ring membership passed
205: ok 79 # correct SSSR count
205: ok 80 # ring membership passed
205: ok 81 # correct SSSR count
205: ok 82 # ring membership passed
205: ok 83 # correct ring bond data
205: ok 84 # correct ring bond data
205: ok 85 # correct ring bond data
205: ok 86 # correct ring bond data
205: ok 87 # correct ring bond data
205: ok 88 # correct ring bond data
205: ok 89 # correct ring bond data
205: ok 90 # correct ring bond data
205: ok 91 # correct ring bond data
205: ok 92 # correct ring bond data
205: ok 93 # SSSR size matches reference
205: ok 94 # correct SSSR count
205: ok 95 # ring membership passed
205: ok 96 # correct SSSR count
205: ok 97 # ring membership passed
205: ok 98 # correct SSSR count
205: ok 99 # ring membership passed
205: ok 100 # correct SSSR count
205: ok 101 # ring membership passed
205: ok 102 # correct SSSR count
205: ok 103 # ring membership passed
205: ok 104 # correct SSSR count
205: ok 105 # ring membership passed
205: ok 106 # correct SSSR count
205: ok 107 # ring membership passed
205: ok 108 # correct SSSR count
205: ok 109 # ring membership passed
205: ok 110 # correct SSSR count
205: ok 111 # ring membership passed
205: ok 112 # correct SSSR count
205: ok 113 # ring membership passed
205: ok 114 # correct ring bond data
205: ok 115 # correct ring bond data
205: ok 116 # correct ring bond data
205: ok 117 # correct ring bond data
205: ok 118 # correct ring bond data
205: ok 119 # correct ring bond data
205: ok 120 # correct ring bond data
205: ok 121 # correct ring bond data
205: ok 122 # correct ring bond data
205: ok 123 # correct ring bond data
205: ok 124 # correct ring bond data
205: ok 125 # correct ring bond data
205: ok 126 # correct ring bond data
205: ok 127 # correct ring bond data
205: ok 128 # correct ring bond data
205: ok 129 # correct ring bond data
205: ok 130 # correct ring bond data
205: ok 131 # correct ring bond data
205: ok 132 # correct ring bond data
205: ok 133 # correct ring bond data
205: ok 134 # correct ring bond data
205: ok 135 # correct ring bond data
205: ok 136 # correct ring bond data
205: ok 137 # correct ring bond data
205: ok 138 # SSSR size matches reference
205: ok 139 # correct SSSR count
205: ok 140 # ring membership passed
205: ok 141 # correct SSSR count
205: ok 142 # ring membership passed
205: ok 143 # correct SSSR count
205: ok 144 # ring membership passed
205: ok 145 # correct SSSR count
205: ok 146 # ring membership passed
205: ok 147 # correct SSSR count
205: ok 148 # ring membership passed
205: ok 149 # correct SSSR count
205: ok 150 # ring membership passed
205: ok 151 # correct SSSR count
205: ok 152 # ring membership passed
205: ok 153 # correct SSSR count
205: ok 154 # ring membership passed
205: ok 155 # correct SSSR count
205: ok 156 # ring membership passed
205: ok 157 # correct SSSR count
205: ok 158 # ring membership passed
205: ok 159 # correct SSSR count
205: ok 160 # ring membership passed
205: ok 161 # correct SSSR count
205: ok 162 # ring membership passed
205: ok 163 # correct SSSR count
205: ok 164 # ring membership passed
205: ok 165 # correct SSSR count
205: ok 166 # ring membership passed
205: ok 167 # correct SSSR count
205: ok 168 # ring membership passed
205: ok 169 # correct SSSR count
205: ok 170 # ring membership passed
205: ok 171 # correct SSSR count
205: ok 172 # ring membership passed
205: ok 173 # correct SSSR count
205: ok 174 # ring membership passed
205: ok 175 # correct SSSR count
205: ok 176 # ring membership passed
205: ok 177 # correct SSSR count
205: ok 178 # ring membership passed
205: ok 179 # correct SSSR count
205: ok 180 # ring membership passed
205: ok 181 # correct SSSR count
205: ok 182 # ring membership passed
205: ok 183 # correct ring bond data
205: ok 184 # correct ring bond data
205: ok 185 # correct ring bond data
205: ok 186 # correct ring bond data
205: ok 187 # correct ring bond data
205: ok 188 # correct ring bond data
205: ok 189 # correct ring bond data
205: ok 190 # correct ring bond data
205: ok 191 # correct ring bond data
205: ok 192 # correct ring bond data
205: ok 193 # correct ring bond data
205: ok 194 # correct ring bond data
205: ok 195 # correct ring bond data
205: ok 196 # correct ring bond data
205: ok 197 # correct ring bond data
205: ok 198 # correct ring bond data
205: ok 199 # correct ring bond data
205: ok 200 # correct ring bond data
205: ok 201 # correct ring bond data
205: ok 202 # correct ring bond data
205: ok 203 # correct ring bond data
205: ok 204 # correct ring bond data
205: ok 205 # correct ring bond data
205: ok 206 # correct ring bond data
205: ok 207 # SSSR size matches reference
205: ok 208 # correct SSSR count
205: ok 209 # ring membership passed
205: ok 210 # correct SSSR count
205: ok 211 # ring membership passed
205: ok 212 # correct SSSR count
205: ok 213 # ring membership passed
205: ok 214 # correct SSSR count
205: ok 215 # ring membership passed
205: ok 216 # correct SSSR count
205: ok 217 # ring membership passed
205: ok 218 # correct SSSR count
205: ok 219 # ring membership passed
205: ok 220 # correct SSSR count
205: ok 221 # ring membership passed
205: ok 222 # correct SSSR count
205: ok 223 # ring membership passed
205: ok 224 # correct SSSR count
205: ok 225 # ring membership passed
205: ok 226 # correct SSSR count
205: ok 227 # ring membership passed
205: ok 228 # correct SSSR count
205: ok 229 # ring membership passed
205: ok 230 # correct SSSR count
205: ok 231 # ring membership passed
205: ok 232 # correct SSSR count
205: ok 233 # ring membership passed
205: ok 234 # correct SSSR count
205: ok 235 # ring membership passed
205: ok 236 # correct SSSR count
205: ok 237 # ring membership passed
205: ok 238 # correct SSSR count
205: ok 239 # ring membership passed
205: ok 240 # correct SSSR count
205: ok 241 # ring membership passed
205: ok 242 # correct SSSR count
205: ok 243 # ring membership passed
205: ok 244 # correct SSSR count
205: ok 245 # ring membership passed
205: ok 246 # correct SSSR count
205: ok 247 # ring membership passed
205: ok 248 # correct SSSR count
205: ok 249 # ring membership passed
205: ok 250 # correct SSSR count
205: ok 251 # ring membership passed
205: ok 252 # correct ring bond data
205: ok 253 # correct ring bond data
205: ok 254 # correct ring bond data
205: ok 255 # correct ring bond data
205: ok 256 # correct ring bond data
205: ok 257 # correct ring bond data
205: ok 258 # correct ring bond data
205: ok 259 # correct ring bond data
205: ok 260 # correct ring bond data
205: ok 261 # correct ring bond data
205: ok 262 # correct ring bond data
205: ok 263 # correct ring bond data
205: ok 264 # correct ring bond data
205: ok 265 # correct ring bond data
205: ok 266 # correct ring bond data
205: ok 267 # correct ring bond data
205: ok 268 # correct ring bond data
205: ok 269 # correct ring bond data
205: ok 270 # correct ring bond data
205: ok 271 # correct ring bond data
205: ok 272 # correct ring bond data
205: ok 273 # correct ring bond data
205: ok 274 # correct ring bond data
205: ok 275 # correct ring bond data
205: ok 276 # correct ring bond data
205: ok 277 # SSSR size matches reference
205: ok 278 # correct SSSR count
205: ok 279 # ring membership passed
205: ok 280 # correct SSSR count
205: ok 281 # ring membership passed
205: ok 282 # correct SSSR count
205: ok 283 # ring membership passed
205: ok 284 # correct SSSR count
205: ok 285 # ring membership passed
205: ok 286 # correct SSSR count
205: ok 287 # ring membership passed
205: ok 288 # correct SSSR count
205: ok 289 # ring membership passed
205: ok 290 # correct SSSR count
205: ok 291 # ring membership passed
205: ok 292 # correct SSSR count
205: ok 293 # ring membership passed
205: ok 294 # correct SSSR count
205: ok 295 # ring membership passed
205: ok 296 # correct SSSR count
205: ok 297 # ring membership passed
205: ok 298 # correct SSSR count
205: ok 299 # ring membership passed
205: ok 300 # correct SSSR count
205: ok 301 # ring membership passed
205: ok 302 # correct SSSR count
205: ok 303 # ring membership passed
205: ok 304 # correct SSSR count
205: ok 305 # ring membership passed
205: ok 306 # correct SSSR count
205: ok 307 # ring membership passed
205: ok 308 # correct SSSR count
205: ok 309 # ring membership passed
205: ok 310 # correct SSSR count
205: ok 311 # ring membership passed
205: ok 312 # correct SSSR count
205: ok 313 # ring membership passed
205: ok 314 # correct SSSR count
205: ok 315 # ring membership passed
205: ok 316 # correct SSSR count
205: ok 317 # ring membership passed
205: ok 318 # correct SSSR count
205: ok 319 # ring membership passed
205: ok 320 # correct SSSR count
205: ok 321 # ring membership passed
205: ok 322 # correct SSSR count
205: ok 323 # ring membership passed
205: ok 324 # correct ring bond data
205: ok 325 # correct ring bond data
205: ok 326 # correct ring bond data
205: ok 327 # correct ring bond data
205: ok 328 # correct ring bond data
205: ok 329 # correct ring bond data
205: ok 330 # correct ring bond data
205: ok 331 # SSSR size matches reference
205: ok 332 # correct SSSR count
205: ok 333 # ring membership passed
205: ok 334 # correct SSSR count
205: ok 335 # ring membership passed
205: ok 336 # correct SSSR count
205: ok 337 # ring membership passed
205: ok 338 # correct SSSR count
205: ok 339 # ring membership passed
205: ok 340 # correct SSSR count
205: ok 341 # ring membership passed
205: ok 342 # correct SSSR count
205: ok 343 # ring membership passed
205: ok 344 # correct SSSR count
205: ok 345 # ring membership passed
205: ok 346 # correct SSSR count
205: ok 347 # ring membership passed
205: ok 348 # correct ring bond data
205: ok 349 # correct ring bond data
205: ok 350 # correct ring bond data
205: ok 351 # correct ring bond data
205: ok 352 # correct ring bond data
205: ok 353 # correct ring bond data
205: ok 354 # correct ring bond data
205: ok 355 # correct ring bond data
205: ok 356 # correct ring bond data
205: ok 357 # correct ring bond data
205: ok 358 # correct ring bond data
205: ok 359 # correct ring bond data
205: ok 360 # correct ring bond data
205: ok 361 # correct ring bond data
205: ok 362 # correct ring bond data
205: ok 363 # correct ring bond data
205: ok 364 # correct ring bond data
205: ok 365 # correct ring bond data
205: ok 366 # correct ring bond data
205: ok 367 # correct ring bond data
205: ok 368 # correct ring bond data
205: ok 369 # correct ring bond data
205: ok 370 # correct ring bond data
205: ok 371 # SSSR size matches reference
205: ok 372 # correct SSSR count
205: ok 373 # ring membership passed
205: ok 374 # correct SSSR count
205: ok 375 # ring membership passed
205: ok 376 # correct SSSR count
205: ok 377 # ring membership passed
205: ok 378 # correct SSSR count
205: ok 379 # ring membership passed
205: ok 380 # correct SSSR count
205: ok 381 # ring membership passed
205: ok 382 # correct SSSR count
205: ok 383 # ring membership passed
205: ok 384 # correct SSSR count
205: ok 385 # ring membership passed
205: ok 386 # correct SSSR count
205: ok 387 # ring membership passed
205: ok 388 # correct SSSR count
205: ok 389 # ring membership passed
205: ok 390 # correct SSSR count
205: ok 391 # ring membership passed
205: ok 392 # correct SSSR count
205: ok 393 # ring membership passed
205: ok 394 # correct SSSR count
205: ok 395 # ring membership passed
205: ok 396 # correct SSSR count
205: ok 397 # ring membership passed
205: ok 398 # correct SSSR count
205: ok 399 # ring membership passed
205: ok 400 # correct SSSR count
205: ok 401 # ring membership passed
205: ok 402 # correct SSSR count
205: ok 403 # ring membership passed
205: ok 404 # correct SSSR count
205: ok 405 # ring membership passed
205: ok 406 # correct SSSR count
205: ok 407 # ring membership passed
205: ok 408 # correct SSSR count
205: ok 409 # ring membership passed
205: ok 410 # correct SSSR count
205: ok 411 # ring membership passed
205: ok 412 # correct SSSR count
205: ok 413 # ring membership passed
205: ok 414 # correct ring bond data
205: ok 415 # correct ring bond data
205: ok 416 # correct ring bond data
205: ok 417 # correct ring bond data
205: ok 418 # correct ring bond data
205: ok 419 # correct ring bond data
205: ok 420 # correct ring bond data
205: ok 421 # correct ring bond data
205: ok 422 # correct ring bond data
205: ok 423 # correct ring bond data
205: ok 424 # SSSR size matches reference
205: ok 425 # correct SSSR count
205: ok 426 # ring membership passed
205: ok 427 # correct SSSR count
205: ok 428 # ring membership passed
205: ok 429 # correct SSSR count
205: ok 430 # ring membership passed
205: ok 431 # correct SSSR count
205: ok 432 # ring membership passed
205: ok 433 # correct SSSR count
205: ok 434 # ring membership passed
205: ok 435 # correct SSSR count
205: ok 436 # ring membership passed
205: ok 437 # correct SSSR count
205: ok 438 # ring membership passed
205: ok 439 # correct SSSR count
205: ok 440 # ring membership passed
205: ok 441 # correct SSSR count
205: ok 442 # ring membership passed
205: ok 443 # correct SSSR count
205: ok 444 # ring membership passed
205: ok 445 # correct ring bond data
205: ok 446 # correct ring bond data
205: ok 447 # correct ring bond data
205: ok 448 # correct ring bond data
205: ok 449 # correct ring bond data
205: ok 450 # correct ring bond data
205: ok 451 # correct ring bond data
205: ok 452 # correct ring bond data
205: ok 453 # correct ring bond data
205: ok 454 # correct ring bond data
205: ok 455 # correct ring bond data
205: ok 456 # correct ring bond data
205: ok 457 # correct ring bond data
205: ok 458 # correct ring bond data
205: ok 459 # SSSR size matches reference
205: ok 460 # correct SSSR count
205: ok 461 # ring membership passed
205: ok 462 # correct SSSR count
205: ok 463 # ring membership passed
205: ok 464 # correct SSSR count
205: ok 465 # ring membership passed
205: ok 466 # correct SSSR count
205: ok 467 # ring membership passed
205: ok 468 # correct SSSR count
205: ok 469 # ring membership passed
205: ok 470 # correct SSSR count
205: ok 471 # ring membership passed
205: ok 472 # correct SSSR count
205: ok 473 # ring membership passed
205: ok 474 # correct SSSR count
205: ok 475 # ring membership passed
205: ok 476 # correct SSSR count
205: ok 477 # ring membership passed
205: ok 478 # correct SSSR count
205: ok 479 # ring membership passed
205: ok 480 # correct SSSR count
205: ok 481 # ring membership passed
205: ok 482 # correct SSSR count
205: ok 483 # ring membership passed
205: ok 484 # correct SSSR count
205: ok 485 # ring membership passed
205: ok 486 # correct ring bond data
205: ok 487 # correct ring bond data
205: ok 488 # correct ring bond data
205: ok 489 # correct ring bond data
205: ok 490 # correct ring bond data
205: ok 491 # correct ring bond data
205: ok 492 # correct ring bond data
205: ok 493 # correct ring bond data
205: ok 494 # correct ring bond data
205: ok 495 # correct ring bond data
205: ok 496 # correct ring bond data
205: ok 497 # correct ring bond data
205: ok 498 # correct ring bond data
205: ok 499 # correct ring bond data
205: ok 500 # correct ring bond data
205: ok 501 # correct ring bond data
205: ok 502 # SSSR size matches reference
205: ok 503 # correct SSSR count
205: ok 504 # ring membership passed
205: ok 505 # correct SSSR count
205: ok 506 # ring membership passed
205: ok 507 # correct SSSR count
205: ok 508 # ring membership passed
205: ok 509 # correct SSSR count
205: ok 510 # ring membership passed
205: ok 511 # correct SSSR count
205: ok 512 # ring membership passed
205: ok 513 # correct SSSR count
205: ok 514 # ring membership passed
205: ok 515 # correct SSSR count
205: ok 516 # ring membership passed
205: ok 517 # correct SSSR count
205: ok 518 # ring membership passed
205: ok 519 # correct SSSR count
205: ok 520 # ring membership passed
205: ok 521 # correct SSSR count
205: ok 522 # ring membership passed
205: ok 523 # correct SSSR count
205: ok 524 # ring membership passed
205: ok 525 # correct SSSR count
205: ok 526 # ring membership passed
205: ok 527 # correct SSSR count
205: ok 528 # ring membership passed
205: ok 529 # correct SSSR count
205: ok 530 # ring membership passed
205: ok 531 # correct SSSR count
205: ok 532 # ring membership passed
205: ok 533 # correct ring bond data
205: ok 534 # correct ring bond data
205: ok 535 # correct ring bond data
205: ok 536 # correct ring bond data
205: ok 537 # correct ring bond data
205: ok 538 # correct ring bond data
205: ok 539 # correct ring bond data
205: ok 540 # correct ring bond data
205: ok 541 # correct ring bond data
205: ok 542 # correct ring bond data
205: ok 543 # correct ring bond data
205: ok 544 # correct ring bond data
205: ok 545 # correct ring bond data
205: ok 546 # correct ring bond data
205: ok 547 # correct ring bond data
205: ok 548 # SSSR size matches reference
205: ok 549 # correct SSSR count
205: ok 550 # ring membership passed
205: ok 551 # correct SSSR count
205: ok 552 # ring membership passed
205: ok 553 # correct SSSR count
205: ok 554 # ring membership passed
205: ok 555 # correct SSSR count
205: ok 556 # ring membership passed
205: ok 557 # correct SSSR count
205: ok 558 # ring membership passed
205: ok 559 # correct SSSR count
205: ok 560 # ring membership passed
205: ok 561 # correct SSSR count
205: ok 562 # ring membership passed
205: ok 563 # correct SSSR count
205: ok 564 # ring membership passed
205: ok 565 # correct SSSR count
205: ok 566 # ring membership passed
205: ok 567 # correct SSSR count
205: ok 568 # ring membership passed
205: ok 569 # correct SSSR count
205: ok 570 # ring membership passed
205: ok 571 # correct SSSR count
205: ok 572 # ring membership passed
205: ok 573 # correct SSSR count
205: ok 574 # ring membership passed
205: ok 575 # correct SSSR count
205: ok 576 # ring membership passed
205: ok 577 # correct ring bond data
205: ok 578 # correct ring bond data
205: ok 579 # correct ring bond data
205: ok 580 # correct ring bond data
205: ok 581 # correct ring bond data
205: ok 582 # correct ring bond data
205: ok 583 # correct ring bond data
205: ok 584 # correct ring bond data
205: ok 585 # correct ring bond data
205: ok 586 # correct ring bond data
205: ok 587 # correct ring bond data
205: ok 588 # correct ring bond data
205: ok 589 # correct ring bond data
205: ok 590 # correct ring bond data
205: ok 591 # correct ring bond data
205: ok 592 # correct ring bond data
205: ok 593 # SSSR size matches reference
205: ok 594 # correct SSSR count
205: ok 595 # ring membership passed
205: ok 596 # correct SSSR count
205: ok 597 # ring membership passed
205: ok 598 # correct SSSR count
205: ok 599 # ring membership passed
205: ok 600 # correct SSSR count
205: ok 601 # ring membership passed
205: ok 602 # correct SSSR count
205: ok 603 # ring membership passed
205: ok 604 # correct SSSR count
205: ok 605 # ring membership passed
205: ok 606 # correct SSSR count
205: ok 607 # ring membership passed
205: ok 608 # correct SSSR count
205: ok 609 # ring membership passed
205: ok 610 # correct SSSR count
205: ok 611 # ring membership passed
205: ok 612 # correct SSSR count
205: ok 613 # ring membership passed
205: ok 614 # correct SSSR count
205: ok 615 # ring membership passed
205: ok 616 # correct SSSR count
205: ok 617 # ring membership passed
205: ok 618 # correct SSSR count
205: ok 619 # ring membership passed
205: ok 620 # correct SSSR count
205: ok 621 # ring membership passed
205: ok 622 # correct SSSR count
205: ok 623 # ring membership passed
205: ok 624 # correct ring bond data
205: ok 625 # correct ring bond data
205: ok 626 # correct ring bond data
205: ok 627 # correct ring bond data
205: ok 628 # correct ring bond data
205: ok 629 # correct ring bond data
205: ok 630 # correct ring bond data
205: ok 631 # correct ring bond data
205: ok 632 # correct ring bond data
205: ok 633 # correct ring bond data
205: ok 634 # correct ring bond data
205: ok 635 # correct ring bond data
205: ok 636 # correct ring bond data
205: ok 637 # correct ring bond data
205: ok 638 # correct ring bond data
205: ok 639 # correct ring bond data
205: ok 640 # correct ring bond data
205: ok 641 # SSSR size matches reference
205: ok 642 # correct SSSR count
205: ok 643 # ring membership passed
205: ok 644 # correct SSSR count
205: ok 645 # ring membership passed
205: ok 646 # correct SSSR count
205: ok 647 # ring membership passed
205: ok 648 # correct SSSR count
205: ok 649 # ring membership passed
205: ok 650 # correct SSSR count
205: ok 651 # ring membership passed
205: ok 652 # correct SSSR count
205: ok 653 # ring membership passed
205: ok 654 # correct SSSR count
205: ok 655 # ring membership passed
205: ok 656 # correct SSSR count
205: ok 657 # ring membership passed
205: ok 658 # correct SSSR count
205: ok 659 # ring membership passed
205: ok 660 # correct SSSR count
205: ok 661 # ring membership passed
205: ok 662 # correct SSSR count
205: ok 663 # ring membership passed
205: ok 664 # correct SSSR count
205: ok 665 # ring membership passed
205: ok 666 # correct SSSR count
205: ok 667 # ring membership passed
205: ok 668 # correct SSSR count
205: ok 669 # ring membership passed
205: ok 670 # correct SSSR count
205: ok 671 # ring membership passed
205: ok 672 # correct SSSR count
205: ok 673 # ring membership passed
205: ok 674 # correct ring bond data
205: ok 675 # correct ring bond data
205: ok 676 # correct ring bond data
205: ok 677 # correct ring bond data
205: ok 678 # correct ring bond data
205: ok 679 # correct ring bond data
205: ok 680 # correct ring bond data
205: ok 681 # correct ring bond data
205: ok 682 # correct ring bond data
205: ok 683 # correct ring bond data
205: ok 684 # correct ring bond data
205: ok 685 # correct ring bond data
205: ok 686 # correct ring bond data
205: ok 687 # correct ring bond data
205: ok 688 # correct ring bond data
205: ok 689 # correct ring bond data
205: ok 690 # correct ring bond data
205: ok 691 # correct ring bond data
205: ok 692 # correct ring bond data
205: ok 693 # SSSR size matches reference
205: ok 694 # correct SSSR count
205: ok 695 # ring membership passed
205: ok 696 # correct SSSR count
205: ok 697 # ring membership passed
205: ok 698 # correct SSSR count
205: ok 699 # ring membership passed
205: ok 700 # correct SSSR count
205: ok 701 # ring membership passed
205: ok 702 # correct SSSR count
205: ok 703 # ring membership passed
205: ok 704 # correct SSSR count
205: ok 705 # ring membership passed
205: ok 706 # correct SSSR count
205: ok 707 # ring membership passed
205: ok 708 # correct SSSR count
205: ok 709 # ring membership passed
205: ok 710 # correct SSSR count
205: ok 711 # ring membership passed
205: ok 712 # correct SSSR count
205: ok 713 # ring membership passed
205: ok 714 # correct SSSR count
205: ok 715 # ring membership passed
205: ok 716 # correct SSSR count
205: ok 717 # ring membership passed
205: ok 718 # correct SSSR count
205: ok 719 # ring membership passed
205: ok 720 # correct SSSR count
205: ok 721 # ring membership passed
205: ok 722 # correct SSSR count
205: ok 723 # ring membership passed
205: ok 724 # correct SSSR count
205: ok 725 # ring membership passed
205: ok 726 # correct SSSR count
205: ok 727 # ring membership passed
205: ok 728 # correct SSSR count
205: ok 729 # ring membership passed
205: ok 730 # correct ring bond data
205: ok 731 # correct ring bond data
205: ok 732 # correct ring bond data
205: ok 733 # correct ring bond data
205: ok 734 # correct ring bond data
205: ok 735 # correct ring bond data
205: ok 736 # correct ring bond data
205: ok 737 # correct ring bond data
205: ok 738 # correct ring bond data
205: ok 739 # correct ring bond data
205: ok 740 # correct ring bond data
205: ok 741 # correct ring bond data
205: ok 742 # correct ring bond data
205: ok 743 # correct ring bond data
205: ok 744 # correct ring bond data
205: ok 745 # correct ring bond data
205: ok 746 # SSSR size matches reference
205: ok 747 # correct SSSR count
205: ok 748 # ring membership passed
205: ok 749 # correct SSSR count
205: ok 750 # ring membership passed
205: ok 751 # correct SSSR count
205: ok 752 # ring membership passed
205: ok 753 # correct SSSR count
205: ok 754 # ring membership passed
205: ok 755 # correct SSSR count
205: ok 756 # ring membership passed
205: ok 757 # correct SSSR count
205: ok 758 # ring membership passed
205: ok 759 # correct SSSR count
205: ok 760 # ring membership passed
205: ok 761 # correct SSSR count
205: ok 762 # ring membership passed
205: ok 763 # correct SSSR count
205: ok 764 # ring membership passed
205: ok 765 # correct SSSR count
205: ok 766 # ring membership passed
205: ok 767 # correct SSSR count
205: ok 768 # ring membership passed
205: ok 769 # correct SSSR count
205: ok 770 # ring membership passed
205: ok 771 # correct SSSR count
205: ok 772 # ring membership passed
205: ok 773 # correct SSSR count
205: ok 774 # ring membership passed
205: ok 775 # correct SSSR count
205: ok 776 # ring membership passed
205: ok 777 # correct ring bond data
205: ok 778 # correct ring bond data
205: ok 779 # correct ring bond data
205: ok 780 # correct ring bond data
205: ok 781 # correct ring bond data
205: ok 782 # correct ring bond data
205: ok 783 # correct ring bond data
205: ok 784 # correct ring bond data
205: ok 785 # correct ring bond data
205: ok 786 # correct ring bond data
205: ok 787 # correct ring bond data
205: ok 788 # correct ring bond data
205: ok 789 # correct ring bond data
205: ok 790 # correct ring bond data
205: ok 791 # correct ring bond data
205: ok 792 # correct ring bond data
205: ok 793 # correct ring bond data
205: ok 794 # SSSR size matches reference
205: ok 795 # correct SSSR count
205: ok 796 # ring membership passed
205: ok 797 # correct SSSR count
205: ok 798 # ring membership passed
205: ok 799 # correct SSSR count
205: ok 800 # ring membership passed
205: ok 801 # correct SSSR count
205: ok 802 # ring membership passed
205: ok 803 # correct SSSR count
205: ok 804 # ring membership passed
205: ok 805 # correct SSSR count
205: ok 806 # ring membership passed
205: ok 807 # correct SSSR count
205: ok 808 # ring membership passed
205: ok 809 # correct SSSR count
205: ok 810 # ring membership passed
205: ok 811 # correct SSSR count
205: ok 812 # ring membership passed
205: ok 813 # correct SSSR count
205: ok 814 # ring membership passed
205: ok 815 # correct SSSR count
205: ok 816 # ring membership passed
205: ok 817 # correct SSSR count
205: ok 818 # ring membership passed
205: ok 819 # correct SSSR count
205: ok 820 # ring membership passed
205: ok 821 # correct SSSR count
205: ok 822 # ring membership passed
205: ok 823 # correct SSSR count
205: ok 824 # ring membership passed
205: ok 825 # correct SSSR count
205: ok 826 # ring membership passed
205: ok 827 # correct ring bond data
205: ok 828 # correct ring bond data
205: ok 829 # correct ring bond data
205: ok 830 # correct ring bond data
205: ok 831 # correct ring bond data
205: ok 832 # correct ring bond data
205: ok 833 # correct ring bond data
205: ok 834 # correct ring bond data
205: ok 835 # correct ring bond data
205: ok 836 # correct ring bond data
205: ok 837 # correct ring bond data
205: ok 838 # correct ring bond data
205: ok 839 # correct ring bond data
205: ok 840 # correct ring bond data
205: ok 841 # correct ring bond data
205: ok 842 # correct ring bond data
205: ok 843 # correct ring bond data
205: ok 844 # correct ring bond data
205: ok 845 # correct ring bond data
205: ok 846 # correct ring bond data
205: ok 847 # correct ring bond data
205: ok 848 # correct ring bond data
205: ok 849 # SSSR size matches reference
205: ok 850 # correct SSSR count
205: ok 851 # ring membership passed
205: ok 852 # correct SSSR count
205: ok 853 # ring membership passed
205: ok 854 # correct SSSR count
205: ok 855 # ring membership passed
205: ok 856 # correct SSSR count
205: ok 857 # ring membership passed
205: ok 858 # correct SSSR count
205: ok 859 # ring membership passed
205: ok 860 # correct SSSR count
205: ok 861 # ring membership passed
205: ok 862 # correct SSSR count
205: ok 863 # ring membership passed
205: ok 864 # correct SSSR count
205: ok 865 # ring membership passed
205: ok 866 # correct SSSR count
205: ok 867 # ring membership passed
205: ok 868 # correct SSSR count
205: ok 869 # ring membership passed
205: ok 870 # correct SSSR count
205: ok 871 # ring membership passed
205: ok 872 # correct SSSR count
205: ok 873 # ring membership passed
205: ok 874 # correct SSSR count
205: ok 875 # ring membership passed
205: ok 876 # correct SSSR count
205: ok 877 # ring membership passed
205: ok 878 # correct SSSR count
205: ok 879 # ring membership passed
205: ok 880 # correct SSSR count
205: ok 881 # ring membership passed
205: ok 882 # correct SSSR count
205: ok 883 # ring membership passed
205: ok 884 # correct SSSR count
205: ok 885 # ring membership passed
205: ok 886 # correct SSSR count
205: ok 887 # ring membership passed
205: ok 888 # correct SSSR count
205: ok 889 # ring membership passed
205: ok 890 # correct ring bond data
205: ok 891 # correct ring bond data
205: ok 892 # correct ring bond data
205: ok 893 # correct ring bond data
205: ok 894 # correct ring bond data
205: ok 895 # correct ring bond data
205: ok 896 # correct ring bond data
205: ok 897 # correct ring bond data
205: ok 898 # correct ring bond data
205: ok 899 # correct ring bond data
205: ok 900 # correct ring bond data
205: ok 901 # correct ring bond data
205: ok 902 # correct ring bond data
205: ok 903 # correct ring bond data
205: ok 904 # correct ring bond data
205: ok 905 # correct ring bond data
205: ok 906 # correct ring bond data
205: ok 907 # correct ring bond data
205: ok 908 # correct ring bond data
205: ok 909 # correct ring bond data
205: ok 910 # correct ring bond data
205: ok 911 # correct ring bond data
205: ok 912 # correct ring bond data
205: ok 913 # SSSR size matches reference
205: ok 914 # correct SSSR count
205: ok 915 # ring membership passed
205: ok 916 # correct SSSR count
205: ok 917 # ring membership passed
205: ok 918 # correct SSSR count
205: ok 919 # ring membership passed
205: ok 920 # correct SSSR count
205: ok 921 # ring membership passed
205: ok 922 # correct SSSR count
205: ok 923 # ring membership passed
205: ok 924 # correct SSSR count
205: ok 925 # ring membership passed
205: ok 926 # correct SSSR count
205: ok 927 # ring membership passed
205: ok 928 # correct SSSR count
205: ok 929 # ring membership passed
205: ok 930 # correct SSSR count
205: ok 931 # ring membership passed
205: ok 932 # correct SSSR count
205: ok 933 # ring membership passed
205: ok 934 # correct SSSR count
205: ok 935 # ring membership passed
205: ok 936 # correct SSSR count
205: ok 937 # ring membership passed
205: ok 938 # correct SSSR count
205: ok 939 # ring membership passed
205: ok 940 # correct SSSR count
205: ok 941 # ring membership passed
205: ok 942 # correct SSSR count
205: ok 943 # ring membership passed
205: ok 944 # correct SSSR count
205: ok 945 # ring membership passed
205: ok 946 # correct SSSR count
205: ok 947 # ring membership passed
205: ok 948 # correct SSSR count
205: ok 949 # ring membership passed
205: ok 950 # correct SSSR count
205: ok 951 # ring membership passed
205: ok 952 # correct SSSR count
205: ok 953 # ring membership passed
205: ok 954 # correct SSSR count
205: ok 955 # ring membership passed
205: ok 956 # correct ring bond data
205: ok 957 # correct ring bond data
205: ok 958 # correct ring bond data
205: ok 959 # correct ring bond data
205: ok 960 # correct ring bond data
205: ok 961 # correct ring bond data
205: ok 962 # correct ring bond data
205: ok 963 # correct ring bond data
205: ok 964 # correct ring bond data
205: ok 965 # correct ring bond data
205: ok 966 # correct ring bond data
205: ok 967 # correct ring bond data
205: ok 968 # correct ring bond data
205: ok 969 # correct ring bond data
205: ok 970 # correct ring bond data
205: ok 971 # correct ring bond data
205: ok 972 # correct ring bond data
205: ok 973 # correct ring bond data
205: ok 974 # correct ring bond data
205: ok 975 # correct ring bond data
205: ok 976 # correct ring bond data
205: ok 977 # correct ring bond data
205: ok 978 # correct ring bond data
205: ok 979 # SSSR size matches reference
205: ok 980 # correct SSSR count
205: ok 981 # ring membership passed
205: ok 982 # correct SSSR count
205: ok 983 # ring membership passed
205: ok 984 # correct SSSR count
205: ok 985 # ring membership passed
205: ok 986 # correct SSSR count
205: ok 987 # ring membership passed
205: ok 988 # correct SSSR count
205: ok 989 # ring membership passed
205: ok 990 # correct SSSR count
205: ok 991 # ring membership passed
205: ok 992 # correct SSSR count
205: ok 993 # ring membership passed
205: ok 994 # correct SSSR count
205: ok 995 # ring membership passed
205: ok 996 # correct SSSR count
205: ok 997 # ring membership passed
205: ok 998 # correct SSSR count
205: ok 999 # ring membership passed
205: ok 1000 # correct SSSR count
205: ok 1001 # ring membership passed
205: ok 1002 # correct SSSR count
205: ok 1003 # ring membership passed
205: ok 1004 # correct SSSR count
205: ok 1005 # ring membership passed
205: ok 1006 # correct SSSR count
205: ok 1007 # ring membership passed
205: ok 1008 # correct SSSR count
205: ok 1009 # ring membership passed
205: ok 1010 # correct SSSR count
205: ok 1011 # ring membership passed
205: ok 1012 # correct SSSR count
205: ok 1013 # ring membership passed
205: ok 1014 # correct SSSR count
205: ok 1015 # ring membership passed
205: ok 1016 # correct SSSR count
205: ok 1017 # ring membership passed
205: ok 1018 # correct SSSR count
205: ok 1019 # ring membership passed
205: ok 1020 # correct SSSR count
205: ok 1021 # ring membership passed
205: ok 1022 # correct ring bond data
205: ok 1023 # correct ring bond data
205: ok 1024 # correct ring bond data
205: ok 1025 # correct ring bond data
205: ok 1026 # correct ring bond data
205: ok 1027 # correct ring bond data
205: ok 1028 # correct ring bond data
205: ok 1029 # correct ring bond data
205: ok 1030 # correct ring bond data
205: ok 1031 # correct ring bond data
205: ok 1032 # correct ring bond data
205: ok 1033 # correct ring bond data
205: ok 1034 # correct ring bond data
205: ok 1035 # correct ring bond data
205: ok 1036 # correct ring bond data
205: ok 1037 # correct ring bond data
205: ok 1038 # correct ring bond data
205: ok 1039 # correct ring bond data
205: ok 1040 # correct ring bond data
205: ok 1041 # correct ring bond data
205: ok 1042 # correct ring bond data
205: ok 1043 # correct ring bond data
205: ok 1044 # correct ring bond data
205: ok 1045 # SSSR size matches reference
205: ok 1046 # correct SSSR count
205: ok 1047 # ring membership passed
205: ok 1048 # correct SSSR count
205: ok 1049 # ring membership passed
205: ok 1050 # correct SSSR count
205: ok 1051 # ring membership passed
205: ok 1052 # correct SSSR count
205: ok 1053 # ring membership passed
205: ok 1054 # correct SSSR count
205: ok 1055 # ring membership passed
205: ok 1056 # correct SSSR count
205: ok 1057 # ring membership passed
205: ok 1058 # correct SSSR count
205: ok 1059 # ring membership passed
205: ok 1060 # correct SSSR count
205: ok 1061 # ring membership passed
205: ok 1062 # correct SSSR count
205: ok 1063 # ring membership passed
205: ok 1064 # correct SSSR count
205: ok 1065 # ring membership passed
205: ok 1066 # correct SSSR count
205: ok 1067 # ring membership passed
205: ok 1068 # correct SSSR count
205: ok 1069 # ring membership passed
205: ok 1070 # correct SSSR count
205: ok 1071 # ring membership passed
205: ok 1072 # correct SSSR count
205: ok 1073 # ring membership passed
205: ok 1074 # correct SSSR count
205: ok 1075 # ring membership passed
205: ok 1076 # correct SSSR count
205: ok 1077 # ring membership passed
205: ok 1078 # correct SSSR count
205: ok 1079 # ring membership passed
205: ok 1080 # correct SSSR count
205: ok 1081 # ring membership passed
205: ok 1082 # correct SSSR count
205: ok 1083 # ring membership passed
205: ok 1084 # correct SSSR count
205: ok 1085 # ring membership passed
205: ok 1086 # correct SSSR count
205: ok 1087 # ring membership passed
205: ok 1088 # correct ring bond data
205: ok 1089 # correct ring bond data
205: ok 1090 # correct ring bond data
205: ok 1091 # correct ring bond data
205: ok 1092 # correct ring bond data
205: ok 1093 # correct ring bond data
205: ok 1094 # correct ring bond data
205: ok 1095 # correct ring bond data
205: ok 1096 # correct ring bond data
205: ok 1097 # correct ring bond data
205: ok 1098 # correct ring bond data
205: ok 1099 # correct ring bond data
205: ok 1100 # correct ring bond data
205: ok 1101 # correct ring bond data
205: ok 1102 # correct ring bond data
205: ok 1103 # correct ring bond data
205: ok 1104 # correct ring bond data
205: ok 1105 # correct ring bond data
205: ok 1106 # SSSR size matches reference
205: ok 1107 # correct SSSR count
205: ok 1108 # ring membership passed
205: ok 1109 # correct SSSR count
205: ok 1110 # ring membership passed
205: ok 1111 # correct SSSR count
205: ok 1112 # ring membership passed
205: ok 1113 # correct SSSR count
205: ok 1114 # ring membership passed
205: ok 1115 # correct SSSR count
205: ok 1116 # ring membership passed
205: ok 1117 # correct SSSR count
205: ok 1118 # ring membership passed
205: ok 1119 # correct SSSR count
205: ok 1120 # ring membership passed
205: ok 1121 # correct SSSR count
205: ok 1122 # ring membership passed
205: ok 1123 # correct SSSR count
205: ok 1124 # ring membership passed
205: ok 1125 # correct SSSR count
205: ok 1126 # ring membership passed
205: ok 1127 # correct SSSR count
205: ok 1128 # ring membership passed
205: ok 1129 # correct SSSR count
205: ok 1130 # ring membership passed
205: ok 1131 # correct SSSR count
205: ok 1132 # ring membership passed
205: ok 1133 # correct SSSR count
205: ok 1134 # ring membership passed
205: ok 1135 # correct SSSR count
205: ok 1136 # ring membership passed
205: ok 1137 # correct SSSR count
205: ok 1138 # ring membership passed
205: ok 1139 # correct ring bond data
205: ok 1140 # correct ring bond data
205: ok 1141 # correct ring bond data
205: ok 1142 # correct ring bond data
205: ok 1143 # correct ring bond data
205: ok 1144 # correct ring bond data
205: ok 1145 # correct ring bond data
205: ok 1146 # correct ring bond data
205: ok 1147 # correct ring bond data
205: ok 1148 # correct ring bond data
205: ok 1149 # correct ring bond data
205: ok 1150 # correct ring bond data
205: ok 1151 # correct ring bond data
205: ok 1152 # correct ring bond data
205: ok 1153 # correct ring bond data
205: ok 1154 # correct ring bond data
205: ok 1155 # correct ring bond data
205: ok 1156 # correct ring bond data
205: ok 1157 # correct ring bond data
205: ok 1158 # correct ring bond data
205: ok 1159 # SSSR size matches reference
205: ok 1160 # correct SSSR count
205: ok 1161 # ring membership passed
205: ok 1162 # correct SSSR count
205: ok 1163 # ring membership passed
205: ok 1164 # correct SSSR count
205: ok 1165 # ring membership passed
205: ok 1166 # correct SSSR count
205: ok 1167 # ring membership passed
205: ok 1168 # correct SSSR count
205: ok 1169 # ring membership passed
205: ok 1170 # correct SSSR count
205: ok 1171 # ring membership passed
205: ok 1172 # correct SSSR count
205: ok 1173 # ring membership passed
205: ok 1174 # correct SSSR count
205: ok 1175 # ring membership passed
205: ok 1176 # correct SSSR count
205: ok 1177 # ring membership passed
205: ok 1178 # correct SSSR count
205: ok 1179 # ring membership passed
205: ok 1180 # correct SSSR count
205: ok 1181 # ring membership passed
205: ok 1182 # correct SSSR count
205: ok 1183 # ring membership passed
205: ok 1184 # correct SSSR count
205: ok 1185 # ring membership passed
205: ok 1186 # correct SSSR count
205: ok 1187 # ring membership passed
205: ok 1188 # correct SSSR count
205: ok 1189 # ring membership passed
205: ok 1190 # correct SSSR count
205: ok 1191 # ring membership passed
205: ok 1192 # correct SSSR count
205: ok 1193 # ring membership passed
205: ok 1194 # correct SSSR count
205: ok 1195 # ring membership passed
205: ok 1196 # correct ring bond data
205: ok 1197 # correct ring bond data
205: ok 1198 # correct ring bond data
205: ok 1199 # correct ring bond data
205: ok 1200 # correct ring bond data
205: ok 1201 # correct ring bond data
205: ok 1202 # correct ring bond data
205: ok 1203 # correct ring bond data
205: ok 1204 # correct ring bond data
205: ok 1205 # correct ring bond data
205: ok 1206 # SSSR size matches reference
205: ok 1207 # correct SSSR count
205: ok 1208 # ring membership passed
205: ok 1209 # correct SSSR count
205: ok 1210 # ring membership passed
205: ok 1211 # correct SSSR count
205: ok 1212 # ring membership passed
205: ok 1213 # correct SSSR count
205: ok 1214 # ring membership passed
205: ok 1215 # correct SSSR count
205: ok 1216 # ring membership passed
205: ok 1217 # correct SSSR count
205: ok 1218 # ring membership passed
205: ok 1219 # correct SSSR count
205: ok 1220 # ring membership passed
205: ok 1221 # correct SSSR count
205: ok 1222 # ring membership passed
205: ok 1223 # correct SSSR count
205: ok 1224 # ring membership passed
205: ok 1225 # correct SSSR count
205: ok 1226 # ring membership passed
205: ok 1227 # correct SSSR count
205: ok 1228 # ring membership passed
205: ok 1229 # correct ring bond data
205: ok 1230 # correct ring bond data
205: ok 1231 # correct ring bond data
205: ok 1232 # correct ring bond data
205: ok 1233 # correct ring bond data
205: ok 1234 # correct ring bond data
205: ok 1235 # correct ring bond data
205: ok 1236 # correct ring bond data
205: ok 1237 # correct ring bond data
205: ok 1238 # correct ring bond data
205: ok 1239 # correct ring bond data
205: ok 1240 # correct ring bond data
205: ok 1241 # correct ring bond data
205: ok 1242 # correct ring bond data
205: ok 1243 # correct ring bond data
205: ok 1244 # correct ring bond data
205: ok 1245 # correct ring bond data
205: ok 1246 # correct ring bond data
205: ok 1247 # correct ring bond data
205: ok 1248 # correct ring bond data
205: ok 1249 # correct ring bond data
205: ok 1250 # correct ring bond data
205: ok 1251 # SSSR size matches reference
205: ok 1252 # correct SSSR count
205: ok 1253 # ring membership passed
205: ok 1254 # correct SSSR count
205: ok 1255 # ring membership passed
205: ok 1256 # correct SSSR count
205: ok 1257 # ring membership passed
205: ok 1258 # correct SSSR count
205: ok 1259 # ring membership passed
205: ok 1260 # correct SSSR count
205: ok 1261 # ring membership passed
205: ok 1262 # correct SSSR count
205: ok 1263 # ring membership passed
205: ok 1264 # correct SSSR count
205: ok 1265 # ring membership passed
205: ok 1266 # correct SSSR count
205: ok 1267 # ring membership passed
205: ok 1268 # correct SSSR count
205: ok 1269 # ring membership passed
205: ok 1270 # correct SSSR count
205: ok 1271 # ring membership passed
205: ok 1272 # correct SSSR count
205: ok 1273 # ring membership passed
205: ok 1274 # correct SSSR count
205: ok 1275 # ring membership passed
205: ok 1276 # correct SSSR count
205: ok 1277 # ring membership passed
205: ok 1278 # correct SSSR count
205: ok 1279 # ring membership passed
205: ok 1280 # correct SSSR count
205: ok 1281 # ring membership passed
205: ok 1282 # correct SSSR count
205: ok 1283 # ring membership passed
205: ok 1284 # correct SSSR count
205: ok 1285 # ring membership passed
205: ok 1286 # correct SSSR count
205: ok 1287 # ring membership passed
205: ok 1288 # correct SSSR count
205: ok 1289 # ring membership passed
205: ok 1290 # correct SSSR count
205: ok 1291 # ring membership passed
205: ok 1292 # correct ring bond data
205: ok 1293 # correct ring bond data
205: ok 1294 # correct ring bond data
205: ok 1295 # correct ring bond data
205: ok 1296 # correct ring bond data
205: ok 1297 # correct ring bond data
205: ok 1298 # correct ring bond data
205: ok 1299 # correct ring bond data
205: ok 1300 # correct ring bond data
205: ok 1301 # correct ring bond data
205: ok 1302 # correct ring bond data
205: ok 1303 # correct ring bond data
205: ok 1304 # correct ring bond data
205: ok 1305 # correct ring bond data
205: ok 1306 # SSSR size matches reference
205: ok 1307 # correct SSSR count
205: ok 1308 # ring membership passed
205: ok 1309 # correct SSSR count
205: ok 1310 # ring membership passed
205: ok 1311 # correct SSSR count
205: ok 1312 # ring membership passed
205: ok 1313 # correct SSSR count
205: ok 1314 # ring membership passed
205: ok 1315 # correct SSSR count
205: ok 1316 # ring membership passed
205: ok 1317 # correct SSSR count
205: ok 1318 # ring membership passed
205: ok 1319 # correct SSSR count
205: ok 1320 # ring membership passed
205: ok 1321 # correct SSSR count
205: ok 1322 # ring membership passed
205: ok 1323 # correct SSSR count
205: ok 1324 # ring membership passed
205: ok 1325 # correct SSSR count
205: ok 1326 # ring membership passed
205: ok 1327 # correct SSSR count
205: ok 1328 # ring membership passed
205: ok 1329 # correct SSSR count
205: ok 1330 # ring membership passed
205: ok 1331 # correct SSSR count
205: ok 1332 # ring membership passed
205: ok 1333 # correct ring bond data
205: ok 1334 # correct ring bond data
205: ok 1335 # correct ring bond data
205: ok 1336 # correct ring bond data
205: ok 1337 # correct ring bond data
205: ok 1338 # correct ring bond data
205: ok 1339 # correct ring bond data
205: ok 1340 # correct ring bond data
205: ok 1341 # correct ring bond data
205: ok 1342 # correct ring bond data
205: ok 1343 # correct ring bond data
205: ok 1344 # correct ring bond data
205: ok 1345 # correct ring bond data
205: ok 1346 # correct ring bond data
205: ok 1347 # correct ring bond data
205: ok 1348 # correct ring bond data
205: ok 1349 # correct ring bond data
205: ok 1350 # correct ring bond data
205: ok 1351 # correct ring bond data
205: ok 1352 # correct ring bond data
205: ok 1353 # correct ring bond data
205: ok 1354 # correct ring bond data
205: ok 1355 # correct ring bond data
205: ok 1356 # correct ring bond data
205: ok 1357 # SSSR size matches reference
205: ok 1358 # correct SSSR count
205: ok 1359 # ring membership passed
205: ok 1360 # correct SSSR count
205: ok 1361 # ring membership passed
205: ok 1362 # correct SSSR count
205: ok 1363 # ring membership passed
205: ok 1364 # correct SSSR count
205: ok 1365 # ring membership passed
205: ok 1366 # correct SSSR count
205: ok 1367 # ring membership passed
205: ok 1368 # correct SSSR count
205: ok 1369 # ring membership passed
205: ok 1370 # correct SSSR count
205: ok 1371 # ring membership passed
205: ok 1372 # correct SSSR count
205: ok 1373 # ring membership passed
205: ok 1374 # correct SSSR count
205: ok 1375 # ring membership passed
205: ok 1376 # correct SSSR count
205: ok 1377 # ring membership passed
205: ok 1378 # correct SSSR count
205: ok 1379 # ring membership passed
205: ok 1380 # correct SSSR count
205: ok 1381 # ring membership passed
205: ok 1382 # correct SSSR count
205: ok 1383 # ring membership passed
205: ok 1384 # correct SSSR count
205: ok 1385 # ring membership passed
205: ok 1386 # correct SSSR count
205: ok 1387 # ring membership passed
205: ok 1388 # correct SSSR count
205: ok 1389 # ring membership passed
205: ok 1390 # correct SSSR count
205: ok 1391 # ring membership passed
205: ok 1392 # correct SSSR count
205: ok 1393 # ring membership passed
205: ok 1394 # correct SSSR count
205: ok 1395 # ring membership passed
205: ok 1396 # correct SSSR count
205: ok 1397 # ring membership passed
205: ok 1398 # correct SSSR count
205: ok 1399 # ring membership passed
205: ok 1400 # correct SSSR count
205: ok 1401 # ring membership passed
205: ok 1402 # correct ring bond data
205: ok 1403 # correct ring bond data
205: ok 1404 # correct ring bond data
205: ok 1405 # correct ring bond data
205: ok 1406 # correct ring bond data
205: ok 1407 # correct ring bond data
205: ok 1408 # correct ring bond data
205: ok 1409 # correct ring bond data
205: ok 1410 # correct ring bond data
205: ok 1411 # correct ring bond data
205: ok 1412 # correct ring bond data
205: ok 1413 # correct ring bond data
205: ok 1414 # correct ring bond data
205: ok 1415 # correct ring bond data
205: ok 1416 # correct ring bond data
205: ok 1417 # correct ring bond data
205: ok 1418 # correct ring bond data
205: ok 1419 # SSSR size matches reference
205: ok 1420 # correct SSSR count
205: ok 1421 # ring membership passed
205: ok 1422 # correct SSSR count
205: ok 1423 # ring membership passed
205: ok 1424 # correct SSSR count
205: ok 1425 # ring membership passed
205: ok 1426 # correct SSSR count
205: ok 1427 # ring membership passed
205: ok 1428 # correct SSSR count
205: ok 1429 # ring membership passed
205: ok 1430 # correct SSSR count
205: ok 1431 # ring membership passed
205: ok 1432 # correct SSSR count
205: ok 1433 # ring membership passed
205: ok 1434 # correct SSSR count
205: ok 1435 # ring membership passed
205: ok 1436 # correct SSSR count
205: ok 1437 # ring membership passed
205: ok 1438 # correct SSSR count
205: ok 1439 # ring membership passed
205: ok 1440 # correct SSSR count
205: ok 1441 # ring membership passed
205: ok 1442 # correct SSSR count
205: ok 1443 # ring membership passed
205: ok 1444 # correct SSSR count
205: ok 1445 # ring membership passed
205: ok 1446 # correct SSSR count
205: ok 1447 # ring membership passed
205: ok 1448 # correct SSSR count
205: ok 1449 # ring membership passed
205: ok 1450 # correct SSSR count
205: ok 1451 # ring membership passed
205: ok 1452 # correct SSSR count
205: ok 1453 # ring membership passed
205: ok 1454 # correct ring bond data
205: ok 1455 # correct ring bond data
205: ok 1456 # correct ring bond data
205: ok 1457 # correct ring bond data
205: ok 1458 # correct ring bond data
205: ok 1459 # correct ring bond data
205: ok 1460 # correct ring bond data
205: ok 1461 # correct ring bond data
205: ok 1462 # correct ring bond data
205: ok 1463 # correct ring bond data
205: ok 1464 # correct ring bond data
205: ok 1465 # correct ring bond data
205: ok 1466 # correct ring bond data
205: ok 1467 # correct ring bond data
205: ok 1468 # correct ring bond data
205: ok 1469 # correct ring bond data
205: ok 1470 # SSSR size matches reference
205: ok 1471 # correct SSSR count
205: ok 1472 # ring membership passed
205: ok 1473 # correct SSSR count
205: ok 1474 # ring membership passed
205: ok 1475 # correct SSSR count
205: ok 1476 # ring membership passed
205: ok 1477 # correct SSSR count
205: ok 1478 # ring membership passed
205: ok 1479 # correct SSSR count
205: ok 1480 # ring membership passed
205: ok 1481 # correct SSSR count
205: ok 1482 # ring membership passed
205: ok 1483 # correct SSSR count
205: ok 1484 # ring membership passed
205: ok 1485 # correct SSSR count
205: ok 1486 # ring membership passed
205: ok 1487 # correct SSSR count
205: ok 1488 # ring membership passed
205: ok 1489 # correct SSSR count
205: ok 1490 # ring membership passed
205: ok 1491 # correct SSSR count
205: ok 1492 # ring membership passed
205: ok 1493 # correct SSSR count
205: ok 1494 # ring membership passed
205: ok 1495 # correct SSSR count
205: ok 1496 # ring membership passed
205: ok 1497 # correct SSSR count
205: ok 1498 # ring membership passed
205: ok 1499 # correct SSSR count
205: ok 1500 # ring membership passed
205: ok 1501 # correct ring bond data
205: ok 1502 # correct ring bond data
205: ok 1503 # correct ring bond data
205: ok 1504 # correct ring bond data
205: ok 1505 # correct ring bond data
205: ok 1506 # correct ring bond data
205: ok 1507 # correct ring bond data
205: ok 1508 # correct ring bond data
205: ok 1509 # correct ring bond data
205: ok 1510 # correct ring bond data
205: ok 1511 # correct ring bond data
205: ok 1512 # correct ring bond data
205: ok 1513 # correct ring bond data
205: ok 1514 # correct ring bond data
205: ok 1515 # correct ring bond data
205: ok 1516 # correct ring bond data
205: ok 1517 # correct ring bond data
205: ok 1518 # correct ring bond data
205: ok 1519 # correct ring bond data
205: ok 1520 # SSSR size matches reference
205: ok 1521 # correct SSSR count
205: ok 1522 # ring membership passed
205: ok 1523 # correct SSSR count
205: ok 1524 # ring membership passed
205: ok 1525 # correct SSSR count
205: ok 1526 # ring membership passed
205: ok 1527 # correct SSSR count
205: ok 1528 # ring membership passed
205: ok 1529 # correct SSSR count
205: ok 1530 # ring membership passed
205: ok 1531 # correct SSSR count
205: ok 1532 # ring membership passed
205: ok 1533 # correct SSSR count
205: ok 1534 # ring membership passed
205: ok 1535 # correct SSSR count
205: ok 1536 # ring membership passed
205: ok 1537 # correct SSSR count
205: ok 1538 # ring membership passed
205: ok 1539 # correct SSSR count
205: ok 1540 # ring membership passed
205: ok 1541 # correct SSSR count
205: ok 1542 # ring membership passed
205: ok 1543 # correct SSSR count
205: ok 1544 # ring membership passed
205: ok 1545 # correct SSSR count
205: ok 1546 # ring membership passed
205: ok 1547 # correct SSSR count
205: ok 1548 # ring membership passed
205: ok 1549 # correct SSSR count
205: ok 1550 # ring membership passed
205: ok 1551 # correct SSSR count
205: ok 1552 # ring membership passed
205: ok 1553 # correct SSSR count
205: ok 1554 # ring membership passed
205: ok 1555 # correct SSSR count
205: ok 1556 # ring membership passed
205: ok 1557 # correct ring bond data
205: ok 1558 # correct ring bond data
205: ok 1559 # correct ring bond data
205: ok 1560 # correct ring bond data
205: ok 1561 # correct ring bond data
205: ok 1562 # correct ring bond data
205: ok 1563 # correct ring bond data
205: ok 1564 # correct ring bond data
205: ok 1565 # correct ring bond data
205: ok 1566 # correct ring bond data
205: ok 1567 # correct ring bond data
205: ok 1568 # SSSR size matches reference
205: ok 1569 # correct SSSR count
205: ok 1570 # ring membership passed
205: ok 1571 # correct SSSR count
205: ok 1572 # ring membership passed
205: ok 1573 # correct SSSR count
205: ok 1574 # ring membership passed
205: ok 1575 # correct SSSR count
205: ok 1576 # ring membership passed
205: ok 1577 # correct SSSR count
205: ok 1578 # ring membership passed
205: ok 1579 # correct SSSR count
205: ok 1580 # ring membership passed
205: ok 1581 # correct SSSR count
205: ok 1582 # ring membership passed
205: ok 1583 # correct SSSR count
205: ok 1584 # ring membership passed
205: ok 1585 # correct SSSR count
205: ok 1586 # ring membership passed
205: ok 1587 # correct SSSR count
205: ok 1588 # ring membership passed
205: ok 1589 # correct SSSR count
205: ok 1590 # ring membership passed
205: ok 1591 # correct SSSR count
205: ok 1592 # ring membership passed
205: ok 1593 # correct ring bond data
205: ok 1594 # correct ring bond data
205: ok 1595 # correct ring bond data
205: ok 1596 # correct ring bond data
205: ok 1597 # correct ring bond data
205: ok 1598 # correct ring bond data
205: ok 1599 # correct ring bond data
205: ok 1600 # correct ring bond data
205: ok 1601 # correct ring bond data
205: ok 1602 # correct ring bond data
205: ok 1603 # correct ring bond data
205: ok 1604 # correct ring bond data
205: ok 1605 # correct ring bond data
205: ok 1606 # correct ring bond data
205: ok 1607 # correct ring bond data
205: ok 1608 # correct ring bond data
205: ok 1609 # correct ring bond data
205: ok 1610 # correct ring bond data
205: ok 1611 # correct ring bond data
205: ok 1612 # SSSR size matches reference
205: ok 1613 # correct SSSR count
205: ok 1614 # ring membership passed
205: ok 1615 # correct SSSR count
205: ok 1616 # ring membership passed
205: ok 1617 # correct SSSR count
205: ok 1618 # ring membership passed
205: ok 1619 # correct SSSR count
205: ok 1620 # ring membership passed
205: ok 1621 # correct SSSR count
205: ok 1622 # ring membership passed
205: ok 1623 # correct SSSR count
205: ok 1624 # ring membership passed
205: ok 1625 # correct SSSR count
205: ok 1626 # ring membership passed
205: ok 1627 # correct SSSR count
205: ok 1628 # ring membership passed
205: ok 1629 # correct SSSR count
205: ok 1630 # ring membership passed
205: ok 1631 # correct SSSR count
205: ok 1632 # ring membership passed
205: ok 1633 # correct SSSR count
205: ok 1634 # ring membership passed
205: ok 1635 # correct SSSR count
205: ok 1636 # ring membership passed
205: ok 1637 # correct SSSR count
205: ok 1638 # ring membership passed
205: ok 1639 # correct SSSR count
205: ok 1640 # ring membership passed
205: ok 1641 # correct SSSR count
205: ok 1642 # ring membership passed
205: ok 1643 # correct SSSR count
205: ok 1644 # ring membership passed
205: ok 1645 # correct SSSR count
205: ok 1646 # ring membership passed
205: ok 1647 # correct SSSR count
205: ok 1648 # ring membership passed
205: ok 1649 # correct SSSR count
205: ok 1650 # ring membership passed
205: ok 1651 # correct ring bond data
205: ok 1652 # correct ring bond data
205: ok 1653 # correct ring bond data
205: ok 1654 # correct ring bond data
205: ok 1655 # correct ring bond data
205: ok 1656 # correct ring bond data
205: ok 1657 # correct ring bond data
205: ok 1658 # correct ring bond data
205: ok 1659 # correct ring bond data
205: ok 1660 # correct ring bond data
205: ok 1661 # correct ring bond data
205: ok 1662 # correct ring bond data
205: ok 1663 # correct ring bond data
205: ok 1664 # correct ring bond data
205: ok 1665 # correct ring bond data
205: ok 1666 # correct ring bond data
205: ok 1667 # correct ring bond data
205: ok 1668 # correct ring bond data
205: ok 1669 # correct ring bond data
205: ok 1670 # SSSR size matches reference
205: ok 1671 # correct SSSR count
205: ok 1672 # ring membership passed
205: ok 1673 # correct SSSR count
205: ok 1674 # ring membership passed
205: ok 1675 # correct SSSR count
205: ok 1676 # ring membership passed
205: ok 1677 # correct SSSR count
205: ok 1678 # ring membership passed
205: ok 1679 # correct SSSR count
205: ok 1680 # ring membership passed
205: ok 1681 # correct SSSR count
205: ok 1682 # ring membership passed
205: ok 1683 # correct SSSR count
205: ok 1684 # ring membership passed
205: ok 1685 # correct SSSR count
205: ok 1686 # ring membership passed
205: ok 1687 # correct SSSR count
205: ok 1688 # ring membership passed
205: ok 1689 # correct SSSR count
205: ok 1690 # ring membership passed
205: ok 1691 # correct SSSR count
205: ok 1692 # ring membership passed
205: ok 1693 # correct SSSR count
205: ok 1694 # ring membership passed
205: ok 1695 # correct SSSR count
205: ok 1696 # ring membership passed
205: ok 1697 # correct SSSR count
205: ok 1698 # ring membership passed
205: ok 1699 # correct SSSR count
205: ok 1700 # ring membership passed
205: ok 1701 # correct SSSR count
205: ok 1702 # ring membership passed
205: ok 1703 # correct SSSR count
205: ok 1704 # ring membership passed
205: ok 1705 # correct SSSR count
205: ok 1706 # ring membership passed
205: ok 1707 # correct SSSR count
205: ok 1708 # ring membership passed
205: ok 1709 # correct ring bond data
205: ok 1710 # correct ring bond data
205: ok 1711 # correct ring bond data
205: ok 1712 # correct ring bond data
205: ok 1713 # correct ring bond data
205: ok 1714 # correct ring bond data
205: ok 1715 # correct ring bond data
205: ok 1716 # correct ring bond data
205: ok 1717 # correct ring bond data
205: ok 1718 # correct ring bond data
205: ok 1719 # correct ring bond data
205: ok 1720 # correct ring bond data
205: ok 1721 # correct ring bond data
205: ok 1722 # correct ring bond data
205: ok 1723 # correct ring bond data
205: ok 1724 # correct ring bond data
205: ok 1725 # correct ring bond data
205: ok 1726 # correct ring bond data
205: ok 1727 # correct ring bond data
205: ok 1728 # correct ring bond data
205: ok 1729 # correct ring bond data
205: ok 1730 # correct ring bond data
205: ok 1731 # correct ring bond data
205: ok 1732 # SSSR size matches reference
205: ok 1733 # correct SSSR count
205: ok 1734 # ring membership passed
205: ok 1735 # correct SSSR count
205: ok 1736 # ring membership passed
205: ok 1737 # correct SSSR count
205: ok 1738 # ring membership passed
205: ok 1739 # correct SSSR count
205: ok 1740 # ring membership passed
205: ok 1741 # correct SSSR count
205: ok 1742 # ring membership passed
205: ok 1743 # correct SSSR count
205: ok 1744 # ring membership passed
205: ok 1745 # correct SSSR count
205: ok 1746 # ring membership passed
205: ok 1747 # correct SSSR count
205: ok 1748 # ring membership passed
205: ok 1749 # correct SSSR count
205: ok 1750 # ring membership passed
205: ok 1751 # correct SSSR count
205: ok 1752 # ring membership passed
205: ok 1753 # correct SSSR count
205: ok 1754 # ring membership passed
205: ok 1755 # correct SSSR count
205: ok 1756 # ring membership passed
205: ok 1757 # correct SSSR count
205: ok 1758 # ring membership passed
205: ok 1759 # correct SSSR count
205: ok 1760 # ring membership passed
205: ok 1761 # correct SSSR count
205: ok 1762 # ring membership passed
205: ok 1763 # correct SSSR count
205: ok 1764 # ring membership passed
205: ok 1765 # correct SSSR count
205: ok 1766 # ring membership passed
205: ok 1767 # correct SSSR count
205: ok 1768 # ring membership passed
205: ok 1769 # correct SSSR count
205: ok 1770 # ring membership passed
205: ok 1771 # correct SSSR count
205: ok 1772 # ring membership passed
205: ok 1773 # correct SSSR count
205: ok 1774 # ring membership passed
205: ok 1775 # correct ring bond data
205: ok 1776 # correct ring bond data
205: ok 1777 # correct ring bond data
205: ok 1778 # correct ring bond data
205: ok 1779 # correct ring bond data
205: ok 1780 # correct ring bond data
205: ok 1781 # correct ring bond data
205: ok 1782 # correct ring bond data
205: ok 1783 # correct ring bond data
205: ok 1784 # correct ring bond data
205: ok 1785 # correct ring bond data
205: ok 1786 # correct ring bond data
205: ok 1787 # correct ring bond data
205: ok 1788 # correct ring bond data
205: ok 1789 # correct ring bond data
205: ok 1790 # correct ring bond data
205: ok 1791 # SSSR size matches reference
205: ok 1792 # correct SSSR count
205: ok 1793 # ring membership passed
205: ok 1794 # correct SSSR count
205: ok 1795 # ring membership passed
205: ok 1796 # correct SSSR count
205: ok 1797 # ring membership passed
205: ok 1798 # correct SSSR count
205: ok 1799 # ring membership passed
205: ok 1800 # correct SSSR count
205: ok 1801 # ring membership passed
205: ok 1802 # correct SSSR count
205: ok 1803 # ring membership passed
205: ok 1804 # correct SSSR count
205: ok 1805 # ring membership passed
205: ok 1806 # correct SSSR count
205: ok 1807 # ring membership passed
205: ok 1808 # correct SSSR count
205: ok 1809 # ring membership passed
205: ok 1810 # correct SSSR count
205: ok 1811 # ring membership passed
205: ok 1812 # correct SSSR count
205: ok 1813 # ring membership passed
205: ok 1814 # correct SSSR count
205: ok 1815 # ring membership passed
205: ok 1816 # correct SSSR count
205: ok 1817 # ring membership passed
205: ok 1818 # correct SSSR count
205: ok 1819 # ring membership passed
205: ok 1820 # correct SSSR count
205: ok 1821 # ring membership passed
205: ok 1822 # correct SSSR count
205: ok 1823 # ring membership passed
205: ok 1824 # correct ring bond data
205: ok 1825 # correct ring bond data
205: ok 1826 # correct ring bond data
205: ok 1827 # correct ring bond data
205: ok 1828 # correct ring bond data
205: ok 1829 # correct ring bond data
205: ok 1830 # correct ring bond data
205: ok 1831 # correct ring bond data
205: ok 1832 # correct ring bond data
205: ok 1833 # correct ring bond data
205: ok 1834 # correct ring bond data
205: ok 1835 # correct ring bond data
205: ok 1836 # correct ring bond data
205: ok 1837 # correct ring bond data
205: ok 1838 # correct ring bond data
205: ok 1839 # correct ring bond data
205: ok 1840 # SSSR size matches reference
205: ok 1841 # correct SSSR count
205: ok 1842 # ring membership passed
205: ok 1843 # correct SSSR count
205: ok 1844 # ring membership passed
205: ok 1845 # correct SSSR count
205: ok 1846 # ring membership passed
205: ok 1847 # correct SSSR count
205: ok 1848 # ring membership passed
205: ok 1849 # correct SSSR count
205: ok 1850 # ring membership passed
205: ok 1851 # correct SSSR count
205: ok 1852 # ring membership passed
205: ok 1853 # correct SSSR count
205: ok 1854 # ring membership passed
205: ok 1855 # correct SSSR count
205: ok 1856 # ring membership passed
205: ok 1857 # correct SSSR count
205: ok 1858 # ring membership passed
205: ok 1859 # correct SSSR count
205: ok 1860 # ring membership passed
205: ok 1861 # correct SSSR count
205: ok 1862 # ring membership passed
205: ok 1863 # correct SSSR count
205: ok 1864 # ring membership passed
205: ok 1865 # correct SSSR count
205: ok 1866 # ring membership passed
205: ok 1867 # correct SSSR count
205: ok 1868 # ring membership passed
205: ok 1869 # correct SSSR count
205: ok 1870 # ring membership passed
205: ok 1871 # correct SSSR count
205: ok 1872 # ring membership passed
205: ok 1873 # correct ring bond data
205: ok 1874 # correct ring bond data
205: ok 1875 # correct ring bond data
205: ok 1876 # correct ring bond data
205: ok 1877 # correct ring bond data
205: ok 1878 # correct ring bond data
205: ok 1879 # correct ring bond data
205: ok 1880 # correct ring bond data
205: ok 1881 # correct ring bond data
205: ok 1882 # correct ring bond data
205: ok 1883 # correct ring bond data
205: ok 1884 # correct ring bond data
205: ok 1885 # correct ring bond data
205: ok 1886 # correct ring bond data
205: ok 1887 # correct ring bond data
205: ok 1888 # correct ring bond data
205: ok 1889 # SSSR size matches reference
205: ok 1890 # correct SSSR count
205: ok 1891 # ring membership passed
205: ok 1892 # correct SSSR count
205: ok 1893 # ring membership passed
205: ok 1894 # correct SSSR count
205: ok 1895 # ring membership passed
205: ok 1896 # correct SSSR count
205: ok 1897 # ring membership passed
205: ok 1898 # correct SSSR count
205: ok 1899 # ring membership passed
205: ok 1900 # correct SSSR count
205: ok 1901 # ring membership passed
205: ok 1902 # correct SSSR count
205: ok 1903 # ring membership passed
205: ok 1904 # correct SSSR count
205: ok 1905 # ring membership passed
205: ok 1906 # correct SSSR count
205: ok 1907 # ring membership passed
205: ok 1908 # correct SSSR count
205: ok 1909 # ring membership passed
205: ok 1910 # correct SSSR count
205: ok 1911 # ring membership passed
205: ok 1912 # correct SSSR count
205: ok 1913 # ring membership passed
205: ok 1914 # correct SSSR count
205: ok 1915 # ring membership passed
205: ok 1916 # correct SSSR count
205: ok 1917 # ring membership passed
205: ok 1918 # correct SSSR count
205: ok 1919 # ring membership passed
205: ok 1920 # correct SSSR count
205: ok 1921 # ring membership passed
205: ok 1922 # correct ring bond data
205: ok 1923 # correct ring bond data
205: ok 1924 # correct ring bond data
205: ok 1925 # correct ring bond data
205: ok 1926 # correct ring bond data
205: ok 1927 # correct ring bond data
205: ok 1928 # correct ring bond data
205: ok 1929 # correct ring bond data
205: ok 1930 # correct ring bond data
205: ok 1931 # correct ring bond data
205: ok 1932 # correct ring bond data
205: ok 1933 # correct ring bond data
205: ok 1934 # correct ring bond data
205: ok 1935 # correct ring bond data
205: ok 1936 # correct ring bond data
205: ok 1937 # correct ring bond data
205: ok 1938 # SSSR size matches reference
205: ok 1939 # correct SSSR count
205: ok 1940 # ring membership passed
205: ok 1941 # correct SSSR count
205: ok 1942 # ring membership passed
205: ok 1943 # correct SSSR count
205: ok 1944 # ring membership passed
205: ok 1945 # correct SSSR count
205: ok 1946 # ring membership passed
205: ok 1947 # correct SSSR count
205: ok 1948 # ring membership passed
205: ok 1949 # correct SSSR count
205: ok 1950 # ring membership passed
205: ok 1951 # correct SSSR count
205: ok 1952 # ring membership passed
205: ok 1953 # correct SSSR count
205: ok 1954 # ring membership passed
205: ok 1955 # correct SSSR count
205: ok 1956 # ring membership passed
205: ok 1957 # correct SSSR count
205: ok 1958 # ring membership passed
205: ok 1959 # correct SSSR count
205: ok 1960 # ring membership passed
205: ok 1961 # correct SSSR count
205: ok 1962 # ring membership passed
205: ok 1963 # correct SSSR count
205: ok 1964 # ring membership passed
205: ok 1965 # correct SSSR count
205: ok 1966 # ring membership passed
205: ok 1967 # correct SSSR count
205: ok 1968 # ring membership passed
205: ok 1969 # correct SSSR count
205: ok 1970 # ring membership passed
205: ok 1971 # correct ring bond data
205: ok 1972 # correct ring bond data
205: ok 1973 # correct ring bond data
205: ok 1974 # correct ring bond data
205: ok 1975 # correct ring bond data
205: ok 1976 # correct ring bond data
205: ok 1977 # correct ring bond data
205: ok 1978 # correct ring bond data
205: ok 1979 # correct ring bond data
205: ok 1980 # correct ring bond data
205: ok 1981 # correct ring bond data
205: ok 1982 # correct ring bond data
205: ok 1983 # correct ring bond data
205: ok 1984 # correct ring bond data
205: ok 1985 # correct ring bond data
205: ok 1986 # correct ring bond data
205: ok 1987 # correct ring bond data
205: ok 1988 # correct ring bond data
205: ok 1989 # correct ring bond data
205: ok 1990 # SSSR size matches reference
205: ok 1991 # correct SSSR count
205: ok 1992 # ring membership passed
205: ok 1993 # correct SSSR count
205: ok 1994 # ring membership passed
205: ok 1995 # correct SSSR count
205: ok 1996 # ring membership passed
205: ok 1997 # correct SSSR count
205: ok 1998 # ring membership passed
205: ok 1999 # correct SSSR count
205: ok 2000 # ring membership passed
205: ok 2001 # correct SSSR count
205: ok 2002 # ring membership passed
205: ok 2003 # correct SSSR count
205: ok 2004 # ring membership passed
205: ok 2005 # correct SSSR count
205: ok 2006 # ring membership passed
205: ok 2007 # correct SSSR count
205: ok 2008 # ring membership passed
205: ok 2009 # correct SSSR count
205: ok 2010 # ring membership passed
205: ok 2011 # correct SSSR count
205: ok 2012 # ring membership passed
205: ok 2013 # correct SSSR count
205: ok 2014 # ring membership passed
205: ok 2015 # correct SSSR count
205: ok 2016 # ring membership passed
205: ok 2017 # correct SSSR count
205: ok 2018 # ring membership passed
205: ok 2019 # correct SSSR count
205: ok 2020 # ring membership passed
205: ok 2021 # correct SSSR count
205: ok 2022 # ring membership passed
205: ok 2023 # correct SSSR count
205: ok 2024 # ring membership passed
205: ok 2025 # correct SSSR count
205: ok 2026 # ring membership passed
205: ok 2027 # correct ring bond data
205: ok 2028 # correct ring bond data
205: ok 2029 # correct ring bond data
205: ok 2030 # correct ring bond data
205: ok 2031 # correct ring bond data
205: ok 2032 # correct ring bond data
205: ok 2033 # correct ring bond data
205: ok 2034 # correct ring bond data
205: ok 2035 # correct ring bond data
205: ok 2036 # correct ring bond data
205: ok 2037 # correct ring bond data
205: ok 2038 # correct ring bond data
205: ok 2039 # correct ring bond data
205: ok 2040 # correct ring bond data
205: ok 2041 # correct ring bond data
205: ok 2042 # correct ring bond data
205: ok 2043 # correct ring bond data
205: ok 2044 # correct ring bond data
205: ok 2045 # correct ring bond data
205: ok 2046 # SSSR size matches reference
205: ok 2047 # correct SSSR count
205: ok 2048 # ring membership passed
205: ok 2049 # correct SSSR count
205: ok 2050 # ring membership passed
205: ok 2051 # correct SSSR count
205: ok 2052 # ring membership passed
205: ok 2053 # correct SSSR count
205: ok 2054 # ring membership passed
205: ok 2055 # correct SSSR count
205: ok 2056 # ring membership passed
205: ok 2057 # correct SSSR count
205: ok 2058 # ring membership passed
205: ok 2059 # correct SSSR count
205: ok 2060 # ring membership passed
205: ok 2061 # correct SSSR count
205: ok 2062 # ring membership passed
205: ok 2063 # correct SSSR count
205: ok 2064 # ring membership passed
205: ok 2065 # correct SSSR count
205: ok 2066 # ring membership passed
205: ok 2067 # correct SSSR count
205: ok 2068 # ring membership passed
205: ok 2069 # correct SSSR count
205: ok 2070 # ring membership passed
205: ok 2071 # correct SSSR count
205: ok 2072 # ring membership passed
205: ok 2073 # correct SSSR count
205: ok 2074 # ring membership passed
205: ok 2075 # correct SSSR count
205: ok 2076 # ring membership passed
205: ok 2077 # correct SSSR count
205: ok 2078 # ring membership passed
205: ok 2079 # correct SSSR count
205: ok 2080 # ring membership passed
205: ok 2081 # correct ring bond data
205: ok 2082 # correct ring bond data
205: ok 2083 # correct ring bond data
205: ok 2084 # correct ring bond data
205: ok 2085 # correct ring bond data
205: ok 2086 # correct ring bond data
205: ok 2087 # correct ring bond data
205: ok 2088 # correct ring bond data
205: ok 2089 # correct ring bond data
205: ok 2090 # correct ring bond data
205: ok 2091 # correct ring bond data
205: ok 2092 # correct ring bond data
205: ok 2093 # correct ring bond data
205: ok 2094 # correct ring bond data
205: ok 2095 # correct ring bond data
205: ok 2096 # correct ring bond data
205: ok 2097 # correct ring bond data
205: ok 2098 # correct ring bond data
205: ok 2099 # correct ring bond data
205: ok 2100 # correct ring bond data
205: ok 2101 # correct ring bond data
205: ok 2102 # correct ring bond data
205: ok 2103 # correct ring bond data
205: ok 2104 # correct ring bond data
205: ok 2105 # correct ring bond data
205: ok 2106 # correct ring bond data
205: ok 2107 # correct ring bond data
205: ok 2108 # SSSR size matches reference
205: ok 2109 # correct SSSR count
205: ok 2110 # ring membership passed
205: ok 2111 # correct SSSR count
205: ok 2112 # ring membership passed
205: ok 2113 # correct SSSR count
205: ok 2114 # ring membership passed
205: ok 2115 # correct SSSR count
205: ok 2116 # ring membership passed
205: ok 2117 # correct SSSR count
205: ok 2118 # ring membership passed
205: ok 2119 # correct SSSR count
205: ok 2120 # ring membership passed
205: ok 2121 # correct SSSR count
205: ok 2122 # ring membership passed
205: ok 2123 # correct SSSR count
205: ok 2124 # ring membership passed
205: ok 2125 # correct SSSR count
205: ok 2126 # ring membership passed
205: ok 2127 # correct SSSR count
205: ok 2128 # ring membership passed
205: ok 2129 # correct SSSR count
205: ok 2130 # ring membership passed
205: ok 2131 # correct SSSR count
205: ok 2132 # ring membership passed
205: ok 2133 # correct SSSR count
205: ok 2134 # ring membership passed
205: ok 2135 # correct SSSR count
205: ok 2136 # ring membership passed
205: ok 2137 # correct SSSR count
205: ok 2138 # ring membership passed
205: ok 2139 # correct SSSR count
205: ok 2140 # ring membership passed
205: ok 2141 # correct SSSR count
205: ok 2142 # ring membership passed
205: ok 2143 # correct SSSR count
205: ok 2144 # ring membership passed
205: ok 2145 # correct SSSR count
205: ok 2146 # ring membership passed
205: ok 2147 # correct SSSR count
205: ok 2148 # ring membership passed
205: ok 2149 # correct SSSR count
205: ok 2150 # ring membership passed
205: ok 2151 # correct SSSR count
205: ok 2152 # ring membership passed
205: ok 2153 # correct SSSR count
205: ok 2154 # ring membership passed
205: ok 2155 # correct SSSR count
205: ok 2156 # ring membership passed
205: ok 2157 # correct SSSR count
205: ok 2158 # ring membership passed
205: ok 2159 # correct SSSR count
205: ok 2160 # ring membership passed
205: ok 2161 # correct ring bond data
205: ok 2162 # correct ring bond data
205: ok 2163 # correct ring bond data
205: ok 2164 # correct ring bond data
205: ok 2165 # correct ring bond data
205: ok 2166 # correct ring bond data
205: ok 2167 # correct ring bond data
205: ok 2168 # correct ring bond data
205: ok 2169 # correct ring bond data
205: ok 2170 # correct ring bond data
205: ok 2171 # correct ring bond data
205: ok 2172 # correct ring bond data
205: ok 2173 # correct ring bond data
205: ok 2174 # correct ring bond data
205: ok 2175 # correct ring bond data
205: ok 2176 # correct ring bond data
205: ok 2177 # correct ring bond data
205: ok 2178 # correct ring bond data
205: ok 2179 # correct ring bond data
205: ok 2180 # correct ring bond data
205: ok 2181 # SSSR size matches reference
205: ok 2182 # correct SSSR count
205: ok 2183 # ring membership passed
205: ok 2184 # correct SSSR count
205: ok 2185 # ring membership passed
205: ok 2186 # correct SSSR count
205: ok 2187 # ring membership passed
205: ok 2188 # correct SSSR count
205: ok 2189 # ring membership passed
205: ok 2190 # correct SSSR count
205: ok 2191 # ring membership passed
205: ok 2192 # correct SSSR count
205: ok 2193 # ring membership passed
205: ok 2194 # correct SSSR count
205: ok 2195 # ring membership passed
205: ok 2196 # correct SSSR count
205: ok 2197 # ring membership passed
205: ok 2198 # correct SSSR count
205: ok 2199 # ring membership passed
205: ok 2200 # correct SSSR count
205: ok 2201 # ring membership passed
205: ok 2202 # correct SSSR count
205: ok 2203 # ring membership passed
205: ok 2204 # correct SSSR count
205: ok 2205 # ring membership passed
205: ok 2206 # correct SSSR count
205: ok 2207 # ring membership passed
205: ok 2208 # correct SSSR count
205: ok 2209 # ring membership passed
205: ok 2210 # correct SSSR count
205: ok 2211 # ring membership passed
205: ok 2212 # correct SSSR count
205: ok 2213 # ring membership passed
205: ok 2214 # correct SSSR count
205: ok 2215 # ring membership passed
205: ok 2216 # correct SSSR count
205: ok 2217 # ring membership passed
205: ok 2218 # correct SSSR count
205: ok 2219 # ring membership passed
205: ok 2220 # correct ring bond data
205: ok 2221 # correct ring bond data
205: ok 2222 # correct ring bond data
205: ok 2223 # correct ring bond data
205: ok 2224 # correct ring bond data
205: ok 2225 # correct ring bond data
205: ok 2226 # correct ring bond data
205: ok 2227 # correct ring bond data
205: ok 2228 # correct ring bond data
205: ok 2229 # correct ring bond data
205: ok 2230 # correct ring bond data
205: ok 2231 # correct ring bond data
205: ok 2232 # correct ring bond data
205: ok 2233 # correct ring bond data
205: ok 2234 # correct ring bond data
205: ok 2235 # correct ring bond data
205: ok 2236 # correct ring bond data
205: ok 2237 # correct ring bond data
205: ok 2238 # correct ring bond data
205: ok 2239 # correct ring bond data
205: ok 2240 # SSSR size matches reference
205: ok 2241 # correct SSSR count
205: ok 2242 # ring membership passed
205: ok 2243 # correct SSSR count
205: ok 2244 # ring membership passed
205: ok 2245 # correct SSSR count
205: ok 2246 # ring membership passed
205: ok 2247 # correct SSSR count
205: ok 2248 # ring membership passed
205: ok 2249 # correct SSSR count
205: ok 2250 # ring membership passed
205: ok 2251 # correct SSSR count
205: ok 2252 # ring membership passed
205: ok 2253 # correct SSSR count
205: ok 2254 # ring membership passed
205: ok 2255 # correct SSSR count
205: ok 2256 # ring membership passed
205: ok 2257 # correct SSSR count
205: ok 2258 # ring membership passed
205: ok 2259 # correct SSSR count
205: ok 2260 # ring membership passed
205: ok 2261 # correct SSSR count
205: ok 2262 # ring membership passed
205: ok 2263 # correct SSSR count
205: ok 2264 # ring membership passed
205: ok 2265 # correct SSSR count
205: ok 2266 # ring membership passed
205: ok 2267 # correct SSSR count
205: ok 2268 # ring membership passed
205: ok 2269 # correct SSSR count
205: ok 2270 # ring membership passed
205: ok 2271 # correct SSSR count
205: ok 2272 # ring membership passed
205: ok 2273 # correct SSSR count
205: ok 2274 # ring membership passed
205: ok 2275 # correct SSSR count
205: ok 2276 # ring membership passed
205: ok 2277 # correct SSSR count
205: ok 2278 # ring membership passed
205: ok 2279 # correct ring bond data
205: ok 2280 # correct ring bond data
205: ok 2281 # correct ring bond data
205: ok 2282 # correct ring bond data
205: ok 2283 # correct ring bond data
205: ok 2284 # correct ring bond data
205: ok 2285 # correct ring bond data
205: ok 2286 # correct ring bond data
205: ok 2287 # correct ring bond data
205: ok 2288 # correct ring bond data
205: ok 2289 # correct ring bond data
205: ok 2290 # correct ring bond data
205: ok 2291 # correct ring bond data
205: ok 2292 # correct ring bond data
205: ok 2293 # correct ring bond data
205: ok 2294 # correct ring bond data
205: ok 2295 # correct ring bond data
205: ok 2296 # correct ring bond data
205: ok 2297 # correct ring bond data
205: ok 2298 # SSSR size matches reference
205: ok 2299 # correct SSSR count
205: ok 2300 # ring membership passed
205: ok 2301 # correct SSSR count
205: ok 2302 # ring membership passed
205: ok 2303 # correct SSSR count
205: ok 2304 # ring membership passed
205: ok 2305 # correct SSSR count
205: ok 2306 # ring membership passed
205: ok 2307 # correct SSSR count
205: ok 2308 # ring membership passed
205: ok 2309 # correct SSSR count
205: ok 2310 # ring membership passed
205: ok 2311 # correct SSSR count
205: ok 2312 # ring membership passed
205: ok 2313 # correct SSSR count
205: ok 2314 # ring membership passed
205: ok 2315 # correct SSSR count
205: ok 2316 # ring membership passed
205: ok 2317 # correct SSSR count
205: ok 2318 # ring membership passed
205: ok 2319 # correct SSSR count
205: ok 2320 # ring membership passed
205: ok 2321 # correct SSSR count
205: ok 2322 # ring membership passed
205: ok 2323 # correct SSSR count
205: ok 2324 # ring membership passed
205: ok 2325 # correct SSSR count
205: ok 2326 # ring membership passed
205: ok 2327 # correct SSSR count
205: ok 2328 # ring membership passed
205: ok 2329 # correct SSSR count
205: ok 2330 # ring membership passed
205: ok 2331 # correct SSSR count
205: ok 2332 # ring membership passed
205: ok 2333 # correct SSSR count
205: ok 2334 # ring membership passed
205: ok 2335 # correct ring bond data
205: ok 2336 # correct ring bond data
205: ok 2337 # correct ring bond data
205: ok 2338 # correct ring bond data
205: ok 2339 # correct ring bond data
205: ok 2340 # correct ring bond data
205: ok 2341 # correct ring bond data
205: ok 2342 # correct ring bond data
205: ok 2343 # correct ring bond data
205: ok 2344 # correct ring bond data
205: ok 2345 # correct ring bond data
205: ok 2346 # correct ring bond data
205: ok 2347 # correct ring bond data
205: ok 2348 # correct ring bond data
205: ok 2349 # correct ring bond data
205: ok 2350 # correct ring bond data
205: ok 2351 # SSSR size matches reference
205: ok 2352 # correct SSSR count
205: ok 2353 # ring membership passed
205: ok 2354 # correct SSSR count
205: ok 2355 # ring membership passed
205: ok 2356 # correct SSSR count
205: ok 2357 # ring membership passed
205: ok 2358 # correct SSSR count
205: ok 2359 # ring membership passed
205: ok 2360 # correct SSSR count
205: ok 2361 # ring membership passed
205: ok 2362 # correct SSSR count
205: ok 2363 # ring membership passed
205: ok 2364 # correct SSSR count
205: ok 2365 # ring membership passed
205: ok 2366 # correct SSSR count
205: ok 2367 # ring membership passed
205: ok 2368 # correct SSSR count
205: ok 2369 # ring membership passed
205: ok 2370 # correct SSSR count
205: ok 2371 # ring membership passed
205: ok 2372 # correct SSSR count
205: ok 2373 # ring membership passed
205: ok 2374 # correct SSSR count
205: ok 2375 # ring membership passed
205: ok 2376 # correct SSSR count
205: ok 2377 # ring membership passed
205: ok 2378 # correct SSSR count
205: ok 2379 # ring membership passed
205: ok 2380 # correct SSSR count
205: ok 2381 # ring membership passed
205: ok 2382 # correct ring bond data
205: ok 2383 # correct ring bond data
205: ok 2384 # correct ring bond data
205: ok 2385 # correct ring bond data
205: ok 2386 # correct ring bond data
205: ok 2387 # correct ring bond data
205: ok 2388 # correct ring bond data
205: ok 2389 # correct ring bond data
205: ok 2390 # correct ring bond data
205: ok 2391 # correct ring bond data
205: ok 2392 # correct ring bond data
205: ok 2393 # correct ring bond data
205: ok 2394 # correct ring bond data
205: ok 2395 # correct ring bond data
205: ok 2396 # correct ring bond data
205: ok 2397 # correct ring bond data
205: ok 2398 # SSSR size matches reference
205: ok 2399 # correct SSSR count
205: ok 2400 # ring membership passed
205: ok 2401 # correct SSSR count
205: ok 2402 # ring membership passed
205: ok 2403 # correct SSSR count
205: ok 2404 # ring membership passed
205: ok 2405 # correct SSSR count
205: ok 2406 # ring membership passed
205: ok 2407 # correct SSSR count
205: ok 2408 # ring membership passed
205: ok 2409 # correct SSSR count
205: ok 2410 # ring membership passed
205: ok 2411 # correct SSSR count
205: ok 2412 # ring membership passed
205: ok 2413 # correct SSSR count
205: ok 2414 # ring membership passed
205: ok 2415 # correct SSSR count
205: ok 2416 # ring membership passed
205: ok 2417 # correct SSSR count
205: ok 2418 # ring membership passed
205: ok 2419 # correct SSSR count
205: ok 2420 # ring membership passed
205: ok 2421 # correct SSSR count
205: ok 2422 # ring membership passed
205: ok 2423 # correct SSSR count
205: ok 2424 # ring membership passed
205: ok 2425 # correct SSSR count
205: ok 2426 # ring membership passed
205: ok 2427 # correct SSSR count
205: ok 2428 # ring membership passed
205: ok 2429 # correct ring bond data
205: ok 2430 # correct ring bond data
205: ok 2431 # correct ring bond data
205: ok 2432 # correct ring bond data
205: ok 2433 # correct ring bond data
205: ok 2434 # correct ring bond data
205: ok 2435 # correct ring bond data
205: ok 2436 # correct ring bond data
205: ok 2437 # correct ring bond data
205: ok 2438 # correct ring bond data
205: ok 2439 # correct ring bond data
205: ok 2440 # correct ring bond data
205: ok 2441 # correct ring bond data
205: ok 2442 # correct ring bond data
205: ok 2443 # correct ring bond data
205: ok 2444 # correct ring bond data
205: ok 2445 # correct ring bond data
205: ok 2446 # correct ring bond data
205: ok 2447 # correct ring bond data
205: ok 2448 # SSSR size matches reference
205: ok 2449 # correct SSSR count
205: ok 2450 # ring membership passed
205: ok 2451 # correct SSSR count
205: ok 2452 # ring membership passed
205: ok 2453 # correct SSSR count
205: ok 2454 # ring membership passed
205: ok 2455 # correct SSSR count
205: ok 2456 # ring membership passed
205: ok 2457 # correct SSSR count
205: ok 2458 # ring membership passed
205: ok 2459 # correct SSSR count
205: ok 2460 # ring membership passed
205: ok 2461 # correct SSSR count
205: ok 2462 # ring membership passed
205: ok 2463 # correct SSSR count
205: ok 2464 # ring membership passed
205: ok 2465 # correct SSSR count
205: ok 2466 # ring membership passed
205: ok 2467 # correct SSSR count
205: ok 2468 # ring membership passed
205: ok 2469 # correct SSSR count
205: ok 2470 # ring membership passed
205: ok 2471 # correct SSSR count
205: ok 2472 # ring membership passed
205: ok 2473 # correct SSSR count
205: ok 2474 # ring membership passed
205: ok 2475 # correct SSSR count
205: ok 2476 # ring membership passed
205: ok 2477 # correct SSSR count
205: ok 2478 # ring membership passed
205: ok 2479 # correct SSSR count
205: ok 2480 # ring membership passed
205: ok 2481 # correct SSSR count
205: ok 2482 # ring membership passed
205: ok 2483 # correct SSSR count
205: ok 2484 # ring membership passed
205: ok 2485 # correct ring bond data
205: ok 2486 # correct ring bond data
205: ok 2487 # correct ring bond data
205: ok 2488 # correct ring bond data
205: ok 2489 # correct ring bond data
205: ok 2490 # correct ring bond data
205: ok 2491 # correct ring bond data
205: ok 2492 # correct ring bond data
205: ok 2493 # correct ring bond data
205: ok 2494 # correct ring bond data
205: ok 2495 # correct ring bond data
205: ok 2496 # correct ring bond data
205: ok 2497 # correct ring bond data
205: ok 2498 # correct ring bond data
205: ok 2499 # correct ring bond data
205: ok 2500 # correct ring bond data
205: ok 2501 # correct ring bond data
205: ok 2502 # correct ring bond data
205: ok 2503 # correct ring bond data
205: ok 2504 # correct ring bond data
205: ok 2505 # SSSR size matches reference
205: ok 2506 # correct SSSR count
205: ok 2507 # ring membership passed
205: ok 2508 # correct SSSR count
205: ok 2509 # ring membership passed
205: ok 2510 # correct SSSR count
205: ok 2511 # ring membership passed
205: ok 2512 # correct SSSR count
205: ok 2513 # ring membership passed
205: ok 2514 # correct SSSR count
205: ok 2515 # ring membership passed
205: ok 2516 # correct SSSR count
205: ok 2517 # ring membership passed
205: ok 2518 # correct SSSR count
205: ok 2519 # ring membership passed
205: ok 2520 # correct SSSR count
205: ok 2521 # ring membership passed
205: ok 2522 # correct SSSR count
205: ok 2523 # ring membership passed
205: ok 2524 # correct SSSR count
205: ok 2525 # ring membership passed
205: ok 2526 # correct SSSR count
205: ok 2527 # ring membership passed
205: ok 2528 # correct SSSR count
205: ok 2529 # ring membership passed
205: ok 2530 # correct SSSR count
205: ok 2531 # ring membership passed
205: ok 2532 # correct SSSR count
205: ok 2533 # ring membership passed
205: ok 2534 # correct SSSR count
205: ok 2535 # ring membership passed
205: ok 2536 # correct SSSR count
205: ok 2537 # ring membership passed
205: ok 2538 # correct SSSR count
205: ok 2539 # ring membership passed
205: ok 2540 # correct SSSR count
205: ok 2541 # ring membership passed
205: ok 2542 # correct SSSR count
205: ok 2543 # ring membership passed
205: ok 2544 # correct SSSR count
205: ok 2545 # ring membership passed
205: ok 2546 # correct ring bond data
205: ok 2547 # correct ring bond data
205: ok 2548 # correct ring bond data
205: ok 2549 # correct ring bond data
205: ok 2550 # correct ring bond data
205: ok 2551 # correct ring bond data
205: ok 2552 # correct ring bond data
205: ok 2553 # correct ring bond data
205: ok 2554 # correct ring bond data
205: ok 2555 # correct ring bond data
205: ok 2556 # correct ring bond data
205: ok 2557 # correct ring bond data
205: ok 2558 # correct ring bond data
205: ok 2559 # correct ring bond data
205: ok 2560 # correct ring bond data
205: ok 2561 # SSSR size matches reference
205: ok 2562 # correct SSSR count
205: ok 2563 # ring membership passed
205: ok 2564 # correct SSSR count
205: ok 2565 # ring membership passed
205: ok 2566 # correct SSSR count
205: ok 2567 # ring membership passed
205: ok 2568 # correct SSSR count
205: ok 2569 # ring membership passed
205: ok 2570 # correct SSSR count
205: ok 2571 # ring membership passed
205: ok 2572 # correct SSSR count
205: ok 2573 # ring membership passed
205: ok 2574 # correct SSSR count
205: ok 2575 # ring membership passed
205: ok 2576 # correct SSSR count
205: ok 2577 # ring membership passed
205: ok 2578 # correct SSSR count
205: ok 2579 # ring membership passed
205: ok 2580 # correct SSSR count
205: ok 2581 # ring membership passed
205: ok 2582 # correct SSSR count
205: ok 2583 # ring membership passed
205: ok 2584 # correct SSSR count
205: ok 2585 # ring membership passed
205: ok 2586 # correct SSSR count
205: ok 2587 # ring membership passed
205: ok 2588 # correct SSSR count
205: ok 2589 # ring membership passed
205: ok 2590 # correct ring bond data
205: ok 2591 # correct ring bond data
205: ok 2592 # correct ring bond data
205: ok 2593 # correct ring bond data
205: ok 2594 # correct ring bond data
205: ok 2595 # correct ring bond data
205: ok 2596 # correct ring bond data
205: ok 2597 # correct ring bond data
205: ok 2598 # correct ring bond data
205: ok 2599 # correct ring bond data
205: ok 2600 # correct ring bond data
205: ok 2601 # correct ring bond data
205: ok 2602 # correct ring bond data
205: ok 2603 # correct ring bond data
205: ok 2604 # correct ring bond data
205: ok 2605 # correct ring bond data
205: ok 2606 # correct ring bond data
205: ok 2607 # correct ring bond data
205: ok 2608 # correct ring bond data
205: ok 2609 # correct ring bond data
205: ok 2610 # correct ring bond data
205: ok 2611 # correct ring bond data
205: ok 2612 # SSSR size matches reference
205: ok 2613 # correct SSSR count
205: ok 2614 # ring membership passed
205: ok 2615 # correct SSSR count
205: ok 2616 # ring membership passed
205: ok 2617 # correct SSSR count
205: ok 2618 # ring membership passed
205: ok 2619 # correct SSSR count
205: ok 2620 # ring membership passed
205: ok 2621 # correct SSSR count
205: ok 2622 # ring membership passed
205: ok 2623 # correct SSSR count
205: ok 2624 # ring membership passed
205: ok 2625 # correct SSSR count
205: ok 2626 # ring membership passed
205: ok 2627 # correct SSSR count
205: ok 2628 # ring membership passed
205: ok 2629 # correct SSSR count
205: ok 2630 # ring membership passed
205: ok 2631 # correct SSSR count
205: ok 2632 # ring membership passed
205: ok 2633 # correct SSSR count
205: ok 2634 # ring membership passed
205: ok 2635 # correct SSSR count
205: ok 2636 # ring membership passed
205: ok 2637 # correct SSSR count
205: ok 2638 # ring membership passed
205: ok 2639 # correct SSSR count
205: ok 2640 # ring membership passed
205: ok 2641 # correct SSSR count
205: ok 2642 # ring membership passed
205: ok 2643 # correct SSSR count
205: ok 2644 # ring membership passed
205: ok 2645 # correct SSSR count
205: ok 2646 # ring membership passed
205: ok 2647 # correct SSSR count
205: ok 2648 # ring membership passed
205: ok 2649 # correct SSSR count
205: ok 2650 # ring membership passed
205: ok 2651 # correct SSSR count
205: ok 2652 # ring membership passed
205: ok 2653 # correct ring bond data
205: ok 2654 # correct ring bond data
205: ok 2655 # correct ring bond data
205: ok 2656 # correct ring bond data
205: ok 2657 # correct ring bond data
205: ok 2658 # correct ring bond data
205: ok 2659 # correct ring bond data
205: ok 2660 # correct ring bond data
205: ok 2661 # correct ring bond data
205: ok 2662 # correct ring bond data
205: ok 2663 # correct ring bond data
205: ok 2664 # correct ring bond data
205: ok 2665 # correct ring bond data
205: ok 2666 # correct ring bond data
205: ok 2667 # correct ring bond data
205: ok 2668 # correct ring bond data
205: ok 2669 # correct ring bond data
205: ok 2670 # correct ring bond data
205: ok 2671 # correct ring bond data
205: ok 2672 # correct ring bond data
205: ok 2673 # correct ring bond data
205: ok 2674 # correct ring bond data
205: ok 2675 # SSSR size matches reference
205: ok 2676 # correct SSSR count
205: ok 2677 # ring membership passed
205: ok 2678 # correct SSSR count
205: ok 2679 # ring membership passed
205: ok 2680 # correct SSSR count
205: ok 2681 # ring membership passed
205: ok 2682 # correct SSSR count
205: ok 2683 # ring membership passed
205: ok 2684 # correct SSSR count
205: ok 2685 # ring membership passed
205: ok 2686 # correct SSSR count
205: ok 2687 # ring membership passed
205: ok 2688 # correct SSSR count
205: ok 2689 # ring membership passed
205: ok 2690 # correct SSSR count
205: ok 2691 # ring membership passed
205: ok 2692 # correct SSSR count
205: ok 2693 # ring membership passed
205: ok 2694 # correct SSSR count
205: ok 2695 # ring membership passed
205: ok 2696 # correct SSSR count
205: ok 2697 # ring membership passed
205: ok 2698 # correct SSSR count
205: ok 2699 # ring membership passed
205: ok 2700 # correct SSSR count
205: ok 2701 # ring membership passed
205: ok 2702 # correct SSSR count
205: ok 2703 # ring membership passed
205: ok 2704 # correct SSSR count
205: ok 2705 # ring membership passed
205: ok 2706 # correct SSSR count
205: ok 2707 # ring membership passed
205: ok 2708 # correct SSSR count
205: ok 2709 # ring membership passed
205: ok 2710 # correct SSSR count
205: ok 2711 # ring membership passed
205: ok 2712 # correct SSSR count
205: ok 2713 # ring membership passed
205: ok 2714 # correct SSSR count
205: ok 2715 # ring membership passed
205: ok 2716 # correct ring bond data
205: ok 2717 # correct ring bond data
205: ok 2718 # correct ring bond data
205: ok 2719 # correct ring bond data
205: ok 2720 # correct ring bond data
205: ok 2721 # correct ring bond data
205: ok 2722 # correct ring bond data
205: ok 2723 # correct ring bond data
205: ok 2724 # correct ring bond data
205: ok 2725 # correct ring bond data
205: ok 2726 # correct ring bond data
205: ok 2727 # correct ring bond data
205: ok 2728 # correct ring bond data
205: ok 2729 # correct ring bond data
205: ok 2730 # correct ring bond data
205: ok 2731 # correct ring bond data
205: ok 2732 # SSSR size matches reference
205: ok 2733 # correct SSSR count
205: ok 2734 # ring membership passed
205: ok 2735 # correct SSSR count
205: ok 2736 # ring membership passed
205: ok 2737 # correct SSSR count
205: ok 2738 # ring membership passed
205: ok 2739 # correct SSSR count
205: ok 2740 # ring membership passed
205: ok 2741 # correct SSSR count
205: ok 2742 # ring membership passed
205: ok 2743 # correct SSSR count
205: ok 2744 # ring membership passed
205: ok 2745 # correct SSSR count
205: ok 2746 # ring membership passed
205: ok 2747 # correct SSSR count
205: ok 2748 # ring membership passed
205: ok 2749 # correct SSSR count
205: ok 2750 # ring membership passed
205: ok 2751 # correct SSSR count
205: ok 2752 # ring membership passed
205: ok 2753 # correct SSSR count
205: ok 2754 # ring membership passed
205: ok 2755 # correct SSSR count
205: ok 2756 # ring membership passed
205: ok 2757 # correct SSSR count
205: ok 2758 # ring membership passed
205: ok 2759 # correct SSSR count
205: ok 2760 # ring membership passed
205: ok 2761 # correct SSSR count
205: ok 2762 # ring membership passed
205: ok 2763 # correct ring bond data
205: ok 2764 # correct ring bond data
205: ok 2765 # correct ring bond data
205: ok 2766 # correct ring bond data
205: ok 2767 # correct ring bond data
205: ok 2768 # correct ring bond data
205: ok 2769 # correct ring bond data
205: ok 2770 # correct ring bond data
205: ok 2771 # correct ring bond data
205: ok 2772 # correct ring bond data
205: ok 2773 # correct ring bond data
205: ok 2774 # correct ring bond data
205: ok 2775 # correct ring bond data
205: ok 2776 # correct ring bond data
205: ok 2777 # correct ring bond data
205: ok 2778 # correct ring bond data
205: ok 2779 # correct ring bond data
205: ok 2780 # correct ring bond data
205: ok 2781 # correct ring bond data
205: ok 2782 # correct ring bond data
205: ok 2783 # SSSR size matches reference
205: ok 2784 # correct SSSR count
205: ok 2785 # ring membership passed
205: ok 2786 # correct SSSR count
205: ok 2787 # ring membership passed
205: ok 2788 # correct SSSR count
205: ok 2789 # ring membership passed
205: ok 2790 # correct SSSR count
205: ok 2791 # ring membership passed
205: ok 2792 # correct SSSR count
205: ok 2793 # ring membership passed
205: ok 2794 # correct SSSR count
205: ok 2795 # ring membership passed
205: ok 2796 # correct SSSR count
205: ok 2797 # ring membership passed
205: ok 2798 # correct SSSR count
205: ok 2799 # ring membership passed
205: ok 2800 # correct SSSR count
205: ok 2801 # ring membership passed
205: ok 2802 # correct SSSR count
205: ok 2803 # ring membership passed
205: ok 2804 # correct SSSR count
205: ok 2805 # ring membership passed
205: ok 2806 # correct SSSR count
205: ok 2807 # ring membership passed
205: ok 2808 # correct SSSR count
205: ok 2809 # ring membership passed
205: ok 2810 # correct SSSR count
205: ok 2811 # ring membership passed
205: ok 2812 # correct SSSR count
205: ok 2813 # ring membership passed
205: ok 2814 # correct SSSR count
205: ok 2815 # ring membership passed
205: ok 2816 # correct SSSR count
205: ok 2817 # ring membership passed
205: ok 2818 # correct SSSR count
205: ok 2819 # ring membership passed
205: ok 2820 # correct SSSR count
205: ok 2821 # ring membership passed
205: ok 2822 # correct SSSR count
205: ok 2823 # ring membership passed
205: ok 2824 # correct ring bond data
205: ok 2825 # correct ring bond data
205: ok 2826 # correct ring bond data
205: ok 2827 # correct ring bond data
205: ok 2828 # correct ring bond data
205: ok 2829 # correct ring bond data
205: ok 2830 # correct ring bond data
205: ok 2831 # correct ring bond data
205: ok 2832 # correct ring bond data
205: ok 2833 # correct ring bond data
205: ok 2834 # correct ring bond data
205: ok 2835 # correct ring bond data
205: ok 2836 # correct ring bond data
205: ok 2837 # correct ring bond data
205: ok 2838 # correct ring bond data
205: ok 2839 # correct ring bond data
205: ok 2840 # correct ring bond data
205: ok 2841 # correct ring bond data
205: ok 2842 # correct ring bond data
205: ok 2843 # correct ring bond data
205: ok 2844 # correct ring bond data
205: ok 2845 # correct ring bond data
205: ok 2846 # correct ring bond data
205: ok 2847 # correct ring bond data
205: ok 2848 # SSSR size matches reference
205: ok 2849 # correct SSSR count
205: ok 2850 # ring membership passed
205: ok 2851 # correct SSSR count
205: ok 2852 # ring membership passed
205: ok 2853 # correct SSSR count
205: ok 2854 # ring membership passed
205: ok 2855 # correct SSSR count
205: ok 2856 # ring membership passed
205: ok 2857 # correct SSSR count
205: ok 2858 # ring membership passed
205: ok 2859 # correct SSSR count
205: ok 2860 # ring membership passed
205: ok 2861 # correct SSSR count
205: ok 2862 # ring membership passed
205: ok 2863 # correct SSSR count
205: ok 2864 # ring membership passed
205: ok 2865 # correct SSSR count
205: ok 2866 # ring membership passed
205: ok 2867 # correct SSSR count
205: ok 2868 # ring membership passed
205: ok 2869 # correct SSSR count
205: ok 2870 # ring membership passed
205: ok 2871 # correct SSSR count
205: ok 2872 # ring membership passed
205: ok 2873 # correct SSSR count
205: ok 2874 # ring membership passed
205: ok 2875 # correct SSSR count
205: ok 2876 # ring membership passed
205: ok 2877 # correct SSSR count
205: ok 2878 # ring membership passed
205: ok 2879 # correct SSSR count
205: ok 2880 # ring membership passed
205: ok 2881 # correct SSSR count
205: ok 2882 # ring membership passed
205: ok 2883 # correct SSSR count
205: ok 2884 # ring membership passed
205: ok 2885 # correct SSSR count
205: ok 2886 # ring membership passed
205: ok 2887 # correct SSSR count
205: ok 2888 # ring membership passed
205: ok 2889 # correct SSSR count
205: ok 2890 # ring membership passed
205: ok 2891 # correct ring bond data
205: ok 2892 # correct ring bond data
205: ok 2893 # correct ring bond data
205: ok 2894 # correct ring bond data
205: ok 2895 # correct ring bond data
205: ok 2896 # correct ring bond data
205: ok 2897 # correct ring bond data
205: ok 2898 # correct ring bond data
205: ok 2899 # correct ring bond data
205: ok 2900 # correct ring bond data
205: ok 2901 # correct ring bond data
205: ok 2902 # correct ring bond data
205: ok 2903 # correct ring bond data
205: ok 2904 # correct ring bond data
205: ok 2905 # correct ring bond data
205: ok 2906 # correct ring bond data
205: ok 2907 # correct ring bond data
205: ok 2908 # correct ring bond data
205: ok 2909 # correct ring bond data
205: ok 2910 # correct ring bond data
205: ok 2911 # correct ring bond data
205: ok 2912 # correct ring bond data
205: ok 2913 # correct ring bond data
205: ok 2914 # correct ring bond data
205: ok 2915 # correct ring bond data
205: ok 2916 # correct ring bond data
205: ok 2917 # correct ring bond data
205: ok 2918 # correct ring bond data
205: ok 2919 # correct ring bond data
205: ok 2920 # correct ring bond data
205: ok 2921 # correct ring bond data
205: ok 2922 # SSSR size matches reference
205: ok 2923 # correct SSSR count
205: ok 2924 # ring membership passed
205: ok 2925 # correct SSSR count
205: ok 2926 # ring membership passed
205: ok 2927 # correct SSSR count
205: ok 2928 # ring membership passed
205: ok 2929 # correct SSSR count
205: ok 2930 # ring membership passed
205: ok 2931 # correct SSSR count
205: ok 2932 # ring membership passed
205: ok 2933 # correct SSSR count
205: ok 2934 # ring membership passed
205: ok 2935 # correct SSSR count
205: ok 2936 # ring membership passed
205: ok 2937 # correct SSSR count
205: ok 2938 # ring membership passed
205: ok 2939 # correct SSSR count
205: ok 2940 # ring membership passed
205: ok 2941 # correct SSSR count
205: ok 2942 # ring membership passed
205: ok 2943 # correct SSSR count
205: ok 2944 # ring membership passed
205: ok 2945 # correct SSSR count
205: ok 2946 # ring membership passed
205: ok 2947 # correct SSSR count
205: ok 2948 # ring membership passed
205: ok 2949 # correct SSSR count
205: ok 2950 # ring membership passed
205: ok 2951 # correct SSSR count
205: ok 2952 # ring membership passed
205: ok 2953 # correct SSSR count
205: ok 2954 # ring membership passed
205: ok 2955 # correct SSSR count
205: ok 2956 # ring membership passed
205: ok 2957 # correct SSSR count
205: ok 2958 # ring membership passed
205: ok 2959 # correct SSSR count
205: ok 2960 # ring membership passed
205: ok 2961 # correct SSSR count
205: ok 2962 # ring membership passed
205: ok 2963 # correct SSSR count
205: ok 2964 # ring membership passed
205: ok 2965 # correct SSSR count
205: ok 2966 # ring membership passed
205: ok 2967 # correct SSSR count
205: ok 2968 # ring membership passed
205: ok 2969 # correct SSSR count
205: ok 2970 # ring membership passed
205: ok 2971 # correct SSSR count
205: ok 2972 # ring membership passed
205: ok 2973 # correct SSSR count
205: ok 2974 # ring membership passed
205: ok 2975 # correct SSSR count
205: ok 2976 # ring membership passed
205: ok 2977 # correct ring bond data
205: ok 2978 # correct ring bond data
205: ok 2979 # correct ring bond data
205: ok 2980 # correct ring bond data
205: ok 2981 # correct ring bond data
205: ok 2982 # correct ring bond data
205: ok 2983 # correct ring bond data
205: ok 2984 # correct ring bond data
205: ok 2985 # correct ring bond data
205: ok 2986 # correct ring bond data
205: ok 2987 # correct ring bond data
205: ok 2988 # correct ring bond data
205: ok 2989 # correct ring bond data
205: ok 2990 # correct ring bond data
205: ok 2991 # correct ring bond data
205: ok 2992 # SSSR size matches reference
205: ok 2993 # correct SSSR count
205: ok 2994 # ring membership passed
205: ok 2995 # correct SSSR count
205: ok 2996 # ring membership passed
205: ok 2997 # correct SSSR count
205: ok 2998 # ring membership passed
205: ok 2999 # correct SSSR count
205: ok 3000 # ring membership passed
205: ok 3001 # correct SSSR count
205: ok 3002 # ring membership passed
205: ok 3003 # correct SSSR count
205: ok 3004 # ring membership passed
205: ok 3005 # correct SSSR count
205: ok 3006 # ring membership passed
205: ok 3007 # correct SSSR count
205: ok 3008 # ring membership passed
205: ok 3009 # correct SSSR count
205: ok 3010 # ring membership passed
205: ok 3011 # correct SSSR count
205: ok 3012 # ring membership passed
205: ok 3013 # correct SSSR count
205: ok 3014 # ring membership passed
205: ok 3015 # correct SSSR count
205: ok 3016 # ring membership passed
205: ok 3017 # correct SSSR count
205: ok 3018 # ring membership passed
205: ok 3019 # correct SSSR count
205: ok 3020 # ring membership passed
205: ok 3021 # correct ring bond data
205: ok 3022 # correct ring bond data
205: ok 3023 # correct ring bond data
205: ok 3024 # correct ring bond data
205: ok 3025 # correct ring bond data
205: ok 3026 # correct ring bond data
205: ok 3027 # correct ring bond data
205: ok 3028 # correct ring bond data
205: ok 3029 # correct ring bond data
205: ok 3030 # correct ring bond data
205: ok 3031 # correct ring bond data
205: ok 3032 # correct ring bond data
205: ok 3033 # correct ring bond data
205: ok 3034 # correct ring bond data
205: ok 3035 # correct ring bond data
205: ok 3036 # correct ring bond data
205: ok 3037 # correct ring bond data
205: ok 3038 # correct ring bond data
205: ok 3039 # correct ring bond data
205: ok 3040 # correct ring bond data
205: ok 3041 # SSSR size matches reference
205: ok 3042 # correct SSSR count
205: ok 3043 # ring membership passed
205: ok 3044 # correct SSSR count
205: ok 3045 # ring membership passed
205: ok 3046 # correct SSSR count
205: ok 3047 # ring membership passed
205: ok 3048 # correct SSSR count
205: ok 3049 # ring membership passed
205: ok 3050 # correct SSSR count
205: ok 3051 # ring membership passed
205: ok 3052 # correct SSSR count
205: ok 3053 # ring membership passed
205: ok 3054 # correct SSSR count
205: ok 3055 # ring membership passed
205: ok 3056 # correct SSSR count
205: ok 3057 # ring membership passed
205: ok 3058 # correct SSSR count
205: ok 3059 # ring membership passed
205: ok 3060 # correct SSSR count
205: ok 3061 # ring membership passed
205: ok 3062 # correct SSSR count
205: ok 3063 # ring membership passed
205: ok 3064 # correct SSSR count
205: ok 3065 # ring membership passed
205: ok 3066 # correct SSSR count
205: ok 3067 # ring membership passed
205: ok 3068 # correct SSSR count
205: ok 3069 # ring membership passed
205: ok 3070 # correct SSSR count
205: ok 3071 # ring membership passed
205: ok 3072 # correct SSSR count
205: ok 3073 # ring membership passed
205: ok 3074 # correct SSSR count
205: ok 3075 # ring membership passed
205: ok 3076 # correct SSSR count
205: ok 3077 # ring membership passed
205: ok 3078 # correct SSSR count
205: ok 3079 # ring membership passed
205: ok 3080 # correct ring bond data
205: ok 3081 # correct ring bond data
205: ok 3082 # correct ring bond data
205: ok 3083 # correct ring bond data
205: ok 3084 # correct ring bond data
205: ok 3085 # correct ring bond data
205: ok 3086 # correct ring bond data
205: ok 3087 # correct ring bond data
205: ok 3088 # correct ring bond data
205: ok 3089 # correct ring bond data
205: ok 3090 # correct ring bond data
205: ok 3091 # correct ring bond data
205: ok 3092 # correct ring bond data
205: ok 3093 # correct ring bond data
205: ok 3094 # correct ring bond data
205: ok 3095 # correct ring bond data
205: ok 3096 # correct ring bond data
205: ok 3097 # correct ring bond data
205: ok 3098 # correct ring bond data
205: ok 3099 # correct ring bond data
205: ok 3100 # correct ring bond data
205: ok 3101 # SSSR size matches reference
205: ok 3102 # correct SSSR count
205: ok 3103 # ring membership passed
205: ok 3104 # correct SSSR count
205: ok 3105 # ring membership passed
205: ok 3106 # correct SSSR count
205: ok 3107 # ring membership passed
205: ok 3108 # correct SSSR count
205: ok 3109 # ring membership passed
205: ok 3110 # correct SSSR count
205: ok 3111 # ring membership passed
205: ok 3112 # correct SSSR count
205: ok 3113 # ring membership passed
205: ok 3114 # correct SSSR count
205: ok 3115 # ring membership passed
205: ok 3116 # correct SSSR count
205: ok 3117 # ring membership passed
205: ok 3118 # correct SSSR count
205: ok 3119 # ring membership passed
205: ok 3120 # correct SSSR count
205: ok 3121 # ring membership passed
205: ok 3122 # correct SSSR count
205: ok 3123 # ring membership passed
205: ok 3124 # correct SSSR count
205: ok 3125 # ring membership passed
205: ok 3126 # correct SSSR count
205: ok 3127 # ring membership passed
205: ok 3128 # correct SSSR count
205: ok 3129 # ring membership passed
205: ok 3130 # correct SSSR count
205: ok 3131 # ring membership passed
205: ok 3132 # correct SSSR count
205: ok 3133 # ring membership passed
205: ok 3134 # correct SSSR count
205: ok 3135 # ring membership passed
205: ok 3136 # correct SSSR count
205: ok 3137 # ring membership passed
205: ok 3138 # correct SSSR count
205: ok 3139 # ring membership passed
205: ok 3140 # correct SSSR count
205: ok 3141 # ring membership passed
205: ok 3142 # correct ring bond data
205: ok 3143 # correct ring bond data
205: ok 3144 # correct ring bond data
205: ok 3145 # correct ring bond data
205: ok 3146 # correct ring bond data
205: ok 3147 # correct ring bond data
205: ok 3148 # correct ring bond data
205: ok 3149 # correct ring bond data
205: ok 3150 # correct ring bond data
205: ok 3151 # correct ring bond data
205: ok 3152 # correct ring bond data
205: ok 3153 # correct ring bond data
205: ok 3154 # correct ring bond data
205: ok 3155 # correct ring bond data
205: ok 3156 # correct ring bond data
205: ok 3157 # correct ring bond data
205: ok 3158 # correct ring bond data
205: ok 3159 # correct ring bond data
205: ok 3160 # correct ring bond data
205: ok 3161 # correct ring bond data
205: ok 3162 # correct ring bond data
205: ok 3163 # correct ring bond data
205: ok 3164 # SSSR size matches reference
205: ok 3165 # correct SSSR count
205: ok 3166 # ring membership passed
205: ok 3167 # correct SSSR count
205: ok 3168 # ring membership passed
205: ok 3169 # correct SSSR count
205: ok 3170 # ring membership passed
205: ok 3171 # correct SSSR count
205: ok 3172 # ring membership passed
205: ok 3173 # correct SSSR count
205: ok 3174 # ring membership passed
205: ok 3175 # correct SSSR count
205: ok 3176 # ring membership passed
205: ok 3177 # correct SSSR count
205: ok 3178 # ring membership passed
205: ok 3179 # correct SSSR count
205: ok 3180 # ring membership passed
205: ok 3181 # correct SSSR count
205: ok 3182 # ring membership passed
205: ok 3183 # correct SSSR count
205: ok 3184 # ring membership passed
205: ok 3185 # correct SSSR count
205: ok 3186 # ring membership passed
205: ok 3187 # correct SSSR count
205: ok 3188 # ring membership passed
205: ok 3189 # correct SSSR count
205: ok 3190 # ring membership passed
205: ok 3191 # correct SSSR count
205: ok 3192 # ring membership passed
205: ok 3193 # correct SSSR count
205: ok 3194 # ring membership passed
205: ok 3195 # correct SSSR count
205: ok 3196 # ring membership passed
205: ok 3197 # correct SSSR count
205: ok 3198 # ring membership passed
205: ok 3199 # correct SSSR count
205: ok 3200 # ring membership passed
205: ok 3201 # correct SSSR count
205: ok 3202 # ring membership passed
205: ok 3203 # correct SSSR count
205: ok 3204 # ring membership passed
205: ok 3205 # correct SSSR count
205: ok 3206 # ring membership passed
205: ok 3207 # correct SSSR count
205: ok 3208 # ring membership passed
205: ok 3209 # correct ring bond data
205: ok 3210 # correct ring bond data
205: ok 3211 # correct ring bond data
205: ok 3212 # correct ring bond data
205: ok 3213 # correct ring bond data
205: ok 3214 # correct ring bond data
205: ok 3215 # correct ring bond data
205: ok 3216 # correct ring bond data
205: ok 3217 # correct ring bond data
205: ok 3218 # correct ring bond data
205: ok 3219 # correct ring bond data
205: ok 3220 # correct ring bond data
205: ok 3221 # correct ring bond data
205: ok 3222 # correct ring bond data
205: ok 3223 # correct ring bond data
205: ok 3224 # correct ring bond data
205: ok 3225 # correct ring bond data
205: ok 3226 # correct ring bond data
205: ok 3227 # correct ring bond data
205: ok 3228 # correct ring bond data
205: ok 3229 # SSSR size matches reference
205: ok 3230 # correct SSSR count
205: ok 3231 # ring membership passed
205: ok 3232 # correct SSSR count
205: ok 3233 # ring membership passed
205: ok 3234 # correct SSSR count
205: ok 3235 # ring membership passed
205: ok 3236 # correct SSSR count
205: ok 3237 # ring membership passed
205: ok 3238 # correct SSSR count
205: ok 3239 # ring membership passed
205: ok 3240 # correct SSSR count
205: ok 3241 # ring membership passed
205: ok 3242 # correct SSSR count
205: ok 3243 # ring membership passed
205: ok 3244 # correct SSSR count
205: ok 3245 # ring membership passed
205: ok 3246 # correct SSSR count
205: ok 3247 # ring membership passed
205: ok 3248 # correct SSSR count
205: ok 3249 # ring membership passed
205: ok 3250 # correct SSSR count
205: ok 3251 # ring membership passed
205: ok 3252 # correct SSSR count
205: ok 3253 # ring membership passed
205: ok 3254 # correct SSSR count
205: ok 3255 # ring membership passed
205: ok 3256 # correct SSSR count
205: ok 3257 # ring membership passed
205: ok 3258 # correct SSSR count
205: ok 3259 # ring membership passed
205: ok 3260 # correct SSSR count
205: ok 3261 # ring membership passed
205: ok 3262 # correct SSSR count
205: ok 3263 # ring membership passed
205: ok 3264 # correct SSSR count
205: ok 3265 # ring membership passed
205: ok 3266 # correct SSSR count
205: ok 3267 # ring membership passed
205: ok 3268 # correct ring bond data
205: ok 3269 # correct ring bond data
205: ok 3270 # correct ring bond data
205: ok 3271 # correct ring bond data
205: ok 3272 # correct ring bond data
205: ok 3273 # correct ring bond data
205: ok 3274 # correct ring bond data
205: ok 3275 # correct ring bond data
205: ok 3276 # correct ring bond data
205: ok 3277 # correct ring bond data
205: ok 3278 # correct ring bond data
205: ok 3279 # correct ring bond data
205: ok 3280 # correct ring bond data
205: ok 3281 # correct ring bond data
205: ok 3282 # correct ring bond data
205: ok 3283 # correct ring bond data
205: ok 3284 # correct ring bond data
205: ok 3285 # correct ring bond data
205: ok 3286 # correct ring bond data
205: ok 3287 # correct ring bond data
205: ok 3288 # correct ring bond data
205: ok 3289 # correct ring bond data
205: ok 3290 # SSSR size matches reference
205: ok 3291 # correct SSSR count
205: ok 3292 # ring membership passed
205: ok 3293 # correct SSSR count
205: ok 3294 # ring membership passed
205: ok 3295 # correct SSSR count
205: ok 3296 # ring membership passed
205: ok 3297 # correct SSSR count
205: ok 3298 # ring membership passed
205: ok 3299 # correct SSSR count
205: ok 3300 # ring membership passed
205: ok 3301 # correct SSSR count
205: ok 3302 # ring membership passed
205: ok 3303 # correct SSSR count
205: ok 3304 # ring membership passed
205: ok 3305 # correct SSSR count
205: ok 3306 # ring membership passed
205: ok 3307 # correct SSSR count
205: ok 3308 # ring membership passed
205: ok 3309 # correct SSSR count
205: ok 3310 # ring membership passed
205: ok 3311 # correct SSSR count
205: ok 3312 # ring membership passed
205: ok 3313 # correct SSSR count
205: ok 3314 # ring membership passed
205: ok 3315 # correct SSSR count
205: ok 3316 # ring membership passed
205: ok 3317 # correct SSSR count
205: ok 3318 # ring membership passed
205: ok 3319 # correct SSSR count
205: ok 3320 # ring membership passed
205: ok 3321 # correct SSSR count
205: ok 3322 # ring membership passed
205: ok 3323 # correct SSSR count
205: ok 3324 # ring membership passed
205: ok 3325 # correct SSSR count
205: ok 3326 # ring membership passed
205: ok 3327 # correct SSSR count
205: ok 3328 # ring membership passed
205: ok 3329 # correct SSSR count
205: ok 3330 # ring membership passed
205: ok 3331 # correct SSSR count
205: ok 3332 # ring membership passed
205: ok 3333 # correct ring bond data
205: ok 3334 # correct ring bond data
205: ok 3335 # correct ring bond data
205: ok 3336 # correct ring bond data
205: ok 3337 # correct ring bond data
205: ok 3338 # correct ring bond data
205: ok 3339 # correct ring bond data
205: ok 3340 # correct ring bond data
205: ok 3341 # correct ring bond data
205: ok 3342 # correct ring bond data
205: ok 3343 # correct ring bond data
205: ok 3344 # correct ring bond data
205: ok 3345 # correct ring bond data
205: ok 3346 # correct ring bond data
205: ok 3347 # correct ring bond data
205: ok 3348 # correct ring bond data
205: ok 3349 # correct ring bond data
205: ok 3350 # correct ring bond data
205: ok 3351 # correct ring bond data
205: ok 3352 # correct ring bond data
205: ok 3353 # correct ring bond data
205: ok 3354 # SSSR size matches reference
205: ok 3355 # correct SSSR count
205: ok 3356 # ring membership passed
205: ok 3357 # correct SSSR count
205: ok 3358 # ring membership passed
205: ok 3359 # correct SSSR count
205: ok 3360 # ring membership passed
205: ok 3361 # correct SSSR count
205: ok 3362 # ring membership passed
205: ok 3363 # correct SSSR count
205: ok 3364 # ring membership passed
205: ok 3365 # correct SSSR count
205: ok 3366 # ring membership passed
205: ok 3367 # correct SSSR count
205: ok 3368 # ring membership passed
205: ok 3369 # correct SSSR count
205: ok 3370 # ring membership passed
205: ok 3371 # correct SSSR count
205: ok 3372 # ring membership passed
205: ok 3373 # correct SSSR count
205: ok 3374 # ring membership passed
205: ok 3375 # correct SSSR count
205: ok 3376 # ring membership passed
205: ok 3377 # correct SSSR count
205: ok 3378 # ring membership passed
205: ok 3379 # correct SSSR count
205: ok 3380 # ring membership passed
205: ok 3381 # correct SSSR count
205: ok 3382 # ring membership passed
205: ok 3383 # correct SSSR count
205: ok 3384 # ring membership passed
205: ok 3385 # correct SSSR count
205: ok 3386 # ring membership passed
205: ok 3387 # correct SSSR count
205: ok 3388 # ring membership passed
205: ok 3389 # correct SSSR count
205: ok 3390 # ring membership passed
205: ok 3391 # correct SSSR count
205: ok 3392 # ring membership passed
205: ok 3393 # correct SSSR count
205: ok 3394 # ring membership passed
205: ok 3395 # correct ring bond data
205: ok 3396 # correct ring bond data
205: ok 3397 # correct ring bond data
205: ok 3398 # correct ring bond data
205: ok 3399 # correct ring bond data
205: ok 3400 # correct ring bond data
205: ok 3401 # correct ring bond data
205: ok 3402 # correct ring bond data
205: ok 3403 # correct ring bond data
205: ok 3404 # correct ring bond data
205: ok 3405 # correct ring bond data
205: ok 3406 # correct ring bond data
205: ok 3407 # correct ring bond data
205: ok 3408 # correct ring bond data
205: ok 3409 # correct ring bond data
205: ok 3410 # correct ring bond data
205: ok 3411 # correct ring bond data
205: ok 3412 # correct ring bond data
205: ok 3413 # correct ring bond data
205: ok 3414 # correct ring bond data
205: ok 3415 # SSSR size matches reference
205: ok 3416 # correct SSSR count
205: ok 3417 # ring membership passed
205: ok 3418 # correct SSSR count
205: ok 3419 # ring membership passed
205: ok 3420 # correct SSSR count
205: ok 3421 # ring membership passed
205: ok 3422 # correct SSSR count
205: ok 3423 # ring membership passed
205: ok 3424 # correct SSSR count
205: ok 3425 # ring membership passed
205: ok 3426 # correct SSSR count
205: ok 3427 # ring membership passed
205: ok 3428 # correct SSSR count
205: ok 3429 # ring membership passed
205: ok 3430 # correct SSSR count
205: ok 3431 # ring membership passed
205: ok 3432 # correct SSSR count
205: ok 3433 # ring membership passed
205: ok 3434 # correct SSSR count
205: ok 3435 # ring membership passed
205: ok 3436 # correct SSSR count
205: ok 3437 # ring membership passed
205: ok 3438 # correct SSSR count
205: ok 3439 # ring membership passed
205: ok 3440 # correct SSSR count
205: ok 3441 # ring membership passed
205: ok 3442 # correct SSSR count
205: ok 3443 # ring membership passed
205: ok 3444 # correct SSSR count
205: ok 3445 # ring membership passed
205: ok 3446 # correct SSSR count
205: ok 3447 # ring membership passed
205: ok 3448 # correct SSSR count
205: ok 3449 # ring membership passed
205: ok 3450 # correct SSSR count
205: ok 3451 # ring membership passed
205: ok 3452 # correct SSSR count
205: ok 3453 # ring membership passed
205: ok 3454 # correct SSSR count
205: ok 3455 # ring membership passed
205: ok 3456 # correct ring bond data
205: ok 3457 # correct ring bond data
205: ok 3458 # correct ring bond data
205: ok 3459 # correct ring bond data
205: ok 3460 # correct ring bond data
205: ok 3461 # correct ring bond data
205: ok 3462 # correct ring bond data
205: ok 3463 # correct ring bond data
205: ok 3464 # correct ring bond data
205: ok 3465 # correct ring bond data
205: ok 3466 # correct ring bond data
205: ok 3467 # correct ring bond data
205: ok 3468 # correct ring bond data
205: ok 3469 # correct ring bond data
205: ok 3470 # correct ring bond data
205: ok 3471 # correct ring bond data
205: ok 3472 # correct ring bond data
205: ok 3473 # correct ring bond data
205: ok 3474 # correct ring bond data
205: ok 3475 # correct ring bond data
205: ok 3476 # correct ring bond data
205: ok 3477 # correct ring bond data
205: ok 3478 # SSSR size matches reference
205: ok 3479 # correct SSSR count
205: ok 3480 # ring membership passed
205: ok 3481 # correct SSSR count
205: ok 3482 # ring membership passed
205: ok 3483 # correct SSSR count
205: ok 3484 # ring membership passed
205: ok 3485 # correct SSSR count
205: ok 3486 # ring membership passed
205: ok 3487 # correct SSSR count
205: ok 3488 # ring membership passed
205: ok 3489 # correct SSSR count
205: ok 3490 # ring membership passed
205: ok 3491 # correct SSSR count
205: ok 3492 # ring membership passed
205: ok 3493 # correct SSSR count
205: ok 3494 # ring membership passed
205: ok 3495 # correct SSSR count
205: ok 3496 # ring membership passed
205: ok 3497 # correct SSSR count
205: ok 3498 # ring membership passed
205: ok 3499 # correct SSSR count
205: ok 3500 # ring membership passed
205: ok 3501 # correct SSSR count
205: ok 3502 # ring membership passed
205: ok 3503 # correct SSSR count
205: ok 3504 # ring membership passed
205: ok 3505 # correct SSSR count
205: ok 3506 # ring membership passed
205: ok 3507 # correct SSSR count
205: ok 3508 # ring membership passed
205: ok 3509 # correct SSSR count
205: ok 3510 # ring membership passed
205: ok 3511 # correct SSSR count
205: ok 3512 # ring membership passed
205: ok 3513 # correct SSSR count
205: ok 3514 # ring membership passed
205: ok 3515 # correct SSSR count
205: ok 3516 # ring membership passed
205: ok 3517 # correct SSSR count
205: ok 3518 # ring membership passed
205: ok 3519 # correct SSSR count
205: ok 3520 # ring membership passed
205: ok 3521 # correct ring bond data
205: ok 3522 # correct ring bond data
205: ok 3523 # correct ring bond data
205: ok 3524 # correct ring bond data
205: ok 3525 # correct ring bond data
205: ok 3526 # correct ring bond data
205: ok 3527 # correct ring bond data
205: ok 3528 # correct ring bond data
205: ok 3529 # correct ring bond data
205: ok 3530 # correct ring bond data
205: ok 3531 # correct ring bond data
205: ok 3532 # correct ring bond data
205: ok 3533 # correct ring bond data
205: ok 3534 # correct ring bond data
205: ok 3535 # correct ring bond data
205: ok 3536 # correct ring bond data
205: ok 3537 # correct ring bond data
205: ok 3538 # correct ring bond data
205: ok 3539 # correct ring bond data
205: ok 3540 # correct ring bond data
205: ok 3541 # correct ring bond data
205: ok 3542 # correct ring bond data
205: ok 3543 # correct ring bond data
205: ok 3544 # correct ring bond data
205: ok 3545 # correct ring bond data
205: ok 3546 # correct ring bond data
205: ok 3547 # correct ring bond data
205: ok 3548 # SSSR size matches reference
205: ok 3549 # correct SSSR count
205: ok 3550 # ring membership passed
205: ok 3551 # correct SSSR count
205: ok 3552 # ring membership passed
205: ok 3553 # correct SSSR count
205: ok 3554 # ring membership passed
205: ok 3555 # correct SSSR count
205: ok 3556 # ring membership passed
205: ok 3557 # correct SSSR count
205: ok 3558 # ring membership passed
205: ok 3559 # correct SSSR count
205: ok 3560 # ring membership passed
205: ok 3561 # correct SSSR count
205: ok 3562 # ring membership passed
205: ok 3563 # correct SSSR count
205: ok 3564 # ring membership passed
205: ok 3565 # correct SSSR count
205: ok 3566 # ring membership passed
205: ok 3567 # correct SSSR count
205: ok 3568 # ring membership passed
205: ok 3569 # correct SSSR count
205: ok 3570 # ring membership passed
205: ok 3571 # correct SSSR count
205: ok 3572 # ring membership passed
205: ok 3573 # correct SSSR count
205: ok 3574 # ring membership passed
205: ok 3575 # correct SSSR count
205: ok 3576 # ring membership passed
205: ok 3577 # correct SSSR count
205: ok 3578 # ring membership passed
205: ok 3579 # correct SSSR count
205: ok 3580 # ring membership passed
205: ok 3581 # correct SSSR count
205: ok 3582 # ring membership passed
205: ok 3583 # correct SSSR count
205: ok 3584 # ring membership passed
205: ok 3585 # correct SSSR count
205: ok 3586 # ring membership passed
205: ok 3587 # correct SSSR count
205: ok 3588 # ring membership passed
205: ok 3589 # correct SSSR count
205: ok 3590 # ring membership passed
205: ok 3591 # correct SSSR count
205: ok 3592 # ring membership passed
205: ok 3593 # correct SSSR count
205: ok 3594 # ring membership passed
205: ok 3595 # correct SSSR count
205: ok 3596 # ring membership passed
205: ok 3597 # correct SSSR count
205: ok 3598 # ring membership passed
205: ok 3599 # correct ring bond data
205: ok 3600 # correct ring bond data
205: ok 3601 # correct ring bond data
205: ok 3602 # correct ring bond data
205: ok 3603 # correct ring bond data
205: ok 3604 # correct ring bond data
205: ok 3605 # correct ring bond data
205: ok 3606 # correct ring bond data
205: ok 3607 # correct ring bond data
205: ok 3608 # correct ring bond data
205: ok 3609 # correct ring bond data
205: ok 3610 # correct ring bond data
205: ok 3611 # correct ring bond data
205: ok 3612 # correct ring bond data
205: ok 3613 # SSSR size matches reference
205: ok 3614 # correct SSSR count
205: ok 3615 # ring membership passed
205: ok 3616 # correct SSSR count
205: ok 3617 # ring membership passed
205: ok 3618 # correct SSSR count
205: ok 3619 # ring membership passed
205: ok 3620 # correct SSSR count
205: ok 3621 # ring membership passed
205: ok 3622 # correct SSSR count
205: ok 3623 # ring membership passed
205: ok 3624 # correct SSSR count
205: ok 3625 # ring membership passed
205: ok 3626 # correct SSSR count
205: ok 3627 # ring membership passed
205: ok 3628 # correct SSSR count
205: ok 3629 # ring membership passed
205: ok 3630 # correct SSSR count
205: ok 3631 # ring membership passed
205: ok 3632 # correct SSSR count
205: ok 3633 # ring membership passed
205: ok 3634 # correct SSSR count
205: ok 3635 # ring membership passed
205: ok 3636 # correct SSSR count
205: ok 3637 # ring membership passed
205: ok 3638 # correct SSSR count
205: ok 3639 # ring membership passed
205: ok 3640 # correct SSSR count
205: ok 3641 # ring membership passed
205: ok 3642 # correct ring bond data
205: ok 3643 # correct ring bond data
205: ok 3644 # correct ring bond data
205: ok 3645 # correct ring bond data
205: ok 3646 # correct ring bond data
205: ok 3647 # correct ring bond data
205: ok 3648 # correct ring bond data
205: ok 3649 # correct ring bond data
205: ok 3650 # correct ring bond data
205: ok 3651 # correct ring bond data
205: ok 3652 # correct ring bond data
205: ok 3653 # correct ring bond data
205: ok 3654 # correct ring bond data
205: ok 3655 # correct ring bond data
205: ok 3656 # correct ring bond data
205: ok 3657 # correct ring bond data
205: ok 3658 # correct ring bond data
205: ok 3659 # correct ring bond data
205: ok 3660 # correct ring bond data
205: ok 3661 # correct ring bond data
205: ok 3662 # correct ring bond data
205: ok 3663 # correct ring bond data
205: ok 3664 # SSSR size matches reference
205: ok 3665 # correct SSSR count
205: ok 3666 # ring membership passed
205: ok 3667 # correct SSSR count
205: ok 3668 # ring membership passed
205: ok 3669 # correct SSSR count
205: ok 3670 # ring membership passed
205: ok 3671 # correct SSSR count
205: ok 3672 # ring membership passed
205: ok 3673 # correct SSSR count
205: ok 3674 # ring membership passed
205: ok 3675 # correct SSSR count
205: ok 3676 # ring membership passed
205: ok 3677 # correct SSSR count
205: ok 3678 # ring membership passed
205: ok 3679 # correct SSSR count
205: ok 3680 # ring membership passed
205: ok 3681 # correct SSSR count
205: ok 3682 # ring membership passed
205: ok 3683 # correct SSSR count
205: ok 3684 # ring membership passed
205: ok 3685 # correct SSSR count
205: ok 3686 # ring membership passed
205: ok 3687 # correct SSSR count
205: ok 3688 # ring membership passed
205: ok 3689 # correct SSSR count
205: ok 3690 # ring membership passed
205: ok 3691 # correct SSSR count
205: ok 3692 # ring membership passed
205: ok 3693 # correct SSSR count
205: ok 3694 # ring membership passed
205: ok 3695 # correct SSSR count
205: ok 3696 # ring membership passed
205: ok 3697 # correct SSSR count
205: ok 3698 # ring membership passed
205: ok 3699 # correct SSSR count
205: ok 3700 # ring membership passed
205: ok 3701 # correct SSSR count
205: ok 3702 # ring membership passed
205: ok 3703 # correct SSSR count
205: ok 3704 # ring membership passed
205: ok 3705 # correct SSSR count
205: ok 3706 # ring membership passed
205: ok 3707 # correct SSSR count
205: ok 3708 # ring membership passed
205: ok 3709 # correct ring bond data
205: ok 3710 # correct ring bond data
205: ok 3711 # correct ring bond data
205: ok 3712 # correct ring bond data
205: ok 3713 # correct ring bond data
205: ok 3714 # correct ring bond data
205: ok 3715 # correct ring bond data
205: ok 3716 # correct ring bond data
205: ok 3717 # correct ring bond data
205: ok 3718 # correct ring bond data
205: ok 3719 # correct ring bond data
205: ok 3720 # correct ring bond data
205: ok 3721 # correct ring bond data
205: ok 3722 # SSSR size matches reference
205: ok 3723 # correct SSSR count
205: ok 3724 # ring membership passed
205: ok 3725 # correct SSSR count
205: ok 3726 # ring membership passed
205: ok 3727 # correct SSSR count
205: ok 3728 # ring membership passed
205: ok 3729 # correct SSSR count
205: ok 3730 # ring membership passed
205: ok 3731 # correct SSSR count
205: ok 3732 # ring membership passed
205: ok 3733 # correct SSSR count
205: ok 3734 # ring membership passed
205: ok 3735 # correct SSSR count
205: ok 3736 # ring membership passed
205: ok 3737 # correct SSSR count
205: ok 3738 # ring membership passed
205: ok 3739 # correct SSSR count
205: ok 3740 # ring membership passed
205: ok 3741 # correct SSSR count
205: ok 3742 # ring membership passed
205: ok 3743 # correct SSSR count
205: ok 3744 # ring membership passed
205: ok 3745 # correct SSSR count
205: ok 3746 # ring membership passed
205: ok 3747 # correct SSSR count
205: ok 3748 # ring membership passed
205: ok 3749 # correct SSSR count
205: ok 3750 # ring membership passed
205: ok 3751 # correct ring bond data
205: ok 3752 # correct ring bond data
205: ok 3753 # correct ring bond data
205: ok 3754 # correct ring bond data
205: ok 3755 # correct ring bond data
205: ok 3756 # correct ring bond data
205: ok 3757 # correct ring bond data
205: ok 3758 # correct ring bond data
205: ok 3759 # correct ring bond data
205: ok 3760 # correct ring bond data
205: ok 3761 # correct ring bond data
205: ok 3762 # correct ring bond data
205: ok 3763 # correct ring bond data
205: ok 3764 # correct ring bond data
205: ok 3765 # correct ring bond data
205: ok 3766 # correct ring bond data
205: ok 3767 # correct ring bond data
205: ok 3768 # correct ring bond data
205: ok 3769 # correct ring bond data
205: ok 3770 # correct ring bond data
205: ok 3771 # correct ring bond data
205: ok 3772 # correct ring bond data
205: ok 3773 # correct ring bond data
205: ok 3774 # correct ring bond data
205: ok 3775 # correct ring bond data
205: ok 3776 # correct ring bond data
205: ok 3777 # correct ring bond data
205: ok 3778 # correct ring bond data
205: ok 3779 # correct ring bond data
205: ok 3780 # correct ring bond data
205: ok 3781 # correct ring bond data
205: ok 3782 # SSSR size matches reference
205: ok 3783 # correct SSSR count
205: ok 3784 # ring membership passed
205: ok 3785 # correct SSSR count
205: ok 3786 # ring membership passed
205: ok 3787 # correct SSSR count
205: ok 3788 # ring membership passed
205: ok 3789 # correct SSSR count
205: ok 3790 # ring membership passed
205: ok 3791 # correct SSSR count
205: ok 3792 # ring membership passed
205: ok 3793 # correct SSSR count
205: ok 3794 # ring membership passed
205: ok 3795 # correct SSSR count
205: ok 3796 # ring membership passed
205: ok 3797 # correct SSSR count
205: ok 3798 # ring membership passed
205: ok 3799 # correct SSSR count
205: ok 3800 # ring membership passed
205: ok 3801 # correct SSSR count
205: ok 3802 # ring membership passed
205: ok 3803 # correct SSSR count
205: ok 3804 # ring membership passed
205: ok 3805 # correct SSSR count
205: ok 3806 # ring membership passed
205: ok 3807 # correct SSSR count
205: ok 3808 # ring membership passed
205: ok 3809 # correct SSSR count
205: ok 3810 # ring membership passed
205: ok 3811 # correct SSSR count
205: ok 3812 # ring membership passed
205: ok 3813 # correct SSSR count
205: ok 3814 # ring membership passed
205: ok 3815 # correct SSSR count
205: ok 3816 # ring membership passed
205: ok 3817 # correct SSSR count
205: ok 3818 # ring membership passed
205: ok 3819 # correct SSSR count
205: ok 3820 # ring membership passed
205: ok 3821 # correct SSSR count
205: ok 3822 # ring membership passed
205: ok 3823 # correct SSSR count
205: ok 3824 # ring membership passed
205: ok 3825 # correct SSSR count
205: ok 3826 # ring membership passed
205: ok 3827 # correct SSSR count
205: ok 3828 # ring membership passed
205: ok 3829 # correct SSSR count
205: ok 3830 # ring membership passed
205: ok 3831 # correct SSSR count
205: ok 3832 # ring membership passed
205: ok 3833 # correct SSSR count
205: ok 3834 # ring membership passed
205: ok 3835 # correct SSSR count
205: ok 3836 # ring membership passed
205: ok 3837 # correct SSSR count
205: ok 3838 # ring membership passed
205: ok 3839 # correct ring bond data
205: ok 3840 # correct ring bond data
205: ok 3841 # correct ring bond data
205: ok 3842 # correct ring bond data
205: ok 3843 # correct ring bond data
205: ok 3844 # correct ring bond data
205: ok 3845 # correct ring bond data
205: ok 3846 # correct ring bond data
205: ok 3847 # correct ring bond data
205: ok 3848 # correct ring bond data
205: ok 3849 # correct ring bond data
205: ok 3850 # correct ring bond data
205: ok 3851 # correct ring bond data
205: ok 3852 # correct ring bond data
205: ok 3853 # correct ring bond data
205: ok 3854 # correct ring bond data
205: ok 3855 # correct ring bond data
205: ok 3856 # correct ring bond data
205: ok 3857 # correct ring bond data
205: ok 3858 # correct ring bond data
205: ok 3859 # correct ring bond data
205: ok 3860 # correct ring bond data
205: ok 3861 # correct ring bond data
205: ok 3862 # correct ring bond data
205: ok 3863 # SSSR size matches reference
205: ok 3864 # correct SSSR count
205: ok 3865 # ring membership passed
205: ok 3866 # correct SSSR count
205: ok 3867 # ring membership passed
205: ok 3868 # correct SSSR count
205: ok 3869 # ring membership passed
205: ok 3870 # correct SSSR count
205: ok 3871 # ring membership passed
205: ok 3872 # correct SSSR count
205: ok 3873 # ring membership passed
205: ok 3874 # correct SSSR count
205: ok 3875 # ring membership passed
205: ok 3876 # correct SSSR count
205: ok 3877 # ring membership passed
205: ok 3878 # correct SSSR count
205: ok 3879 # ring membership passed
205: ok 3880 # correct SSSR count
205: ok 3881 # ring membership passed
205: ok 3882 # correct SSSR count
205: ok 3883 # ring membership passed
205: ok 3884 # correct SSSR count
205: ok 3885 # ring membership passed
205: ok 3886 # correct SSSR count
205: ok 3887 # ring membership passed
205: ok 3888 # correct SSSR count
205: ok 3889 # ring membership passed
205: ok 3890 # correct SSSR count
205: ok 3891 # ring membership passed
205: ok 3892 # correct SSSR count
205: ok 3893 # ring membership passed
205: ok 3894 # correct SSSR count
205: ok 3895 # ring membership passed
205: ok 3896 # correct SSSR count
205: ok 3897 # ring membership passed
205: ok 3898 # correct SSSR count
205: ok 3899 # ring membership passed
205: ok 3900 # correct SSSR count
205: ok 3901 # ring membership passed
205: ok 3902 # correct SSSR count
205: ok 3903 # ring membership passed
205: ok 3904 # correct SSSR count
205: ok 3905 # ring membership passed
205: ok 3906 # correct SSSR count
205: ok 3907 # ring membership passed
205: ok 3908 # correct ring bond data
205: ok 3909 # correct ring bond data
205: ok 3910 # correct ring bond data
205: ok 3911 # correct ring bond data
205: ok 3912 # correct ring bond data
205: ok 3913 # correct ring bond data
205: ok 3914 # correct ring bond data
205: ok 3915 # correct ring bond data
205: ok 3916 # correct ring bond data
205: ok 3917 # correct ring bond data
205: ok 3918 # correct ring bond data
205: ok 3919 # correct ring bond data
205: ok 3920 # correct ring bond data
205: ok 3921 # correct ring bond data
205: ok 3922 # correct ring bond data
205: ok 3923 # correct ring bond data
205: ok 3924 # correct ring bond data
205: ok 3925 # correct ring bond data
205: ok 3926 # correct ring bond data
205: ok 3927 # correct ring bond data
205: ok 3928 # correct ring bond data
205: ok 3929 # correct ring bond data
205: ok 3930 # correct ring bond data
205: ok 3931 # SSSR size matches reference
205: ok 3932 # correct SSSR count
205: ok 3933 # ring membership passed
205: ok 3934 # correct SSSR count
205: ok 3935 # ring membership passed
205: ok 3936 # correct SSSR count
205: ok 3937 # ring membership passed
205: ok 3938 # correct SSSR count
205: ok 3939 # ring membership passed
205: ok 3940 # correct SSSR count
205: ok 3941 # ring membership passed
205: ok 3942 # correct SSSR count
205: ok 3943 # ring membership passed
205: ok 3944 # correct SSSR count
205: ok 3945 # ring membership passed
205: ok 3946 # correct SSSR count
205: ok 3947 # ring membership passed
205: ok 3948 # correct SSSR count
205: ok 3949 # ring membership passed
205: ok 3950 # correct SSSR count
205: ok 3951 # ring membership passed
205: ok 3952 # correct SSSR count
205: ok 3953 # ring membership passed
205: ok 3954 # correct SSSR count
205: ok 3955 # ring membership passed
205: ok 3956 # correct SSSR count
205: ok 3957 # ring membership passed
205: ok 3958 # correct SSSR count
205: ok 3959 # ring membership passed
205: ok 3960 # correct SSSR count
205: ok 3961 # ring membership passed
205: ok 3962 # correct SSSR count
205: ok 3963 # ring membership passed
205: ok 3964 # correct SSSR count
205: ok 3965 # ring membership passed
205: ok 3966 # correct SSSR count
205: ok 3967 # ring membership passed
205: ok 3968 # correct SSSR count
205: ok 3969 # ring membership passed
205: ok 3970 # correct SSSR count
205: ok 3971 # ring membership passed
205: ok 3972 # correct SSSR count
205: ok 3973 # ring membership passed
205: ok 3974 # correct ring bond data
205: ok 3975 # correct ring bond data
205: ok 3976 # correct ring bond data
205: ok 3977 # correct ring bond data
205: ok 3978 # correct ring bond data
205: ok 3979 # correct ring bond data
205: ok 3980 # correct ring bond data
205: ok 3981 # correct ring bond data
205: ok 3982 # correct ring bond data
205: ok 3983 # correct ring bond data
205: ok 3984 # correct ring bond data
205: ok 3985 # correct ring bond data
205: ok 3986 # correct ring bond data
205: ok 3987 # SSSR size matches reference
205: ok 3988 # correct SSSR count
205: ok 3989 # ring membership passed
205: ok 3990 # correct SSSR count
205: ok 3991 # ring membership passed
205: ok 3992 # correct SSSR count
205: ok 3993 # ring membership passed
205: ok 3994 # correct SSSR count
205: ok 3995 # ring membership passed
205: ok 3996 # correct SSSR count
205: ok 3997 # ring membership passed
205: ok 3998 # correct SSSR count
205: ok 3999 # ring membership passed
205: ok 4000 # correct SSSR count
205: ok 4001 # ring membership passed
205: ok 4002 # correct SSSR count
205: ok 4003 # ring membership passed
205: ok 4004 # correct SSSR count
205: ok 4005 # ring membership passed
205: ok 4006 # correct SSSR count
205: ok 4007 # ring membership passed
205: ok 4008 # correct SSSR count
205: ok 4009 # ring membership passed
205: ok 4010 # correct SSSR count
205: ok 4011 # ring membership passed
205: ok 4012 # correct SSSR count
205: ok 4013 # ring membership passed
205: ok 4014 # correct ring bond data
205: ok 4015 # correct ring bond data
205: ok 4016 # correct ring bond data
205: ok 4017 # correct ring bond data
205: ok 4018 # correct ring bond data
205: ok 4019 # correct ring bond data
205: ok 4020 # correct ring bond data
205: ok 4021 # correct ring bond data
205: ok 4022 # correct ring bond data
205: ok 4023 # correct ring bond data
205: ok 4024 # correct ring bond data
205: ok 4025 # correct ring bond data
205: ok 4026 # correct ring bond data
205: ok 4027 # correct ring bond data
205: ok 4028 # correct ring bond data
205: ok 4029 # correct ring bond data
205: ok 4030 # correct ring bond data
205: ok 4031 # correct ring bond data
205: ok 4032 # correct ring bond data
205: ok 4033 # correct ring bond data
205: ok 4034 # correct ring bond data
205: ok 4035 # correct ring bond data
205: ok 4036 # correct ring bond data
205: ok 4037 # SSSR size matches reference
205: ok 4038 # correct SSSR count
205: ok 4039 # ring membership passed
205: ok 4040 # correct SSSR count
205: ok 4041 # ring membership passed
205: ok 4042 # correct SSSR count
205: ok 4043 # ring membership passed
205: ok 4044 # correct SSSR count
205: ok 4045 # ring membership passed
205: ok 4046 # correct SSSR count
205: ok 4047 # ring membership passed
205: ok 4048 # correct SSSR count
205: ok 4049 # ring membership passed
205: ok 4050 # correct SSSR count
205: ok 4051 # ring membership passed
205: ok 4052 # correct SSSR count
205: ok 4053 # ring membership passed
205: ok 4054 # correct SSSR count
205: ok 4055 # ring membership passed
205: ok 4056 # correct SSSR count
205: ok 4057 # ring membership passed
205: ok 4058 # correct SSSR count
205: ok 4059 # ring membership passed
205: ok 4060 # correct SSSR count
205: ok 4061 # ring membership passed
205: ok 4062 # correct SSSR count
205: ok 4063 # ring membership passed
205: ok 4064 # correct SSSR count
205: ok 4065 # ring membership passed
205: ok 4066 # correct SSSR count
205: ok 4067 # ring membership passed
205: ok 4068 # correct SSSR count
205: ok 4069 # ring membership passed
205: ok 4070 # correct SSSR count
205: ok 4071 # ring membership passed
205: ok 4072 # correct SSSR count
205: ok 4073 # ring membership passed
205: ok 4074 # correct SSSR count
205: ok 4075 # ring membership passed
205: ok 4076 # correct SSSR count
205: ok 4077 # ring membership passed
205: ok 4078 # correct SSSR count
205: ok 4079 # ring membership passed
205: ok 4080 # correct ring bond data
205: ok 4081 # correct ring bond data
205: ok 4082 # correct ring bond data
205: ok 4083 # correct ring bond data
205: ok 4084 # correct ring bond data
205: ok 4085 # correct ring bond data
205: ok 4086 # correct ring bond data
205: ok 4087 # correct ring bond data
205: ok 4088 # correct ring bond data
205: ok 4089 # correct ring bond data
205: ok 4090 # correct ring bond data
205: ok 4091 # correct ring bond data
205: ok 4092 # correct ring bond data
205: ok 4093 # correct ring bond data
205: ok 4094 # correct ring bond data
205: ok 4095 # correct ring bond data
205: ok 4096 # correct ring bond data
205: ok 4097 # SSSR size matches reference
205: ok 4098 # correct SSSR count
205: ok 4099 # ring membership passed
205: ok 4100 # correct SSSR count
205: ok 4101 # ring membership passed
205: ok 4102 # correct SSSR count
205: ok 4103 # ring membership passed
205: ok 4104 # correct SSSR count
205: ok 4105 # ring membership passed
205: ok 4106 # correct SSSR count
205: ok 4107 # ring membership passed
205: ok 4108 # correct SSSR count
205: ok 4109 # ring membership passed
205: ok 4110 # correct SSSR count
205: ok 4111 # ring membership passed
205: ok 4112 # correct SSSR count
205: ok 4113 # ring membership passed
205: ok 4114 # correct SSSR count
205: ok 4115 # ring membership passed
205: ok 4116 # correct SSSR count
205: ok 4117 # ring membership passed
205: ok 4118 # correct SSSR count
205: ok 4119 # ring membership passed
205: ok 4120 # correct SSSR count
205: ok 4121 # ring membership passed
205: ok 4122 # correct SSSR count
205: ok 4123 # ring membership passed
205: ok 4124 # correct SSSR count
205: ok 4125 # ring membership passed
205: ok 4126 # correct SSSR count
205: ok 4127 # ring membership passed
205: ok 4128 # correct SSSR count
205: ok 4129 # ring membership passed
205: ok 4130 # correct ring bond data
205: ok 4131 # correct ring bond data
205: ok 4132 # correct ring bond data
205: ok 4133 # correct ring bond data
205: ok 4134 # correct ring bond data
205: ok 4135 # correct ring bond data
205: ok 4136 # correct ring bond data
205: ok 4137 # correct ring bond data
205: ok 4138 # correct ring bond data
205: ok 4139 # correct ring bond data
205: ok 4140 # correct ring bond data
205: ok 4141 # correct ring bond data
205: ok 4142 # correct ring bond data
205: ok 4143 # correct ring bond data
205: ok 4144 # correct ring bond data
205: ok 4145 # correct ring bond data
205: ok 4146 # correct ring bond data
205: ok 4147 # correct ring bond data
205: ok 4148 # correct ring bond data
205: ok 4149 # correct ring bond data
205: ok 4150 # correct ring bond data
205: ok 4151 # correct ring bond data
205: ok 4152 # correct ring bond data
205: ok 4153 # correct ring bond data
205: ok 4154 # SSSR size matches reference
205: ok 4155 # correct SSSR count
205: ok 4156 # ring membership passed
205: ok 4157 # correct SSSR count
205: ok 4158 # ring membership passed
205: ok 4159 # correct SSSR count
205: ok 4160 # ring membership passed
205: ok 4161 # correct SSSR count
205: ok 4162 # ring membership passed
205: ok 4163 # correct SSSR count
205: ok 4164 # ring membership passed
205: ok 4165 # correct SSSR count
205: ok 4166 # ring membership passed
205: ok 4167 # correct SSSR count
205: ok 4168 # ring membership passed
205: ok 4169 # correct SSSR count
205: ok 4170 # ring membership passed
205: ok 4171 # correct SSSR count
205: ok 4172 # ring membership passed
205: ok 4173 # correct SSSR count
205: ok 4174 # ring membership passed
205: ok 4175 # correct SSSR count
205: ok 4176 # ring membership passed
205: ok 4177 # correct SSSR count
205: ok 4178 # ring membership passed
205: ok 4179 # correct SSSR count
205: ok 4180 # ring membership passed
205: ok 4181 # correct SSSR count
205: ok 4182 # ring membership passed
205: ok 4183 # correct SSSR count
205: ok 4184 # ring membership passed
205: ok 4185 # correct SSSR count
205: ok 4186 # ring membership passed
205: ok 4187 # correct SSSR count
205: ok 4188 # ring membership passed
205: ok 4189 # correct SSSR count
205: ok 4190 # ring membership passed
205: ok 4191 # correct SSSR count
205: ok 4192 # ring membership passed
205: ok 4193 # correct SSSR count
205: ok 4194 # ring membership passed
205: ok 4195 # correct SSSR count
205: ok 4196 # ring membership passed
205: ok 4197 # correct SSSR count
205: ok 4198 # ring membership passed
205: ok 4199 # correct ring bond data
205: ok 4200 # correct ring bond data
205: ok 4201 # correct ring bond data
205: ok 4202 # correct ring bond data
205: ok 4203 # correct ring bond data
205: ok 4204 # correct ring bond data
205: ok 4205 # correct ring bond data
205: ok 4206 # correct ring bond data
205: ok 4207 # correct ring bond data
205: ok 4208 # correct ring bond data
205: ok 4209 # correct ring bond data
205: ok 4210 # correct ring bond data
205: ok 4211 # correct ring bond data
205: ok 4212 # correct ring bond data
205: ok 4213 # correct ring bond data
205: ok 4214 # correct ring bond data
205: ok 4215 # correct ring bond data
205: ok 4216 # SSSR size matches reference
205: ok 4217 # correct SSSR count
205: ok 4218 # ring membership passed
205: ok 4219 # correct SSSR count
205: ok 4220 # ring membership passed
205: ok 4221 # correct SSSR count
205: ok 4222 # ring membership passed
205: ok 4223 # correct SSSR count
205: ok 4224 # ring membership passed
205: ok 4225 # correct SSSR count
205: ok 4226 # ring membership passed
205: ok 4227 # correct SSSR count
205: ok 4228 # ring membership passed
205: ok 4229 # correct SSSR count
205: ok 4230 # ring membership passed
205: ok 4231 # correct SSSR count
205: ok 4232 # ring membership passed
205: ok 4233 # correct SSSR count
205: ok 4234 # ring membership passed
205: ok 4235 # correct SSSR count
205: ok 4236 # ring membership passed
205: ok 4237 # correct SSSR count
205: ok 4238 # ring membership passed
205: ok 4239 # correct SSSR count
205: ok 4240 # ring membership passed
205: ok 4241 # correct SSSR count
205: ok 4242 # ring membership passed
205: ok 4243 # correct SSSR count
205: ok 4244 # ring membership passed
205: ok 4245 # correct SSSR count
205: ok 4246 # ring membership passed
205: ok 4247 # correct SSSR count
205: ok 4248 # ring membership passed
205: ok 4249 # correct ring bond data
205: ok 4250 # correct ring bond data
205: ok 4251 # correct ring bond data
205: ok 4252 # correct ring bond data
205: ok 4253 # correct ring bond data
205: ok 4254 # correct ring bond data
205: ok 4255 # correct ring bond data
205: ok 4256 # correct ring bond data
205: ok 4257 # correct ring bond data
205: ok 4258 # correct ring bond data
205: ok 4259 # correct ring bond data
205: ok 4260 # correct ring bond data
205: ok 4261 # correct ring bond data
205: ok 4262 # correct ring bond data
205: ok 4263 # correct ring bond data
205: ok 4264 # correct ring bond data
205: ok 4265 # correct ring bond data
205: ok 4266 # correct ring bond data
205: ok 4267 # SSSR size matches reference
205: ok 4268 # correct SSSR count
205: ok 4269 # ring membership passed
205: ok 4270 # correct SSSR count
205: ok 4271 # ring membership passed
205: ok 4272 # correct SSSR count
205: ok 4273 # ring membership passed
205: ok 4274 # correct SSSR count
205: ok 4275 # ring membership passed
205: ok 4276 # correct SSSR count
205: ok 4277 # ring membership passed
205: ok 4278 # correct SSSR count
205: ok 4279 # ring membership passed
205: ok 4280 # correct SSSR count
205: ok 4281 # ring membership passed
205: ok 4282 # correct SSSR count
205: ok 4283 # ring membership passed
205: ok 4284 # correct SSSR count
205: ok 4285 # ring membership passed
205: ok 4286 # correct SSSR count
205: ok 4287 # ring membership passed
205: ok 4288 # correct SSSR count
205: ok 4289 # ring membership passed
205: ok 4290 # correct SSSR count
205: ok 4291 # ring membership passed
205: ok 4292 # correct SSSR count
205: ok 4293 # ring membership passed
205: ok 4294 # correct SSSR count
205: ok 4295 # ring membership passed
205: ok 4296 # correct SSSR count
205: ok 4297 # ring membership passed
205: ok 4298 # correct SSSR count
205: ok 4299 # ring membership passed
205: ok 4300 # correct SSSR count
205: ok 4301 # ring membership passed
205: ok 4302 # correct ring bond data
205: ok 4303 # correct ring bond data
205: ok 4304 # correct ring bond data
205: ok 4305 # correct ring bond data
205: ok 4306 # correct ring bond data
205: ok 4307 # correct ring bond data
205: ok 4308 # correct ring bond data
205: ok 4309 # correct ring bond data
205: ok 4310 # correct ring bond data
205: ok 4311 # correct ring bond data
205: ok 4312 # correct ring bond data
205: ok 4313 # correct ring bond data
205: ok 4314 # correct ring bond data
205: ok 4315 # correct ring bond data
205: ok 4316 # correct ring bond data
205: ok 4317 # correct ring bond data
205: ok 4318 # correct ring bond data
205: ok 4319 # correct ring bond data
205: ok 4320 # correct ring bond data
205: ok 4321 # SSSR size matches reference
205: ok 4322 # correct SSSR count
205: ok 4323 # ring membership passed
205: ok 4324 # correct SSSR count
205: ok 4325 # ring membership passed
205: ok 4326 # correct SSSR count
205: ok 4327 # ring membership passed
205: ok 4328 # correct SSSR count
205: ok 4329 # ring membership passed
205: ok 4330 # correct SSSR count
205: ok 4331 # ring membership passed
205: ok 4332 # correct SSSR count
205: ok 4333 # ring membership passed
205: ok 4334 # correct SSSR count
205: ok 4335 # ring membership passed
205: ok 4336 # correct SSSR count
205: ok 4337 # ring membership passed
205: ok 4338 # correct SSSR count
205: ok 4339 # ring membership passed
205: ok 4340 # correct SSSR count
205: ok 4341 # ring membership passed
205: ok 4342 # correct SSSR count
205: ok 4343 # ring membership passed
205: ok 4344 # correct SSSR count
205: ok 4345 # ring membership passed
205: ok 4346 # correct SSSR count
205: ok 4347 # ring membership passed
205: ok 4348 # correct SSSR count
205: ok 4349 # ring membership passed
205: ok 4350 # correct SSSR count
205: ok 4351 # ring membership passed
205: ok 4352 # correct SSSR count
205: ok 4353 # ring membership passed
205: ok 4354 # correct SSSR count
205: ok 4355 # ring membership passed
205: ok 4356 # correct SSSR count
205: ok 4357 # ring membership passed
205: ok 4358 # correct ring bond data
205: ok 4359 # correct ring bond data
205: ok 4360 # correct ring bond data
205: ok 4361 # correct ring bond data
205: ok 4362 # correct ring bond data
205: ok 4363 # correct ring bond data
205: ok 4364 # correct ring bond data
205: ok 4365 # correct ring bond data
205: ok 4366 # correct ring bond data
205: ok 4367 # correct ring bond data
205: ok 4368 # correct ring bond data
205: ok 4369 # correct ring bond data
205: ok 4370 # correct ring bond data
205: ok 4371 # correct ring bond data
205: ok 4372 # correct ring bond data
205: ok 4373 # correct ring bond data
205: ok 4374 # correct ring bond data
205: ok 4375 # correct ring bond data
205: ok 4376 # correct ring bond data
205: ok 4377 # correct ring bond data
205: ok 4378 # SSSR size matches reference
205: ok 4379 # correct SSSR count
205: ok 4380 # ring membership passed
205: ok 4381 # correct SSSR count
205: ok 4382 # ring membership passed
205: ok 4383 # correct SSSR count
205: ok 4384 # ring membership passed
205: ok 4385 # correct SSSR count
205: ok 4386 # ring membership passed
205: ok 4387 # correct SSSR count
205: ok 4388 # ring membership passed
205: ok 4389 # correct SSSR count
205: ok 4390 # ring membership passed
205: ok 4391 # correct SSSR count
205: ok 4392 # ring membership passed
205: ok 4393 # correct SSSR count
205: ok 4394 # ring membership passed
205: ok 4395 # correct SSSR count
205: ok 4396 # ring membership passed
205: ok 4397 # correct SSSR count
205: ok 4398 # ring membership passed
205: ok 4399 # correct SSSR count
205: ok 4400 # ring membership passed
205: ok 4401 # correct SSSR count
205: ok 4402 # ring membership passed
205: ok 4403 # correct SSSR count
205: ok 4404 # ring membership passed
205: ok 4405 # correct SSSR count
205: ok 4406 # ring membership passed
205: ok 4407 # correct SSSR count
205: ok 4408 # ring membership passed
205: ok 4409 # correct SSSR count
205: ok 4410 # ring membership passed
205: ok 4411 # correct SSSR count
205: ok 4412 # ring membership passed
205: ok 4413 # correct SSSR count
205: ok 4414 # ring membership passed
205: ok 4415 # correct SSSR count
205: ok 4416 # ring membership passed
205: ok 4417 # correct ring bond data
205: ok 4418 # correct ring bond data
205: ok 4419 # correct ring bond data
205: ok 4420 # correct ring bond data
205: ok 4421 # correct ring bond data
205: ok 4422 # correct ring bond data
205: ok 4423 # correct ring bond data
205: ok 4424 # correct ring bond data
205: ok 4425 # correct ring bond data
205: ok 4426 # correct ring bond data
205: ok 4427 # correct ring bond data
205: ok 4428 # correct ring bond data
205: ok 4429 # correct ring bond data
205: ok 4430 # correct ring bond data
205: ok 4431 # correct ring bond data
205: ok 4432 # correct ring bond data
205: ok 4433 # correct ring bond data
205: ok 4434 # correct ring bond data
205: ok 4435 # correct ring bond data
205: ok 4436 # correct ring bond data
205: ok 4437 # SSSR size matches reference
205: ok 4438 # correct SSSR count
205: ok 4439 # ring membership passed
205: ok 4440 # correct SSSR count
205: ok 4441 # ring membership passed
205: ok 4442 # correct SSSR count
205: ok 4443 # ring membership passed
205: ok 4444 # correct SSSR count
205: ok 4445 # ring membership passed
205: ok 4446 # correct SSSR count
205: ok 4447 # ring membership passed
205: ok 4448 # correct SSSR count
205: ok 4449 # ring membership passed
205: ok 4450 # correct SSSR count
205: ok 4451 # ring membership passed
205: ok 4452 # correct SSSR count
205: ok 4453 # ring membership passed
205: ok 4454 # correct SSSR count
205: ok 4455 # ring membership passed
205: ok 4456 # correct SSSR count
205: ok 4457 # ring membership passed
205: ok 4458 # correct SSSR count
205: ok 4459 # ring membership passed
205: ok 4460 # correct SSSR count
205: ok 4461 # ring membership passed
205: ok 4462 # correct SSSR count
205: ok 4463 # ring membership passed
205: ok 4464 # correct SSSR count
205: ok 4465 # ring membership passed
205: ok 4466 # correct SSSR count
205: ok 4467 # ring membership passed
205: ok 4468 # correct SSSR count
205: ok 4469 # ring membership passed
205: ok 4470 # correct SSSR count
205: ok 4471 # ring membership passed
205: ok 4472 # correct SSSR count
205: ok 4473 # ring membership passed
205: ok 4474 # correct SSSR count
205: ok 4475 # ring membership passed
205: ok 4476 # correct ring bond data
205: ok 4477 # correct ring bond data
205: ok 4478 # correct ring bond data
205: ok 4479 # correct ring bond data
205: ok 4480 # correct ring bond data
205: ok 4481 # correct ring bond data
205: ok 4482 # correct ring bond data
205: ok 4483 # correct ring bond data
205: ok 4484 # correct ring bond data
205: ok 4485 # correct ring bond data
205: ok 4486 # correct ring bond data
205: ok 4487 # correct ring bond data
205: ok 4488 # correct ring bond data
205: ok 4489 # correct ring bond data
205: ok 4490 # correct ring bond data
205: ok 4491 # correct ring bond data
205: ok 4492 # correct ring bond data
205: ok 4493 # correct ring bond data
205: ok 4494 # correct ring bond data
205: ok 4495 # correct ring bond data
205: ok 4496 # correct ring bond data
205: ok 4497 # SSSR size matches reference
205: ok 4498 # correct SSSR count
205: ok 4499 # ring membership passed
205: ok 4500 # correct SSSR count
205: ok 4501 # ring membership passed
205: ok 4502 # correct SSSR count
205: ok 4503 # ring membership passed
205: ok 4504 # correct SSSR count
205: ok 4505 # ring membership passed
205: ok 4506 # correct SSSR count
205: ok 4507 # ring membership passed
205: ok 4508 # correct SSSR count
205: ok 4509 # ring membership passed
205: ok 4510 # correct SSSR count
205: ok 4511 # ring membership passed
205: ok 4512 # correct SSSR count
205: ok 4513 # ring membership passed
205: ok 4514 # correct SSSR count
205: ok 4515 # ring membership passed
205: ok 4516 # correct SSSR count
205: ok 4517 # ring membership passed
205: ok 4518 # correct SSSR count
205: ok 4519 # ring membership passed
205: ok 4520 # correct SSSR count
205: ok 4521 # ring membership passed
205: ok 4522 # correct SSSR count
205: ok 4523 # ring membership passed
205: ok 4524 # correct SSSR count
205: ok 4525 # ring membership passed
205: ok 4526 # correct SSSR count
205: ok 4527 # ring membership passed
205: ok 4528 # correct SSSR count
205: ok 4529 # ring membership passed
205: ok 4530 # correct SSSR count
205: ok 4531 # ring membership passed
205: ok 4532 # correct SSSR count
205: ok 4533 # ring membership passed
205: ok 4534 # correct SSSR count
205: ok 4535 # ring membership passed
205: ok 4536 # correct SSSR count
205: ok 4537 # ring membership passed
205: ok 4538 # correct ring bond data
205: ok 4539 # correct ring bond data
205: ok 4540 # correct ring bond data
205: ok 4541 # correct ring bond data
205: ok 4542 # correct ring bond data
205: ok 4543 # correct ring bond data
205: ok 4544 # correct ring bond data
205: ok 4545 # correct ring bond data
205: ok 4546 # correct ring bond data
205: ok 4547 # correct ring bond data
205: ok 4548 # correct ring bond data
205: ok 4549 # correct ring bond data
205: ok 4550 # correct ring bond data
205: ok 4551 # correct ring bond data
205: ok 4552 # correct ring bond data
205: ok 4553 # correct ring bond data
205: ok 4554 # correct ring bond data
205: ok 4555 # correct ring bond data
205: ok 4556 # correct ring bond data
205: ok 4557 # correct ring bond data
205: ok 4558 # correct ring bond data
205: ok 4559 # SSSR size matches reference
205: ok 4560 # correct SSSR count
205: ok 4561 # ring membership passed
205: ok 4562 # correct SSSR count
205: ok 4563 # ring membership passed
205: ok 4564 # correct SSSR count
205: ok 4565 # ring membership passed
205: ok 4566 # correct SSSR count
205: ok 4567 # ring membership passed
205: ok 4568 # correct SSSR count
205: ok 4569 # ring membership passed
205: ok 4570 # correct SSSR count
205: ok 4571 # ring membership passed
205: ok 4572 # correct SSSR count
205: ok 4573 # ring membership passed
205: ok 4574 # correct SSSR count
205: ok 4575 # ring membership passed
205: ok 4576 # correct SSSR count
205: ok 4577 # ring membership passed
205: ok 4578 # correct SSSR count
205: ok 4579 # ring membership passed
205: ok 4580 # correct SSSR count
205: ok 4581 # ring membership passed
205: ok 4582 # correct SSSR count
205: ok 4583 # ring membership passed
205: ok 4584 # correct SSSR count
205: ok 4585 # ring membership passed
205: ok 4586 # correct SSSR count
205: ok 4587 # ring membership passed
205: ok 4588 # correct SSSR count
205: ok 4589 # ring membership passed
205: ok 4590 # correct SSSR count
205: ok 4591 # ring membership passed
205: ok 4592 # correct SSSR count
205: ok 4593 # ring membership passed
205: ok 4594 # correct SSSR count
205: ok 4595 # ring membership passed
205: ok 4596 # correct SSSR count
205: ok 4597 # ring membership passed
205: ok 4598 # correct SSSR count
205: ok 4599 # ring membership passed
205: ok 4600 # correct ring bond data
205: ok 4601 # correct ring bond data
205: ok 4602 # correct ring bond data
205: ok 4603 # correct ring bond data
205: ok 4604 # correct ring bond data
205: ok 4605 # correct ring bond data
205: ok 4606 # correct ring bond data
205: ok 4607 # correct ring bond data
205: ok 4608 # correct ring bond data
205: ok 4609 # correct ring bond data
205: ok 4610 # correct ring bond data
205: ok 4611 # correct ring bond data
205: ok 4612 # correct ring bond data
205: ok 4613 # correct ring bond data
205: ok 4614 # correct ring bond data
205: ok 4615 # correct ring bond data
205: ok 4616 # correct ring bond data
205: ok 4617 # correct ring bond data
205: ok 4618 # correct ring bond data
205: ok 4619 # correct ring bond data
205: ok 4620 # correct ring bond data
205: ok 4621 # SSSR size matches reference
205: ok 4622 # correct SSSR count
205: ok 4623 # ring membership passed
205: ok 4624 # correct SSSR count
205: ok 4625 # ring membership passed
205: ok 4626 # correct SSSR count
205: ok 4627 # ring membership passed
205: ok 4628 # correct SSSR count
205: ok 4629 # ring membership passed
205: ok 4630 # correct SSSR count
205: ok 4631 # ring membership passed
205: ok 4632 # correct SSSR count
205: ok 4633 # ring membership passed
205: ok 4634 # correct SSSR count
205: ok 4635 # ring membership passed
205: ok 4636 # correct SSSR count
205: ok 4637 # ring membership passed
205: ok 4638 # correct SSSR count
205: ok 4639 # ring membership passed
205: ok 4640 # correct SSSR count
205: ok 4641 # ring membership passed
205: ok 4642 # correct SSSR count
205: ok 4643 # ring membership passed
205: ok 4644 # correct SSSR count
205: ok 4645 # ring membership passed
205: ok 4646 # correct SSSR count
205: ok 4647 # ring membership passed
205: ok 4648 # correct SSSR count
205: ok 4649 # ring membership passed
205: ok 4650 # correct SSSR count
205: ok 4651 # ring membership passed
205: ok 4652 # correct SSSR count
205: ok 4653 # ring membership passed
205: ok 4654 # correct SSSR count
205: ok 4655 # ring membership passed
205: ok 4656 # correct SSSR count
205: ok 4657 # ring membership passed
205: ok 4658 # correct SSSR count
205: ok 4659 # ring membership passed
205: ok 4660 # correct SSSR count
205: ok 4661 # ring membership passed
205: ok 4662 # correct ring bond data
205: ok 4663 # correct ring bond data
205: ok 4664 # correct ring bond data
205: ok 4665 # correct ring bond data
205: ok 4666 # correct ring bond data
205: ok 4667 # correct ring bond data
205: ok 4668 # correct ring bond data
205: ok 4669 # correct ring bond data
205: ok 4670 # correct ring bond data
205: ok 4671 # correct ring bond data
205: ok 4672 # correct ring bond data
205: ok 4673 # correct ring bond data
205: ok 4674 # correct ring bond data
205: ok 4675 # correct ring bond data
205: ok 4676 # correct ring bond data
205: ok 4677 # SSSR size matches reference
205: ok 4678 # correct SSSR count
205: ok 4679 # ring membership passed
205: ok 4680 # correct SSSR count
205: ok 4681 # ring membership passed
205: ok 4682 # correct SSSR count
205: ok 4683 # ring membership passed
205: ok 4684 # correct SSSR count
205: ok 4685 # ring membership passed
205: ok 4686 # correct SSSR count
205: ok 4687 # ring membership passed
205: ok 4688 # correct SSSR count
205: ok 4689 # ring membership passed
205: ok 4690 # correct SSSR count
205: ok 4691 # ring membership passed
205: ok 4692 # correct SSSR count
205: ok 4693 # ring membership passed
205: ok 4694 # correct SSSR count
205: ok 4695 # ring membership passed
205: ok 4696 # correct SSSR count
205: ok 4697 # ring membership passed
205: ok 4698 # correct SSSR count
205: ok 4699 # ring membership passed
205: ok 4700 # correct SSSR count
205: ok 4701 # ring membership passed
205: ok 4702 # correct SSSR count
205: ok 4703 # ring membership passed
205: ok 4704 # correct SSSR count
205: ok 4705 # ring membership passed
205: ok 4706 # correct ring bond data
205: ok 4707 # correct ring bond data
205: ok 4708 # correct ring bond data
205: ok 4709 # correct ring bond data
205: ok 4710 # correct ring bond data
205: ok 4711 # correct ring bond data
205: ok 4712 # correct ring bond data
205: ok 4713 # correct ring bond data
205: ok 4714 # correct ring bond data
205: ok 4715 # correct ring bond data
205: ok 4716 # correct ring bond data
205: ok 4717 # correct ring bond data
205: ok 4718 # correct ring bond data
205: ok 4719 # correct ring bond data
205: ok 4720 # correct ring bond data
205: ok 4721 # correct ring bond data
205: ok 4722 # correct ring bond data
205: ok 4723 # correct ring bond data
205: ok 4724 # SSSR size matches reference
205: ok 4725 # correct SSSR count
205: ok 4726 # ring membership passed
205: ok 4727 # correct SSSR count
205: ok 4728 # ring membership passed
205: ok 4729 # correct SSSR count
205: ok 4730 # ring membership passed
205: ok 4731 # correct SSSR count
205: ok 4732 # ring membership passed
205: ok 4733 # correct SSSR count
205: ok 4734 # ring membership passed
205: ok 4735 # correct SSSR count
205: ok 4736 # ring membership passed
205: ok 4737 # correct SSSR count
205: ok 4738 # ring membership passed
205: ok 4739 # correct SSSR count
205: ok 4740 # ring membership passed
205: ok 4741 # correct SSSR count
205: ok 4742 # ring membership passed
205: ok 4743 # correct SSSR count
205: ok 4744 # ring membership passed
205: ok 4745 # correct SSSR count
205: ok 4746 # ring membership passed
205: ok 4747 # correct SSSR count
205: ok 4748 # ring membership passed
205: ok 4749 # correct SSSR count
205: ok 4750 # ring membership passed
205: ok 4751 # correct SSSR count
205: ok 4752 # ring membership passed
205: ok 4753 # correct SSSR count
205: ok 4754 # ring membership passed
205: ok 4755 # correct SSSR count
205: ok 4756 # ring membership passed
205: ok 4757 # correct SSSR count
205: ok 4758 # ring membership passed
205: ok 4759 # correct ring bond data
205: ok 4760 # correct ring bond data
205: ok 4761 # correct ring bond data
205: ok 4762 # correct ring bond data
205: ok 4763 # correct ring bond data
205: ok 4764 # correct ring bond data
205: ok 4765 # correct ring bond data
205: ok 4766 # correct ring bond data
205: ok 4767 # correct ring bond data
205: ok 4768 # correct ring bond data
205: ok 4769 # correct ring bond data
205: ok 4770 # correct ring bond data
205: ok 4771 # correct ring bond data
205: ok 4772 # correct ring bond data
205: ok 4773 # correct ring bond data
205: ok 4774 # correct ring bond data
205: ok 4775 # correct ring bond data
205: ok 4776 # correct ring bond data
205: ok 4777 # SSSR size matches reference
205: ok 4778 # correct SSSR count
205: ok 4779 # ring membership passed
205: ok 4780 # correct SSSR count
205: ok 4781 # ring membership passed
205: ok 4782 # correct SSSR count
205: ok 4783 # ring membership passed
205: ok 4784 # correct SSSR count
205: ok 4785 # ring membership passed
205: ok 4786 # correct SSSR count
205: ok 4787 # ring membership passed
205: ok 4788 # correct SSSR count
205: ok 4789 # ring membership passed
205: ok 4790 # correct SSSR count
205: ok 4791 # ring membership passed
205: ok 4792 # correct SSSR count
205: ok 4793 # ring membership passed
205: ok 4794 # correct SSSR count
205: ok 4795 # ring membership passed
205: ok 4796 # correct SSSR count
205: ok 4797 # ring membership passed
205: ok 4798 # correct SSSR count
205: ok 4799 # ring membership passed
205: ok 4800 # correct SSSR count
205: ok 4801 # ring membership passed
205: ok 4802 # correct SSSR count
205: ok 4803 # ring membership passed
205: ok 4804 # correct SSSR count
205: ok 4805 # ring membership passed
205: ok 4806 # correct SSSR count
205: ok 4807 # ring membership passed
205: ok 4808 # correct SSSR count
205: ok 4809 # ring membership passed
205: ok 4810 # correct SSSR count
205: ok 4811 # ring membership passed
205: ok 4812 # correct ring bond data
205: ok 4813 # correct ring bond data
205: ok 4814 # correct ring bond data
205: ok 4815 # correct ring bond data
205: ok 4816 # correct ring bond data
205: ok 4817 # correct ring bond data
205: ok 4818 # correct ring bond data
205: ok 4819 # correct ring bond data
205: ok 4820 # correct ring bond data
205: ok 4821 # correct ring bond data
205: ok 4822 # correct ring bond data
205: ok 4823 # correct ring bond data
205: ok 4824 # correct ring bond data
205: ok 4825 # correct ring bond data
205: ok 4826 # correct ring bond data
205: ok 4827 # correct ring bond data
205: ok 4828 # correct ring bond data
205: ok 4829 # correct ring bond data
205: ok 4830 # correct ring bond data
205: ok 4831 # correct ring bond data
205: ok 4832 # SSSR size matches reference
205: ok 4833 # correct SSSR count
205: ok 4834 # ring membership passed
205: ok 4835 # correct SSSR count
205: ok 4836 # ring membership passed
205: ok 4837 # correct SSSR count
205: ok 4838 # ring membership passed
205: ok 4839 # correct SSSR count
205: ok 4840 # ring membership passed
205: ok 4841 # correct SSSR count
205: ok 4842 # ring membership passed
205: ok 4843 # correct SSSR count
205: ok 4844 # ring membership passed
205: ok 4845 # correct SSSR count
205: ok 4846 # ring membership passed
205: ok 4847 # correct SSSR count
205: ok 4848 # ring membership passed
205: ok 4849 # correct SSSR count
205: ok 4850 # ring membership passed
205: ok 4851 # correct SSSR count
205: ok 4852 # ring membership passed
205: ok 4853 # correct SSSR count
205: ok 4854 # ring membership passed
205: ok 4855 # correct SSSR count
205: ok 4856 # ring membership passed
205: ok 4857 # correct SSSR count
205: ok 4858 # ring membership passed
205: ok 4859 # correct SSSR count
205: ok 4860 # ring membership passed
205: ok 4861 # correct SSSR count
205: ok 4862 # ring membership passed
205: ok 4863 # correct SSSR count
205: ok 4864 # ring membership passed
205: ok 4865 # correct SSSR count
205: ok 4866 # ring membership passed
205: ok 4867 # correct SSSR count
205: ok 4868 # ring membership passed
205: ok 4869 # correct SSSR count
205: ok 4870 # ring membership passed
205: ok 4871 # correct ring bond data
205: ok 4872 # correct ring bond data
205: ok 4873 # correct ring bond data
205: ok 4874 # correct ring bond data
205: ok 4875 # correct ring bond data
205: ok 4876 # correct ring bond data
205: ok 4877 # correct ring bond data
205: ok 4878 # correct ring bond data
205: ok 4879 # correct ring bond data
205: ok 4880 # correct ring bond data
205: ok 4881 # correct ring bond data
205: ok 4882 # correct ring bond data
205: ok 4883 # correct ring bond data
205: ok 4884 # correct ring bond data
205: ok 4885 # correct ring bond data
205: ok 4886 # correct ring bond data
205: ok 4887 # correct ring bond data
205: ok 4888 # correct ring bond data
205: ok 4889 # correct ring bond data
205: ok 4890 # correct ring bond data
205: ok 4891 # correct ring bond data
205: ok 4892 # SSSR size matches reference
205: ok 4893 # correct SSSR count
205: ok 4894 # ring membership passed
205: ok 4895 # correct SSSR count
205: ok 4896 # ring membership passed
205: ok 4897 # correct SSSR count
205: ok 4898 # ring membership passed
205: ok 4899 # correct SSSR count
205: ok 4900 # ring membership passed
205: ok 4901 # correct SSSR count
205: ok 4902 # ring membership passed
205: ok 4903 # correct SSSR count
205: ok 4904 # ring membership passed
205: ok 4905 # correct SSSR count
205: ok 4906 # ring membership passed
205: ok 4907 # correct SSSR count
205: ok 4908 # ring membership passed
205: ok 4909 # correct SSSR count
205: ok 4910 # ring membership passed
205: ok 4911 # correct SSSR count
205: ok 4912 # ring membership passed
205: ok 4913 # correct SSSR count
205: ok 4914 # ring membership passed
205: ok 4915 # correct SSSR count
205: ok 4916 # ring membership passed
205: ok 4917 # correct SSSR count
205: ok 4918 # ring membership passed
205: ok 4919 # correct SSSR count
205: ok 4920 # ring membership passed
205: ok 4921 # correct SSSR count
205: ok 4922 # ring membership passed
205: ok 4923 # correct SSSR count
205: ok 4924 # ring membership passed
205: ok 4925 # correct SSSR count
205: ok 4926 # ring membership passed
205: ok 4927 # correct SSSR count
205: ok 4928 # ring membership passed
205: ok 4929 # correct SSSR count
205: ok 4930 # ring membership passed
205: ok 4931 # correct SSSR count
205: ok 4932 # ring membership passed
205: ok 4933 # correct ring bond data
205: ok 4934 # correct ring bond data
205: ok 4935 # correct ring bond data
205: ok 4936 # correct ring bond data
205: ok 4937 # correct ring bond data
205: ok 4938 # correct ring bond data
205: ok 4939 # correct ring bond data
205: ok 4940 # correct ring bond data
205: ok 4941 # correct ring bond data
205: ok 4942 # correct ring bond data
205: ok 4943 # correct ring bond data
205: ok 4944 # correct ring bond data
205: ok 4945 # correct ring bond data
205: ok 4946 # correct ring bond data
205: ok 4947 # correct ring bond data
205: ok 4948 # correct ring bond data
205: ok 4949 # correct ring bond data
205: ok 4950 # correct ring bond data
205: ok 4951 # correct ring bond data
205: ok 4952 # SSSR size matches reference
205: ok 4953 # correct SSSR count
205: ok 4954 # ring membership passed
205: ok 4955 # correct SSSR count
205: ok 4956 # ring membership passed
205: ok 4957 # correct SSSR count
205: ok 4958 # ring membership passed
205: ok 4959 # correct SSSR count
205: ok 4960 # ring membership passed
205: ok 4961 # correct SSSR count
205: ok 4962 # ring membership passed
205: ok 4963 # correct SSSR count
205: ok 4964 # ring membership passed
205: ok 4965 # correct SSSR count
205: ok 4966 # ring membership passed
205: ok 4967 # correct SSSR count
205: ok 4968 # ring membership passed
205: ok 4969 # correct SSSR count
205: ok 4970 # ring membership passed
205: ok 4971 # correct SSSR count
205: ok 4972 # ring membership passed
205: ok 4973 # correct SSSR count
205: ok 4974 # ring membership passed
205: ok 4975 # correct SSSR count
205: ok 4976 # ring membership passed
205: ok 4977 # correct SSSR count
205: ok 4978 # ring membership passed
205: ok 4979 # correct SSSR count
205: ok 4980 # ring membership passed
205: ok 4981 # correct SSSR count
205: ok 4982 # ring membership passed
205: ok 4983 # correct SSSR count
205: ok 4984 # ring membership passed
205: ok 4985 # correct SSSR count
205: ok 4986 # ring membership passed
205: ok 4987 # correct SSSR count
205: ok 4988 # ring membership passed
205: ok 4989 # correct ring bond data
205: ok 4990 # correct ring bond data
205: ok 4991 # correct ring bond data
205: ok 4992 # correct ring bond data
205: ok 4993 # correct ring bond data
205: ok 4994 # correct ring bond data
205: ok 4995 # correct ring bond data
205: ok 4996 # correct ring bond data
205: ok 4997 # correct ring bond data
205: ok 4998 # correct ring bond data
205: ok 4999 # correct ring bond data
205: ok 5000 # correct ring bond data
205: ok 5001 # correct ring bond data
205: ok 5002 # correct ring bond data
205: ok 5003 # correct ring bond data
205: ok 5004 # correct ring bond data
205: ok 5005 # correct ring bond data
205: ok 5006 # correct ring bond data
205: ok 5007 # correct ring bond data
205: ok 5008 # SSSR size matches reference
205: ok 5009 # correct SSSR count
205: ok 5010 # ring membership passed
205: ok 5011 # correct SSSR count
205: ok 5012 # ring membership passed
205: ok 5013 # correct SSSR count
205: ok 5014 # ring membership passed
205: ok 5015 # correct SSSR count
205: ok 5016 # ring membership passed
205: ok 5017 # correct SSSR count
205: ok 5018 # ring membership passed
205: ok 5019 # correct SSSR count
205: ok 5020 # ring membership passed
205: ok 5021 # correct SSSR count
205: ok 5022 # ring membership passed
205: ok 5023 # correct SSSR count
205: ok 5024 # ring membership passed
205: ok 5025 # correct SSSR count
205: ok 5026 # ring membership passed
205: ok 5027 # correct SSSR count
205: ok 5028 # ring membership passed
205: ok 5029 # correct SSSR count
205: ok 5030 # ring membership passed
205: ok 5031 # correct SSSR count
205: ok 5032 # ring membership passed
205: ok 5033 # correct SSSR count
205: ok 5034 # ring membership passed
205: ok 5035 # correct SSSR count
205: ok 5036 # ring membership passed
205: ok 5037 # correct SSSR count
205: ok 5038 # ring membership passed
205: ok 5039 # correct SSSR count
205: ok 5040 # ring membership passed
205: ok 5041 # correct SSSR count
205: ok 5042 # ring membership passed
205: ok 5043 # correct SSSR count
205: ok 5044 # ring membership passed
205: ok 5045 # correct ring bond data
205: ok 5046 # correct ring bond data
205: ok 5047 # correct ring bond data
205: ok 5048 # correct ring bond data
205: ok 5049 # correct ring bond data
205: ok 5050 # correct ring bond data
205: ok 5051 # correct ring bond data
205: ok 5052 # correct ring bond data
205: ok 5053 # correct ring bond data
205: ok 5054 # correct ring bond data
205: ok 5055 # correct ring bond data
205: ok 5056 # correct ring bond data
205: ok 5057 # correct ring bond data
205: ok 5058 # correct ring bond data
205: ok 5059 # correct ring bond data
205: ok 5060 # correct ring bond data
205: ok 5061 # correct ring bond data
205: ok 5062 # correct ring bond data
205: ok 5063 # correct ring bond data
205: ok 5064 # correct ring bond data
205: ok 5065 # SSSR size matches reference
205: ok 5066 # correct SSSR count
205: ok 5067 # ring membership passed
205: ok 5068 # correct SSSR count
205: ok 5069 # ring membership passed
205: ok 5070 # correct SSSR count
205: ok 5071 # ring membership passed
205: ok 5072 # correct SSSR count
205: ok 5073 # ring membership passed
205: ok 5074 # correct SSSR count
205: ok 5075 # ring membership passed
205: ok 5076 # correct SSSR count
205: ok 5077 # ring membership passed
205: ok 5078 # correct SSSR count
205: ok 5079 # ring membership passed
205: ok 5080 # correct SSSR count
205: ok 5081 # ring membership passed
205: ok 5082 # correct SSSR count
205: ok 5083 # ring membership passed
205: ok 5084 # correct SSSR count
205: ok 5085 # ring membership passed
205: ok 5086 # correct SSSR count
205: ok 5087 # ring membership passed
205: ok 5088 # correct SSSR count
205: ok 5089 # ring membership passed
205: ok 5090 # correct SSSR count
205: ok 5091 # ring membership passed
205: ok 5092 # correct SSSR count
205: ok 5093 # ring membership passed
205: ok 5094 # correct SSSR count
205: ok 5095 # ring membership passed
205: ok 5096 # correct SSSR count
205: ok 5097 # ring membership passed
205: ok 5098 # correct SSSR count
205: ok 5099 # ring membership passed
205: ok 5100 # correct SSSR count
205: ok 5101 # ring membership passed
205: ok 5102 # correct SSSR count
205: ok 5103 # ring membership passed
205: ok 5104 # correct ring bond data
205: ok 5105 # correct ring bond data
205: ok 5106 # correct ring bond data
205: ok 5107 # correct ring bond data
205: ok 5108 # correct ring bond data
205: ok 5109 # correct ring bond data
205: ok 5110 # correct ring bond data
205: ok 5111 # correct ring bond data
205: ok 5112 # correct ring bond data
205: ok 5113 # correct ring bond data
205: ok 5114 # correct ring bond data
205: ok 5115 # correct ring bond data
205: ok 5116 # correct ring bond data
205: ok 5117 # correct ring bond data
205: ok 5118 # correct ring bond data
205: ok 5119 # correct ring bond data
205: ok 5120 # correct ring bond data
205: ok 5121 # correct ring bond data
205: ok 5122 # correct ring bond data
205: ok 5123 # SSSR size matches reference
205: ok 5124 # correct SSSR count
205: ok 5125 # ring membership passed
205: ok 5126 # correct SSSR count
205: ok 5127 # ring membership passed
205: ok 5128 # correct SSSR count
205: ok 5129 # ring membership passed
205: ok 5130 # correct SSSR count
205: ok 5131 # ring membership passed
205: ok 5132 # correct SSSR count
205: ok 5133 # ring membership passed
205: ok 5134 # correct SSSR count
205: ok 5135 # ring membership passed
205: ok 5136 # correct SSSR count
205: ok 5137 # ring membership passed
205: ok 5138 # correct SSSR count
205: ok 5139 # ring membership passed
205: ok 5140 # correct SSSR count
205: ok 5141 # ring membership passed
205: ok 5142 # correct SSSR count
205: ok 5143 # ring membership passed
205: ok 5144 # correct SSSR count
205: ok 5145 # ring membership passed
205: ok 5146 # correct SSSR count
205: ok 5147 # ring membership passed
205: ok 5148 # correct SSSR count
205: ok 5149 # ring membership passed
205: ok 5150 # correct SSSR count
205: ok 5151 # ring membership passed
205: ok 5152 # correct SSSR count
205: ok 5153 # ring membership passed
205: ok 5154 # correct SSSR count
205: ok 5155 # ring membership passed
205: ok 5156 # correct SSSR count
205: ok 5157 # ring membership passed
205: ok 5158 # correct SSSR count
205: ok 5159 # ring membership passed
205: ok 5160 # correct ring bond data
205: ok 5161 # correct ring bond data
205: ok 5162 # correct ring bond data
205: ok 5163 # correct ring bond data
205: ok 5164 # correct ring bond data
205: ok 5165 # correct ring bond data
205: ok 5166 # correct ring bond data
205: ok 5167 # correct ring bond data
205: ok 5168 # correct ring bond data
205: ok 5169 # correct ring bond data
205: ok 5170 # correct ring bond data
205: ok 5171 # correct ring bond data
205: ok 5172 # correct ring bond data
205: ok 5173 # correct ring bond data
205: ok 5174 # correct ring bond data
205: ok 5175 # correct ring bond data
205: ok 5176 # correct ring bond data
205: ok 5177 # correct ring bond data
205: ok 5178 # correct ring bond data
205: ok 5179 # correct ring bond data
205: ok 5180 # correct ring bond data
205: ok 5181 # SSSR size matches reference
205: ok 5182 # correct SSSR count
205: ok 5183 # ring membership passed
205: ok 5184 # correct SSSR count
205: ok 5185 # ring membership passed
205: ok 5186 # correct SSSR count
205: ok 5187 # ring membership passed
205: ok 5188 # correct SSSR count
205: ok 5189 # ring membership passed
205: ok 5190 # correct SSSR count
205: ok 5191 # ring membership passed
205: ok 5192 # correct SSSR count
205: ok 5193 # ring membership passed
205: ok 5194 # correct SSSR count
205: ok 5195 # ring membership passed
205: ok 5196 # correct SSSR count
205: ok 5197 # ring membership passed
205: ok 5198 # correct SSSR count
205: ok 5199 # ring membership passed
205: ok 5200 # correct SSSR count
205: ok 5201 # ring membership passed
205: ok 5202 # correct SSSR count
205: ok 5203 # ring membership passed
205: ok 5204 # correct SSSR count
205: ok 5205 # ring membership passed
205: ok 5206 # correct SSSR count
205: ok 5207 # ring membership passed
205: ok 5208 # correct SSSR count
205: ok 5209 # ring membership passed
205: ok 5210 # correct SSSR count
205: ok 5211 # ring membership passed
205: ok 5212 # correct SSSR count
205: ok 5213 # ring membership passed
205: ok 5214 # correct SSSR count
205: ok 5215 # ring membership passed
205: ok 5216 # correct SSSR count
205: ok 5217 # ring membership passed
205: ok 5218 # correct SSSR count
205: ok 5219 # ring membership passed
205: ok 5220 # correct SSSR count
205: ok 5221 # ring membership passed
205: ok 5222 # correct ring bond data
205: ok 5223 # correct ring bond data
205: ok 5224 # correct ring bond data
205: ok 5225 # correct ring bond data
205: ok 5226 # correct ring bond data
205: ok 5227 # correct ring bond data
205: ok 5228 # correct ring bond data
205: ok 5229 # correct ring bond data
205: ok 5230 # correct ring bond data
205: ok 5231 # correct ring bond data
205: ok 5232 # correct ring bond data
205: ok 5233 # correct ring bond data
205: ok 5234 # SSSR size matches reference
205: ok 5235 # correct SSSR count
205: ok 5236 # ring membership passed
205: ok 5237 # correct SSSR count
205: ok 5238 # ring membership passed
205: ok 5239 # correct SSSR count
205: ok 5240 # ring membership passed
205: ok 5241 # correct SSSR count
205: ok 5242 # ring membership passed
205: ok 5243 # correct SSSR count
205: ok 5244 # ring membership passed
205: ok 5245 # correct SSSR count
205: ok 5246 # ring membership passed
205: ok 5247 # correct SSSR count
205: ok 5248 # ring membership passed
205: ok 5249 # correct SSSR count
205: ok 5250 # ring membership passed
205: ok 5251 # correct SSSR count
205: ok 5252 # ring membership passed
205: ok 5253 # correct SSSR count
205: ok 5254 # ring membership passed
205: ok 5255 # correct SSSR count
205: ok 5256 # ring membership passed
205: ok 5257 # correct SSSR count
205: ok 5258 # ring membership passed
205: ok 5259 # correct ring bond data
205: ok 5260 # correct ring bond data
205: ok 5261 # correct ring bond data
205: ok 5262 # correct ring bond data
205: ok 5263 # correct ring bond data
205: ok 5264 # correct ring bond data
205: ok 5265 # correct ring bond data
205: ok 5266 # correct ring bond data
205: ok 5267 # correct ring bond data
205: ok 5268 # correct ring bond data
205: ok 5269 # correct ring bond data
205: ok 5270 # correct ring bond data
205: ok 5271 # SSSR size matches reference
205: ok 5272 # correct SSSR count
205: ok 5273 # ring membership passed
205: ok 5274 # correct SSSR count
205: ok 5275 # ring membership passed
205: ok 5276 # correct SSSR count
205: ok 5277 # ring membership passed
205: ok 5278 # correct SSSR count
205: ok 5279 # ring membership passed
205: ok 5280 # correct SSSR count
205: ok 5281 # ring membership passed
205: ok 5282 # correct SSSR count
205: ok 5283 # ring membership passed
205: ok 5284 # correct SSSR count
205: ok 5285 # ring membership passed
205: ok 5286 # correct SSSR count
205: ok 5287 # ring membership passed
205: ok 5288 # correct SSSR count
205: ok 5289 # ring membership passed
205: ok 5290 # correct SSSR count
205: ok 5291 # ring membership passed
205: ok 5292 # correct SSSR count
205: ok 5293 # ring membership passed
205: ok 5294 # correct SSSR count
205: ok 5295 # ring membership passed
205: ok 5296 # correct ring bond data
205: ok 5297 # correct ring bond data
205: ok 5298 # correct ring bond data
205: ok 5299 # correct ring bond data
205: ok 5300 # correct ring bond data
205: ok 5301 # correct ring bond data
205: ok 5302 # correct ring bond data
205: ok 5303 # correct ring bond data
205: ok 5304 # correct ring bond data
205: ok 5305 # correct ring bond data
205: ok 5306 # correct ring bond data
205: ok 5307 # correct ring bond data
205: ok 5308 # correct ring bond data
205: ok 5309 # correct ring bond data
205: ok 5310 # correct ring bond data
205: ok 5311 # correct ring bond data
205: ok 5312 # correct ring bond data
205: ok 5313 # correct ring bond data
205: ok 5314 # correct ring bond data
205: ok 5315 # correct ring bond data
205: ok 5316 # correct ring bond data
205: ok 5317 # SSSR size matches reference
205: ok 5318 # correct SSSR count
205: ok 5319 # ring membership passed
205: ok 5320 # correct SSSR count
205: ok 5321 # ring membership passed
205: ok 5322 # correct SSSR count
205: ok 5323 # ring membership passed
205: ok 5324 # correct SSSR count
205: ok 5325 # ring membership passed
205: ok 5326 # correct SSSR count
205: ok 5327 # ring membership passed
205: ok 5328 # correct SSSR count
205: ok 5329 # ring membership passed
205: ok 5330 # correct SSSR count
205: ok 5331 # ring membership passed
205: ok 5332 # correct SSSR count
205: ok 5333 # ring membership passed
205: ok 5334 # correct SSSR count
205: ok 5335 # ring membership passed
205: ok 5336 # correct SSSR count
205: ok 5337 # ring membership passed
205: ok 5338 # correct SSSR count
205: ok 5339 # ring membership passed
205: ok 5340 # correct SSSR count
205: ok 5341 # ring membership passed
205: ok 5342 # correct SSSR count
205: ok 5343 # ring membership passed
205: ok 5344 # correct SSSR count
205: ok 5345 # ring membership passed
205: ok 5346 # correct SSSR count
205: ok 5347 # ring membership passed
205: ok 5348 # correct SSSR count
205: ok 5349 # ring membership passed
205: ok 5350 # correct SSSR count
205: ok 5351 # ring membership passed
205: ok 5352 # correct SSSR count
205: ok 5353 # ring membership passed
205: ok 5354 # correct SSSR count
205: ok 5355 # ring membership passed
205: ok 5356 # correct SSSR count
205: ok 5357 # ring membership passed
205: ok 5358 # correct ring bond data
205: ok 5359 # correct ring bond data
205: ok 5360 # correct ring bond data
205: ok 5361 # correct ring bond data
205: ok 5362 # correct ring bond data
205: ok 5363 # correct ring bond data
205: ok 5364 # correct ring bond data
205: ok 5365 # correct ring bond data
205: ok 5366 # correct ring bond data
205: ok 5367 # correct ring bond data
205: ok 5368 # correct ring bond data
205: ok 5369 # correct ring bond data
205: ok 5370 # correct ring bond data
205: ok 5371 # correct ring bond data
205: ok 5372 # correct ring bond data
205: ok 5373 # correct ring bond data
205: ok 5374 # correct ring bond data
205: ok 5375 # correct ring bond data
205: ok 5376 # correct ring bond data
205: ok 5377 # correct ring bond data
205: ok 5378 # correct ring bond data
205: ok 5379 # SSSR size matches reference
205: ok 5380 # correct SSSR count
205: ok 5381 # ring membership passed
205: ok 5382 # correct SSSR count
205: ok 5383 # ring membership passed
205: ok 5384 # correct SSSR count
205: ok 5385 # ring membership passed
205: ok 5386 # correct SSSR count
205: ok 5387 # ring membership passed
205: ok 5388 # correct SSSR count
205: ok 5389 # ring membership passed
205: ok 5390 # correct SSSR count
205: ok 5391 # ring membership passed
205: ok 5392 # correct SSSR count
205: ok 5393 # ring membership passed
205: ok 5394 # correct SSSR count
205: ok 5395 # ring membership passed
205: ok 5396 # correct SSSR count
205: ok 5397 # ring membership passed
205: ok 5398 # correct SSSR count
205: ok 5399 # ring membership passed
205: ok 5400 # correct SSSR count
205: ok 5401 # ring membership passed
205: ok 5402 # correct SSSR count
205: ok 5403 # ring membership passed
205: ok 5404 # correct SSSR count
205: ok 5405 # ring membership passed
205: ok 5406 # correct SSSR count
205: ok 5407 # ring membership passed
205: ok 5408 # correct SSSR count
205: ok 5409 # ring membership passed
205: ok 5410 # correct SSSR count
205: ok 5411 # ring membership passed
205: ok 5412 # correct SSSR count
205: ok 5413 # ring membership passed
205: ok 5414 # correct SSSR count
205: ok 5415 # ring membership passed
205: ok 5416 # correct SSSR count
205: ok 5417 # ring membership passed
205: ok 5418 # correct SSSR count
205: ok 5419 # ring membership passed
205: ok 5420 # correct ring bond data
205: ok 5421 # correct ring bond data
205: ok 5422 # correct ring bond data
205: ok 5423 # correct ring bond data
205: ok 5424 # correct ring bond data
205: ok 5425 # correct ring bond data
205: ok 5426 # correct ring bond data
205: ok 5427 # correct ring bond data
205: ok 5428 # correct ring bond data
205: ok 5429 # correct ring bond data
205: ok 5430 # correct ring bond data
205: ok 5431 # correct ring bond data
205: ok 5432 # correct ring bond data
205: ok 5433 # correct ring bond data
205: ok 5434 # correct ring bond data
205: ok 5435 # SSSR size matches reference
205: ok 5436 # correct SSSR count
205: ok 5437 # ring membership passed
205: ok 5438 # correct SSSR count
205: ok 5439 # ring membership passed
205: ok 5440 # correct SSSR count
205: ok 5441 # ring membership passed
205: ok 5442 # correct SSSR count
205: ok 5443 # ring membership passed
205: ok 5444 # correct SSSR count
205: ok 5445 # ring membership passed
205: ok 5446 # correct SSSR count
205: ok 5447 # ring membership passed
205: ok 5448 # correct SSSR count
205: ok 5449 # ring membership passed
205: ok 5450 # correct SSSR count
205: ok 5451 # ring membership passed
205: ok 5452 # correct SSSR count
205: ok 5453 # ring membership passed
205: ok 5454 # correct SSSR count
205: ok 5455 # ring membership passed
205: ok 5456 # correct SSSR count
205: ok 5457 # ring membership passed
205: ok 5458 # correct SSSR count
205: ok 5459 # ring membership passed
205: ok 5460 # correct SSSR count
205: ok 5461 # ring membership passed
205: ok 5462 # correct SSSR count
205: ok 5463 # ring membership passed
205: ok 5464 # correct SSSR count
205: ok 5465 # ring membership passed
205: ok 5466 # correct ring bond data
205: ok 5467 # correct ring bond data
205: ok 5468 # correct ring bond data
205: ok 5469 # correct ring bond data
205: ok 5470 # correct ring bond data
205: ok 5471 # correct ring bond data
205: ok 5472 # correct ring bond data
205: ok 5473 # correct ring bond data
205: ok 5474 # correct ring bond data
205: ok 5475 # correct ring bond data
205: ok 5476 # correct ring bond data
205: ok 5477 # correct ring bond data
205: ok 5478 # correct ring bond data
205: ok 5479 # correct ring bond data
205: ok 5480 # correct ring bond data
205: ok 5481 # correct ring bond data
205: ok 5482 # correct ring bond data
205: ok 5483 # correct ring bond data
205: ok 5484 # correct ring bond data
205: ok 5485 # SSSR size matches reference
205: ok 5486 # correct SSSR count
205: ok 5487 # ring membership passed
205: ok 5488 # correct SSSR count
205: ok 5489 # ring membership passed
205: ok 5490 # correct SSSR count
205: ok 5491 # ring membership passed
205: ok 5492 # correct SSSR count
205: ok 5493 # ring membership passed
205: ok 5494 # correct SSSR count
205: ok 5495 # ring membership passed
205: ok 5496 # correct SSSR count
205: ok 5497 # ring membership passed
205: ok 5498 # correct SSSR count
205: ok 5499 # ring membership passed
205: ok 5500 # correct SSSR count
205: ok 5501 # ring membership passed
205: ok 5502 # correct SSSR count
205: ok 5503 # ring membership passed
205: ok 5504 # correct SSSR count
205: ok 5505 # ring membership passed
205: ok 5506 # correct SSSR count
205: ok 5507 # ring membership passed
205: ok 5508 # correct SSSR count
205: ok 5509 # ring membership passed
205: ok 5510 # correct SSSR count
205: ok 5511 # ring membership passed
205: ok 5512 # correct SSSR count
205: ok 5513 # ring membership passed
205: ok 5514 # correct SSSR count
205: ok 5515 # ring membership passed
205: ok 5516 # correct SSSR count
205: ok 5517 # ring membership passed
205: ok 5518 # correct SSSR count
205: ok 5519 # ring membership passed
205: ok 5520 # correct SSSR count
205: ok 5521 # ring membership passed
205: ok 5522 # correct SSSR count
205: ok 5523 # ring membership passed
205: ok 5524 # correct ring bond data
205: ok 5525 # correct ring bond data
205: ok 5526 # correct ring bond data
205: ok 5527 # correct ring bond data
205: ok 5528 # correct ring bond data
205: ok 5529 # correct ring bond data
205: ok 5530 # correct ring bond data
205: ok 5531 # correct ring bond data
205: ok 5532 # correct ring bond data
205: ok 5533 # correct ring bond data
205: ok 5534 # correct ring bond data
205: ok 5535 # correct ring bond data
205: ok 5536 # correct ring bond data
205: ok 5537 # correct ring bond data
205: ok 5538 # correct ring bond data
205: ok 5539 # correct ring bond data
205: ok 5540 # correct ring bond data
205: ok 5541 # correct ring bond data
205: ok 5542 # correct ring bond data
205: ok 5543 # correct ring bond data
205: ok 5544 # SSSR size matches reference
205: ok 5545 # correct SSSR count
205: ok 5546 # ring membership passed
205: ok 5547 # correct SSSR count
205: ok 5548 # ring membership passed
205: ok 5549 # correct SSSR count
205: ok 5550 # ring membership passed
205: ok 5551 # correct SSSR count
205: ok 5552 # ring membership passed
205: ok 5553 # correct SSSR count
205: ok 5554 # ring membership passed
205: ok 5555 # correct SSSR count
205: ok 5556 # ring membership passed
205: ok 5557 # correct SSSR count
205: ok 5558 # ring membership passed
205: ok 5559 # correct SSSR count
205: ok 5560 # ring membership passed
205: ok 5561 # correct SSSR count
205: ok 5562 # ring membership passed
205: ok 5563 # correct SSSR count
205: ok 5564 # ring membership passed
205: ok 5565 # correct SSSR count
205: ok 5566 # ring membership passed
205: ok 5567 # correct SSSR count
205: ok 5568 # ring membership passed
205: ok 5569 # correct SSSR count
205: ok 5570 # ring membership passed
205: ok 5571 # correct SSSR count
205: ok 5572 # ring membership passed
205: ok 5573 # correct SSSR count
205: ok 5574 # ring membership passed
205: ok 5575 # correct SSSR count
205: ok 5576 # ring membership passed
205: ok 5577 # correct SSSR count
205: ok 5578 # ring membership passed
205: ok 5579 # correct SSSR count
205: ok 5580 # ring membership passed
205: ok 5581 # correct SSSR count
205: ok 5582 # ring membership passed
205: ok 5583 # correct SSSR count
205: ok 5584 # ring membership passed
205: ok 5585 # correct ring bond data
205: ok 5586 # correct ring bond data
205: ok 5587 # correct ring bond data
205: ok 5588 # correct ring bond data
205: ok 5589 # correct ring bond data
205: ok 5590 # correct ring bond data
205: ok 5591 # correct ring bond data
205: ok 5592 # correct ring bond data
205: ok 5593 # correct ring bond data
205: ok 5594 # correct ring bond data
205: ok 5595 # correct ring bond data
205: ok 5596 # correct ring bond data
205: ok 5597 # correct ring bond data
205: ok 5598 # correct ring bond data
205: ok 5599 # correct ring bond data
205: ok 5600 # correct ring bond data
205: ok 5601 # correct ring bond data
205: ok 5602 # correct ring bond data
205: ok 5603 # correct ring bond data
205: ok 5604 # correct ring bond data
205: ok 5605 # correct ring bond data
205: ok 5606 # SSSR size matches reference
205: ok 5607 # correct SSSR count
205: ok 5608 # ring membership passed
205: ok 5609 # correct SSSR count
205: ok 5610 # ring membership passed
205: ok 5611 # correct SSSR count
205: ok 5612 # ring membership passed
205: ok 5613 # correct SSSR count
205: ok 5614 # ring membership passed
205: ok 5615 # correct SSSR count
205: ok 5616 # ring membership passed
205: ok 5617 # correct SSSR count
205: ok 5618 # ring membership passed
205: ok 5619 # correct SSSR count
205: ok 5620 # ring membership passed
205: ok 5621 # correct SSSR count
205: ok 5622 # ring membership passed
205: ok 5623 # correct SSSR count
205: ok 5624 # ring membership passed
205: ok 5625 # correct SSSR count
205: ok 5626 # ring membership passed
205: ok 5627 # correct SSSR count
205: ok 5628 # ring membership passed
205: ok 5629 # correct SSSR count
205: ok 5630 # ring membership passed
205: ok 5631 # correct SSSR count
205: ok 5632 # ring membership passed
205: ok 5633 # correct SSSR count
205: ok 5634 # ring membership passed
205: ok 5635 # correct SSSR count
205: ok 5636 # ring membership passed
205: ok 5637 # correct SSSR count
205: ok 5638 # ring membership passed
205: ok 5639 # correct SSSR count
205: ok 5640 # ring membership passed
205: ok 5641 # correct SSSR count
205: ok 5642 # ring membership passed
205: ok 5643 # correct SSSR count
205: ok 5644 # ring membership passed
205: ok 5645 # correct SSSR count
205: ok 5646 # ring membership passed
205: ok 5647 # correct SSSR count
205: ok 5648 # ring membership passed
205: ok 5649 # correct ring bond data
205: ok 5650 # correct ring bond data
205: ok 5651 # correct ring bond data
205: ok 5652 # correct ring bond data
205: ok 5653 # correct ring bond data
205: ok 5654 # correct ring bond data
205: ok 5655 # correct ring bond data
205: ok 5656 # correct ring bond data
205: ok 5657 # correct ring bond data
205: ok 5658 # correct ring bond data
205: ok 5659 # correct ring bond data
205: ok 5660 # correct ring bond data
205: ok 5661 # correct ring bond data
205: ok 5662 # correct ring bond data
205: ok 5663 # correct ring bond data
205: ok 5664 # correct ring bond data
205: ok 5665 # correct ring bond data
205: ok 5666 # correct ring bond data
205: ok 5667 # correct ring bond data
205: ok 5668 # SSSR size matches reference
205: ok 5669 # correct SSSR count
205: ok 5670 # ring membership passed
205: ok 5671 # correct SSSR count
205: ok 5672 # ring membership passed
205: ok 5673 # correct SSSR count
205: ok 5674 # ring membership passed
205: ok 5675 # correct SSSR count
205: ok 5676 # ring membership passed
205: ok 5677 # correct SSSR count
205: ok 5678 # ring membership passed
205: ok 5679 # correct SSSR count
205: ok 5680 # ring membership passed
205: ok 5681 # correct SSSR count
205: ok 5682 # ring membership passed
205: ok 5683 # correct SSSR count
205: ok 5684 # ring membership passed
205: ok 5685 # correct SSSR count
205: ok 5686 # ring membership passed
205: ok 5687 # correct SSSR count
205: ok 5688 # ring membership passed
205: ok 5689 # correct SSSR count
205: ok 5690 # ring membership passed
205: ok 5691 # correct SSSR count
205: ok 5692 # ring membership passed
205: ok 5693 # correct SSSR count
205: ok 5694 # ring membership passed
205: ok 5695 # correct SSSR count
205: ok 5696 # ring membership passed
205: ok 5697 # correct SSSR count
205: ok 5698 # ring membership passed
205: ok 5699 # correct SSSR count
205: ok 5700 # ring membership passed
205: ok 5701 # correct SSSR count
205: ok 5702 # ring membership passed
205: ok 5703 # correct SSSR count
205: ok 5704 # ring membership passed
205: ok 5705 # correct SSSR count
205: ok 5706 # ring membership passed
205: ok 5707 # correct ring bond data
205: ok 5708 # correct ring bond data
205: ok 5709 # correct ring bond data
205: ok 5710 # correct ring bond data
205: ok 5711 # correct ring bond data
205: ok 5712 # correct ring bond data
205: ok 5713 # correct ring bond data
205: ok 5714 # correct ring bond data
205: ok 5715 # correct ring bond data
205: ok 5716 # correct ring bond data
205: ok 5717 # correct ring bond data
205: ok 5718 # correct ring bond data
205: ok 5719 # correct ring bond data
205: ok 5720 # correct ring bond data
205: ok 5721 # correct ring bond data
205: ok 5722 # correct ring bond data
205: ok 5723 # correct ring bond data
205: ok 5724 # correct ring bond data
205: ok 5725 # correct ring bond data
205: ok 5726 # correct ring bond data
205: ok 5727 # correct ring bond data
205: ok 5728 # correct ring bond data
205: ok 5729 # SSSR size matches reference
205: ok 5730 # correct SSSR count
205: ok 5731 # ring membership passed
205: ok 5732 # correct SSSR count
205: ok 5733 # ring membership passed
205: ok 5734 # correct SSSR count
205: ok 5735 # ring membership passed
205: ok 5736 # correct SSSR count
205: ok 5737 # ring membership passed
205: ok 5738 # correct SSSR count
205: ok 5739 # ring membership passed
205: ok 5740 # correct SSSR count
205: ok 5741 # ring membership passed
205: ok 5742 # correct SSSR count
205: ok 5743 # ring membership passed
205: ok 5744 # correct SSSR count
205: ok 5745 # ring membership passed
205: ok 5746 # correct SSSR count
205: ok 5747 # ring membership passed
205: ok 5748 # correct SSSR count
205: ok 5749 # ring membership passed
205: ok 5750 # correct SSSR count
205: ok 5751 # ring membership passed
205: ok 5752 # correct SSSR count
205: ok 5753 # ring membership passed
205: ok 5754 # correct SSSR count
205: ok 5755 # ring membership passed
205: ok 5756 # correct SSSR count
205: ok 5757 # ring membership passed
205: ok 5758 # correct SSSR count
205: ok 5759 # ring membership passed
205: ok 5760 # correct SSSR count
205: ok 5761 # ring membership passed
205: ok 5762 # correct SSSR count
205: ok 5763 # ring membership passed
205: ok 5764 # correct SSSR count
205: ok 5765 # ring membership passed
205: ok 5766 # correct SSSR count
205: ok 5767 # ring membership passed
205: ok 5768 # correct SSSR count
205: ok 5769 # ring membership passed
205: ok 5770 # correct SSSR count
205: ok 5771 # ring membership passed
205: ok 5772 # correct SSSR count
205: ok 5773 # ring membership passed
205: ok 5774 # correct ring bond data
205: ok 5775 # correct ring bond data
205: ok 5776 # correct ring bond data
205: ok 5777 # correct ring bond data
205: ok 5778 # correct ring bond data
205: ok 5779 # correct ring bond data
205: ok 5780 # correct ring bond data
205: ok 5781 # correct ring bond data
205: ok 5782 # correct ring bond data
205: ok 5783 # correct ring bond data
205: ok 5784 # correct ring bond data
205: ok 5785 # correct ring bond data
205: ok 5786 # correct ring bond data
205: ok 5787 # correct ring bond data
205: ok 5788 # SSSR size matches reference
205: ok 5789 # correct SSSR count
205: ok 5790 # ring membership passed
205: ok 5791 # correct SSSR count
205: ok 5792 # ring membership passed
205: ok 5793 # correct SSSR count
205: ok 5794 # ring membership passed
205: ok 5795 # correct SSSR count
205: ok 5796 # ring membership passed
205: ok 5797 # correct SSSR count
205: ok 5798 # ring membership passed
205: ok 5799 # correct SSSR count
205: ok 5800 # ring membership passed
205: ok 5801 # correct SSSR count
205: ok 5802 # ring membership passed
205: ok 5803 # correct SSSR count
205: ok 5804 # ring membership passed
205: ok 5805 # correct SSSR count
205: ok 5806 # ring membership passed
205: ok 5807 # correct SSSR count
205: ok 5808 # ring membership passed
205: ok 5809 # correct SSSR count
205: ok 5810 # ring membership passed
205: ok 5811 # correct SSSR count
205: ok 5812 # ring membership passed
205: ok 5813 # correct SSSR count
205: ok 5814 # ring membership passed
205: ok 5815 # correct SSSR count
205: ok 5816 # ring membership passed
205: ok 5817 # correct ring bond data
205: ok 5818 # correct ring bond data
205: ok 5819 # correct ring bond data
205: ok 5820 # correct ring bond data
205: ok 5821 # correct ring bond data
205: ok 5822 # correct ring bond data
205: ok 5823 # correct ring bond data
205: ok 5824 # correct ring bond data
205: ok 5825 # correct ring bond data
205: ok 5826 # correct ring bond data
205: ok 5827 # correct ring bond data
205: ok 5828 # correct ring bond data
205: ok 5829 # correct ring bond data
205: ok 5830 # correct ring bond data
205: ok 5831 # correct ring bond data
205: ok 5832 # correct ring bond data
205: ok 5833 # correct ring bond data
205: ok 5834 # correct ring bond data
205: ok 5835 # correct ring bond data
205: ok 5836 # correct ring bond data
205: ok 5837 # correct ring bond data
205: ok 5838 # correct ring bond data
205: ok 5839 # correct ring bond data
205: ok 5840 # correct ring bond data
205: ok 5841 # SSSR size matches reference
205: ok 5842 # correct SSSR count
205: ok 5843 # ring membership passed
205: ok 5844 # correct SSSR count
205: ok 5845 # ring membership passed
205: ok 5846 # correct SSSR count
205: ok 5847 # ring membership passed
205: ok 5848 # correct SSSR count
205: ok 5849 # ring membership passed
205: ok 5850 # correct SSSR count
205: ok 5851 # ring membership passed
205: ok 5852 # correct SSSR count
205: ok 5853 # ring membership passed
205: ok 5854 # correct SSSR count
205: ok 5855 # ring membership passed
205: ok 5856 # correct SSSR count
205: ok 5857 # ring membership passed
205: ok 5858 # correct SSSR count
205: ok 5859 # ring membership passed
205: ok 5860 # correct SSSR count
205: ok 5861 # ring membership passed
205: ok 5862 # correct SSSR count
205: ok 5863 # ring membership passed
205: ok 5864 # correct SSSR count
205: ok 5865 # ring membership passed
205: ok 5866 # correct SSSR count
205: ok 5867 # ring membership passed
205: ok 5868 # correct SSSR count
205: ok 5869 # ring membership passed
205: ok 5870 # correct SSSR count
205: ok 5871 # ring membership passed
205: ok 5872 # correct SSSR count
205: ok 5873 # ring membership passed
205: ok 5874 # correct SSSR count
205: ok 5875 # ring membership passed
205: ok 5876 # correct SSSR count
205: ok 5877 # ring membership passed
205: ok 5878 # correct SSSR count
205: ok 5879 # ring membership passed
205: ok 5880 # correct SSSR count
205: ok 5881 # ring membership passed
205: ok 5882 # correct SSSR count
205: ok 5883 # ring membership passed
205: ok 5884 # correct SSSR count
205: ok 5885 # ring membership passed
205: ok 5886 # correct SSSR count
205: ok 5887 # ring membership passed
205: ok 5888 # correct ring bond data
205: ok 5889 # correct ring bond data
205: ok 5890 # correct ring bond data
205: ok 5891 # correct ring bond data
205: ok 5892 # correct ring bond data
205: ok 5893 # correct ring bond data
205: ok 5894 # correct ring bond data
205: ok 5895 # correct ring bond data
205: ok 5896 # correct ring bond data
205: ok 5897 # correct ring bond data
205: ok 5898 # correct ring bond data
205: ok 5899 # correct ring bond data
205: ok 5900 # correct ring bond data
205: ok 5901 # correct ring bond data
205: ok 5902 # correct ring bond data
205: ok 5903 # correct ring bond data
205: ok 5904 # correct ring bond data
205: ok 5905 # correct ring bond data
205: ok 5906 # correct ring bond data
205: ok 5907 # SSSR size matches reference
205: ok 5908 # correct SSSR count
205: ok 5909 # ring membership passed
205: ok 5910 # correct SSSR count
205: ok 5911 # ring membership passed
205: ok 5912 # correct SSSR count
205: ok 5913 # ring membership passed
205: ok 5914 # correct SSSR count
205: ok 5915 # ring membership passed
205: ok 5916 # correct SSSR count
205: ok 5917 # ring membership passed
205: ok 5918 # correct SSSR count
205: ok 5919 # ring membership passed
205: ok 5920 # correct SSSR count
205: ok 5921 # ring membership passed
205: ok 5922 # correct SSSR count
205: ok 5923 # ring membership passed
205: ok 5924 # correct SSSR count
205: ok 5925 # ring membership passed
205: ok 5926 # correct SSSR count
205: ok 5927 # ring membership passed
205: ok 5928 # correct SSSR count
205: ok 5929 # ring membership passed
205: ok 5930 # correct SSSR count
205: ok 5931 # ring membership passed
205: ok 5932 # correct SSSR count
205: ok 5933 # ring membership passed
205: ok 5934 # correct SSSR count
205: ok 5935 # ring membership passed
205: ok 5936 # correct SSSR count
205: ok 5937 # ring membership passed
205: ok 5938 # correct SSSR count
205: ok 5939 # ring membership passed
205: ok 5940 # correct SSSR count
205: ok 5941 # ring membership passed
205: ok 5942 # correct SSSR count
205: ok 5943 # ring membership passed
205: ok 5944 # correct ring bond data
205: ok 5945 # correct ring bond data
205: ok 5946 # correct ring bond data
205: ok 5947 # correct ring bond data
205: ok 5948 # correct ring bond data
205: ok 5949 # correct ring bond data
205: ok 5950 # correct ring bond data
205: ok 5951 # correct ring bond data
205: ok 5952 # correct ring bond data
205: ok 5953 # correct ring bond data
205: ok 5954 # correct ring bond data
205: ok 5955 # correct ring bond data
205: ok 5956 # correct ring bond data
205: ok 5957 # correct ring bond data
205: ok 5958 # correct ring bond data
205: ok 5959 # correct ring bond data
205: ok 5960 # correct ring bond data
205: ok 5961 # correct ring bond data
205: ok 5962 # correct ring bond data
205: ok 5963 # correct ring bond data
205: ok 5964 # SSSR size matches reference
205: ok 5965 # correct SSSR count
205: ok 5966 # ring membership passed
205: ok 5967 # correct SSSR count
205: ok 5968 # ring membership passed
205: ok 5969 # correct SSSR count
205: ok 5970 # ring membership passed
205: ok 5971 # correct SSSR count
205: ok 5972 # ring membership passed
205: ok 5973 # correct SSSR count
205: ok 5974 # ring membership passed
205: ok 5975 # correct SSSR count
205: ok 5976 # ring membership passed
205: ok 5977 # correct SSSR count
205: ok 5978 # ring membership passed
205: ok 5979 # correct SSSR count
205: ok 5980 # ring membership passed
205: ok 5981 # correct SSSR count
205: ok 5982 # ring membership passed
205: ok 5983 # correct SSSR count
205: ok 5984 # ring membership passed
205: ok 5985 # correct SSSR count
205: ok 5986 # ring membership passed
205: ok 5987 # correct SSSR count
205: ok 5988 # ring membership passed
205: ok 5989 # correct SSSR count
205: ok 5990 # ring membership passed
205: ok 5991 # correct SSSR count
205: ok 5992 # ring membership passed
205: ok 5993 # correct SSSR count
205: ok 5994 # ring membership passed
205: ok 5995 # correct SSSR count
205: ok 5996 # ring membership passed
205: ok 5997 # correct SSSR count
205: ok 5998 # ring membership passed
205: ok 5999 # correct SSSR count
205: ok 6000 # ring membership passed
205: ok 6001 # correct ring bond data
205: ok 6002 # correct ring bond data
205: ok 6003 # correct ring bond data
205: ok 6004 # correct ring bond data
205: ok 6005 # correct ring bond data
205: ok 6006 # correct ring bond data
205: ok 6007 # correct ring bond data
205: ok 6008 # correct ring bond data
205: ok 6009 # correct ring bond data
205: ok 6010 # correct ring bond data
205: ok 6011 # correct ring bond data
205: ok 6012 # correct ring bond data
205: ok 6013 # correct ring bond data
205: ok 6014 # correct ring bond data
205: ok 6015 # correct ring bond data
205: ok 6016 # correct ring bond data
205: ok 6017 # correct ring bond data
205: ok 6018 # correct ring bond data
205: ok 6019 # correct ring bond data
205: ok 6020 # correct ring bond data
205: ok 6021 # correct ring bond data
205: ok 6022 # SSSR size matches reference
205: ok 6023 # correct SSSR count
205: ok 6024 # ring membership passed
205: ok 6025 # correct SSSR count
205: ok 6026 # ring membership passed
205: ok 6027 # correct SSSR count
205: ok 6028 # ring membership passed
205: ok 6029 # correct SSSR count
205: ok 6030 # ring membership passed
205: ok 6031 # correct SSSR count
205: ok 6032 # ring membership passed
205: ok 6033 # correct SSSR count
205: ok 6034 # ring membership passed
205: ok 6035 # correct SSSR count
205: ok 6036 # ring membership passed
205: ok 6037 # correct SSSR count
205: ok 6038 # ring membership passed
205: ok 6039 # correct SSSR count
205: ok 6040 # ring membership passed
205: ok 6041 # correct SSSR count
205: ok 6042 # ring membership passed
205: ok 6043 # correct SSSR count
205: ok 6044 # ring membership passed
205: ok 6045 # correct SSSR count
205: ok 6046 # ring membership passed
205: ok 6047 # correct SSSR count
205: ok 6048 # ring membership passed
205: ok 6049 # correct SSSR count
205: ok 6050 # ring membership passed
205: ok 6051 # correct SSSR count
205: ok 6052 # ring membership passed
205: ok 6053 # correct SSSR count
205: ok 6054 # ring membership passed
205: ok 6055 # correct SSSR count
205: ok 6056 # ring membership passed
205: ok 6057 # correct SSSR count
205: ok 6058 # ring membership passed
205: ok 6059 # correct SSSR count
205: ok 6060 # ring membership passed
205: ok 6061 # correct ring bond data
205: ok 6062 # correct ring bond data
205: ok 6063 # correct ring bond data
205: ok 6064 # correct ring bond data
205: ok 6065 # correct ring bond data
205: ok 6066 # correct ring bond data
205: ok 6067 # correct ring bond data
205: ok 6068 # correct ring bond data
205: ok 6069 # correct ring bond data
205: ok 6070 # correct ring bond data
205: ok 6071 # correct ring bond data
205: ok 6072 # correct ring bond data
205: ok 6073 # correct ring bond data
205: ok 6074 # correct ring bond data
205: ok 6075 # SSSR size matches reference
205: ok 6076 # correct SSSR count
205: ok 6077 # ring membership passed
205: ok 6078 # correct SSSR count
205: ok 6079 # ring membership passed
205: ok 6080 # correct SSSR count
205: ok 6081 # ring membership passed
205: ok 6082 # correct SSSR count
205: ok 6083 # ring membership passed
205: ok 6084 # correct SSSR count
205: ok 6085 # ring membership passed
205: ok 6086 # correct SSSR count
205: ok 6087 # ring membership passed
205: ok 6088 # correct SSSR count
205: ok 6089 # ring membership passed
205: ok 6090 # correct SSSR count
205: ok 6091 # ring membership passed
205: ok 6092 # correct SSSR count
205: ok 6093 # ring membership passed
205: ok 6094 # correct SSSR count
205: ok 6095 # ring membership passed
205: ok 6096 # correct SSSR count
205: ok 6097 # ring membership passed
205: ok 6098 # correct SSSR count
205: ok 6099 # ring membership passed
205: ok 6100 # correct SSSR count
205: ok 6101 # ring membership passed
205: ok 6102 # correct SSSR count
205: ok 6103 # ring membership passed
205: ok 6104 # correct ring bond data
205: ok 6105 # correct ring bond data
205: ok 6106 # correct ring bond data
205: ok 6107 # correct ring bond data
205: ok 6108 # correct ring bond data
205: ok 6109 # correct ring bond data
205: ok 6110 # correct ring bond data
205: ok 6111 # correct ring bond data
205: ok 6112 # correct ring bond data
205: ok 6113 # correct ring bond data
205: ok 6114 # correct ring bond data
205: ok 6115 # correct ring bond data
205: ok 6116 # correct ring bond data
205: ok 6117 # correct ring bond data
205: ok 6118 # SSSR size matches reference
205: ok 6119 # correct SSSR count
205: ok 6120 # ring membership passed
205: ok 6121 # correct SSSR count
205: ok 6122 # ring membership passed
205: ok 6123 # correct SSSR count
205: ok 6124 # ring membership passed
205: ok 6125 # correct SSSR count
205: ok 6126 # ring membership passed
205: ok 6127 # correct SSSR count
205: ok 6128 # ring membership passed
205: ok 6129 # correct SSSR count
205: ok 6130 # ring membership passed
205: ok 6131 # correct SSSR count
205: ok 6132 # ring membership passed
205: ok 6133 # correct SSSR count
205: ok 6134 # ring membership passed
205: ok 6135 # correct SSSR count
205: ok 6136 # ring membership passed
205: ok 6137 # correct SSSR count
205: ok 6138 # ring membership passed
205: ok 6139 # correct SSSR count
205: ok 6140 # ring membership passed
205: ok 6141 # correct SSSR count
205: ok 6142 # ring membership passed
205: ok 6143 # correct SSSR count
205: ok 6144 # ring membership passed
205: ok 6145 # correct SSSR count
205: ok 6146 # ring membership passed
205: ok 6147 # correct ring bond data
205: ok 6148 # correct ring bond data
205: ok 6149 # correct ring bond data
205: ok 6150 # correct ring bond data
205: ok 6151 # correct ring bond data
205: ok 6152 # correct ring bond data
205: ok 6153 # correct ring bond data
205: ok 6154 # correct ring bond data
205: ok 6155 # correct ring bond data
205: ok 6156 # correct ring bond data
205: ok 6157 # correct ring bond data
205: ok 6158 # correct ring bond data
205: ok 6159 # correct ring bond data
205: ok 6160 # correct ring bond data
205: ok 6161 # SSSR size matches reference
205: ok 6162 # correct SSSR count
205: ok 6163 # ring membership passed
205: ok 6164 # correct SSSR count
205: ok 6165 # ring membership passed
205: ok 6166 # correct SSSR count
205: ok 6167 # ring membership passed
205: ok 6168 # correct SSSR count
205: ok 6169 # ring membership passed
205: ok 6170 # correct SSSR count
205: ok 6171 # ring membership passed
205: ok 6172 # correct SSSR count
205: ok 6173 # ring membership passed
205: ok 6174 # correct SSSR count
205: ok 6175 # ring membership passed
205: ok 6176 # correct SSSR count
205: ok 6177 # ring membership passed
205: ok 6178 # correct SSSR count
205: ok 6179 # ring membership passed
205: ok 6180 # correct SSSR count
205: ok 6181 # ring membership passed
205: ok 6182 # correct SSSR count
205: ok 6183 # ring membership passed
205: ok 6184 # correct SSSR count
205: ok 6185 # ring membership passed
205: ok 6186 # correct SSSR count
205: ok 6187 # ring membership passed
205: ok 6188 # correct SSSR count
205: ok 6189 # ring membership passed
205: ok 6190 # correct ring bond data
205: ok 6191 # correct ring bond data
205: ok 6192 # correct ring bond data
205: ok 6193 # correct ring bond data
205: ok 6194 # correct ring bond data
205: ok 6195 # correct ring bond data
205: ok 6196 # correct ring bond data
205: ok 6197 # correct ring bond data
205: ok 6198 # correct ring bond data
205: ok 6199 # correct ring bond data
205: ok 6200 # correct ring bond data
205: ok 6201 # correct ring bond data
205: ok 6202 # SSSR size matches reference
205: ok 6203 # correct SSSR count
205: ok 6204 # ring membership passed
205: ok 6205 # correct SSSR count
205: ok 6206 # ring membership passed
205: ok 6207 # correct SSSR count
205: ok 6208 # ring membership passed
205: ok 6209 # correct SSSR count
205: ok 6210 # ring membership passed
205: ok 6211 # correct SSSR count
205: ok 6212 # ring membership passed
205: ok 6213 # correct SSSR count
205: ok 6214 # ring membership passed
205: ok 6215 # correct SSSR count
205: ok 6216 # ring membership passed
205: ok 6217 # correct SSSR count
205: ok 6218 # ring membership passed
205: ok 6219 # correct SSSR count
205: ok 6220 # ring membership passed
205: ok 6221 # correct SSSR count
205: ok 6222 # ring membership passed
205: ok 6223 # correct SSSR count
205: ok 6224 # ring membership passed
205: ok 6225 # correct SSSR count
205: ok 6226 # ring membership passed
205: ok 6227 # correct ring bond data
205: ok 6228 # correct ring bond data
205: ok 6229 # correct ring bond data
205: ok 6230 # correct ring bond data
205: ok 6231 # correct ring bond data
205: ok 6232 # correct ring bond data
205: ok 6233 # correct ring bond data
205: ok 6234 # correct ring bond data
205: ok 6235 # correct ring bond data
205: ok 6236 # correct ring bond data
205: ok 6237 # correct ring bond data
205: ok 6238 # correct ring bond data
205: ok 6239 # correct ring bond data
205: ok 6240 # correct ring bond data
205: ok 6241 # correct ring bond data
205: ok 6242 # correct ring bond data
205: ok 6243 # correct ring bond data
205: ok 6244 # correct ring bond data
205: ok 6245 # SSSR size matches reference
205: ok 6246 # correct SSSR count
205: ok 6247 # ring membership passed
205: ok 6248 # correct SSSR count
205: ok 6249 # ring membership passed
205: ok 6250 # correct SSSR count
205: ok 6251 # ring membership passed
205: ok 6252 # correct SSSR count
205: ok 6253 # ring membership passed
205: ok 6254 # correct SSSR count
205: ok 6255 # ring membership passed
205: ok 6256 # correct SSSR count
205: ok 6257 # ring membership passed
205: ok 6258 # correct SSSR count
205: ok 6259 # ring membership passed
205: ok 6260 # correct SSSR count
205: ok 6261 # ring membership passed
205: ok 6262 # correct SSSR count
205: ok 6263 # ring membership passed
205: ok 6264 # correct SSSR count
205: ok 6265 # ring membership passed
205: ok 6266 # correct SSSR count
205: ok 6267 # ring membership passed
205: ok 6268 # correct SSSR count
205: ok 6269 # ring membership passed
205: ok 6270 # correct SSSR count
205: ok 6271 # ring membership passed
205: ok 6272 # correct SSSR count
205: ok 6273 # ring membership passed
205: ok 6274 # correct SSSR count
205: ok 6275 # ring membership passed
205: ok 6276 # correct SSSR count
205: ok 6277 # ring membership passed
205: ok 6278 # correct SSSR count
205: ok 6279 # ring membership passed
205: ok 6280 # correct ring bond data
205: ok 6281 # correct ring bond data
205: ok 6282 # correct ring bond data
205: ok 6283 # correct ring bond data
205: ok 6284 # correct ring bond data
205: ok 6285 # correct ring bond data
205: ok 6286 # correct ring bond data
205: ok 6287 # correct ring bond data
205: ok 6288 # correct ring bond data
205: ok 6289 # correct ring bond data
205: ok 6290 # correct ring bond data
205: ok 6291 # correct ring bond data
205: ok 6292 # correct ring bond data
205: ok 6293 # correct ring bond data
205: ok 6294 # correct ring bond data
205: ok 6295 # correct ring bond data
205: ok 6296 # correct ring bond data
205: ok 6297 # correct ring bond data
205: ok 6298 # correct ring bond data
205: ok 6299 # correct ring bond data
205: ok 6300 # correct ring bond data
205: ok 6301 # correct ring bond data
205: ok 6302 # correct ring bond data
205: ok 6303 # correct ring bond data
205: ok 6304 # SSSR size matches reference
205: ok 6305 # correct SSSR count
205: ok 6306 # ring membership passed
205: ok 6307 # correct SSSR count
205: ok 6308 # ring membership passed
205: ok 6309 # correct SSSR count
205: ok 6310 # ring membership passed
205: ok 6311 # correct SSSR count
205: ok 6312 # ring membership passed
205: ok 6313 # correct SSSR count
205: ok 6314 # ring membership passed
205: ok 6315 # correct SSSR count
205: ok 6316 # ring membership passed
205: ok 6317 # correct SSSR count
205: ok 6318 # ring membership passed
205: ok 6319 # correct SSSR count
205: ok 6320 # ring membership passed
205: ok 6321 # correct SSSR count
205: ok 6322 # ring membership passed
205: ok 6323 # correct SSSR count
205: ok 6324 # ring membership passed
205: ok 6325 # correct SSSR count
205: ok 6326 # ring membership passed
205: ok 6327 # correct SSSR count
205: ok 6328 # ring membership passed
205: ok 6329 # correct SSSR count
205: ok 6330 # ring membership passed
205: ok 6331 # correct SSSR count
205: ok 6332 # ring membership passed
205: ok 6333 # correct SSSR count
205: ok 6334 # ring membership passed
205: ok 6335 # correct SSSR count
205: ok 6336 # ring membership passed
205: ok 6337 # correct SSSR count
205: ok 6338 # ring membership passed
205: ok 6339 # correct SSSR count
205: ok 6340 # ring membership passed
205: ok 6341 # correct SSSR count
205: ok 6342 # ring membership passed
205: ok 6343 # correct SSSR count
205: ok 6344 # ring membership passed
205: ok 6345 # correct SSSR count
205: ok 6346 # ring membership passed
205: ok 6347 # correct SSSR count
205: ok 6348 # ring membership passed
205: ok 6349 # correct SSSR count
205: ok 6350 # ring membership passed
205: ok 6351 # correct ring bond data
205: ok 6352 # correct ring bond data
205: ok 6353 # correct ring bond data
205: ok 6354 # correct ring bond data
205: ok 6355 # correct ring bond data
205: ok 6356 # correct ring bond data
205: ok 6357 # correct ring bond data
205: ok 6358 # correct ring bond data
205: ok 6359 # correct ring bond data
205: ok 6360 # correct ring bond data
205: ok 6361 # correct ring bond data
205: ok 6362 # correct ring bond data
205: ok 6363 # correct ring bond data
205: ok 6364 # correct ring bond data
205: ok 6365 # correct ring bond data
205: ok 6366 # correct ring bond data
205: ok 6367 # correct ring bond data
205: ok 6368 # correct ring bond data
205: ok 6369 # correct ring bond data
205: ok 6370 # correct ring bond data
205: ok 6371 # correct ring bond data
205: ok 6372 # SSSR size matches reference
205: ok 6373 # correct SSSR count
205: ok 6374 # ring membership passed
205: ok 6375 # correct SSSR count
205: ok 6376 # ring membership passed
205: ok 6377 # correct SSSR count
205: ok 6378 # ring membership passed
205: ok 6379 # correct SSSR count
205: ok 6380 # ring membership passed
205: ok 6381 # correct SSSR count
205: ok 6382 # ring membership passed
205: ok 6383 # correct SSSR count
205: ok 6384 # ring membership passed
205: ok 6385 # correct SSSR count
205: ok 6386 # ring membership passed
205: ok 6387 # correct SSSR count
205: ok 6388 # ring membership passed
205: ok 6389 # correct SSSR count
205: ok 6390 # ring membership passed
205: ok 6391 # correct SSSR count
205: ok 6392 # ring membership passed
205: ok 6393 # correct SSSR count
205: ok 6394 # ring membership passed
205: ok 6395 # correct SSSR count
205: ok 6396 # ring membership passed
205: ok 6397 # correct SSSR count
205: ok 6398 # ring membership passed
205: ok 6399 # correct SSSR count
205: ok 6400 # ring membership passed
205: ok 6401 # correct SSSR count
205: ok 6402 # ring membership passed
205: ok 6403 # correct SSSR count
205: ok 6404 # ring membership passed
205: ok 6405 # correct SSSR count
205: ok 6406 # ring membership passed
205: ok 6407 # correct SSSR count
205: ok 6408 # ring membership passed
205: ok 6409 # correct SSSR count
205: ok 6410 # ring membership passed
205: ok 6411 # correct SSSR count
205: ok 6412 # ring membership passed
205: ok 6413 # correct ring bond data
205: ok 6414 # correct ring bond data
205: ok 6415 # correct ring bond data
205: ok 6416 # correct ring bond data
205: ok 6417 # correct ring bond data
205: ok 6418 # correct ring bond data
205: ok 6419 # correct ring bond data
205: ok 6420 # correct ring bond data
205: ok 6421 # correct ring bond data
205: ok 6422 # correct ring bond data
205: ok 6423 # correct ring bond data
205: ok 6424 # correct ring bond data
205: ok 6425 # correct ring bond data
205: ok 6426 # correct ring bond data
205: ok 6427 # correct ring bond data
205: ok 6428 # correct ring bond data
205: ok 6429 # correct ring bond data
205: ok 6430 # correct ring bond data
205: ok 6431 # correct ring bond data
205: ok 6432 # correct ring bond data
205: ok 6433 # correct ring bond data
205: ok 6434 # correct ring bond data
205: ok 6435 # correct ring bond data
205: ok 6436 # correct ring bond data
205: ok 6437 # correct ring bond data
205: ok 6438 # correct ring bond data
205: ok 6439 # correct ring bond data
205: ok 6440 # SSSR size matches reference
205: ok 6441 # correct SSSR count
205: ok 6442 # ring membership passed
205: ok 6443 # correct SSSR count
205: ok 6444 # ring membership passed
205: ok 6445 # correct SSSR count
205: ok 6446 # ring membership passed
205: ok 6447 # correct SSSR count
205: ok 6448 # ring membership passed
205: ok 6449 # correct SSSR count
205: ok 6450 # ring membership passed
205: ok 6451 # correct SSSR count
205: ok 6452 # ring membership passed
205: ok 6453 # correct SSSR count
205: ok 6454 # ring membership passed
205: ok 6455 # correct SSSR count
205: ok 6456 # ring membership passed
205: ok 6457 # correct SSSR count
205: ok 6458 # ring membership passed
205: ok 6459 # correct SSSR count
205: ok 6460 # ring membership passed
205: ok 6461 # correct SSSR count
205: ok 6462 # ring membership passed
205: ok 6463 # correct SSSR count
205: ok 6464 # ring membership passed
205: ok 6465 # correct SSSR count
205: ok 6466 # ring membership passed
205: ok 6467 # correct SSSR count
205: ok 6468 # ring membership passed
205: ok 6469 # correct SSSR count
205: ok 6470 # ring membership passed
205: ok 6471 # correct SSSR count
205: ok 6472 # ring membership passed
205: ok 6473 # correct SSSR count
205: ok 6474 # ring membership passed
205: ok 6475 # correct SSSR count
205: ok 6476 # ring membership passed
205: ok 6477 # correct SSSR count
205: ok 6478 # ring membership passed
205: ok 6479 # correct SSSR count
205: ok 6480 # ring membership passed
205: ok 6481 # correct SSSR count
205: ok 6482 # ring membership passed
205: ok 6483 # correct SSSR count
205: ok 6484 # ring membership passed
205: ok 6485 # correct SSSR count
205: ok 6486 # ring membership passed
205: ok 6487 # correct SSSR count
205: ok 6488 # ring membership passed
205: ok 6489 # correct SSSR count
205: ok 6490 # ring membership passed
205: ok 6491 # correct ring bond data
205: ok 6492 # correct ring bond data
205: ok 6493 # correct ring bond data
205: ok 6494 # correct ring bond data
205: ok 6495 # correct ring bond data
205: ok 6496 # correct ring bond data
205: ok 6497 # correct ring bond data
205: ok 6498 # correct ring bond data
205: ok 6499 # correct ring bond data
205: ok 6500 # correct ring bond data
205: ok 6501 # correct ring bond data
205: ok 6502 # correct ring bond data
205: ok 6503 # correct ring bond data
205: ok 6504 # correct ring bond data
205: ok 6505 # correct ring bond data
205: ok 6506 # SSSR size matches reference
205: ok 6507 # correct SSSR count
205: ok 6508 # ring membership passed
205: ok 6509 # correct SSSR count
205: ok 6510 # ring membership passed
205: ok 6511 # correct SSSR count
205: ok 6512 # ring membership passed
205: ok 6513 # correct SSSR count
205: ok 6514 # ring membership passed
205: ok 6515 # correct SSSR count
205: ok 6516 # ring membership passed
205: ok 6517 # correct SSSR count
205: ok 6518 # ring membership passed
205: ok 6519 # correct SSSR count
205: ok 6520 # ring membership passed
205: ok 6521 # correct SSSR count
205: ok 6522 # ring membership passed
205: ok 6523 # correct SSSR count
205: ok 6524 # ring membership passed
205: ok 6525 # correct SSSR count
205: ok 6526 # ring membership passed
205: ok 6527 # correct SSSR count
205: ok 6528 # ring membership passed
205: ok 6529 # correct SSSR count
205: ok 6530 # ring membership passed
205: ok 6531 # correct SSSR count
205: ok 6532 # ring membership passed
205: ok 6533 # correct SSSR count
205: ok 6534 # ring membership passed
205: ok 6535 # correct SSSR count
205: ok 6536 # ring membership passed
205: ok 6537 # correct ring bond data
205: ok 6538 # correct ring bond data
205: ok 6539 # correct ring bond data
205: ok 6540 # correct ring bond data
205: ok 6541 # correct ring bond data
205: ok 6542 # correct ring bond data
205: ok 6543 # correct ring bond data
205: ok 6544 # correct ring bond data
205: ok 6545 # correct ring bond data
205: ok 6546 # correct ring bond data
205: ok 6547 # correct ring bond data
205: ok 6548 # correct ring bond data
205: ok 6549 # correct ring bond data
205: ok 6550 # correct ring bond data
205: ok 6551 # correct ring bond data
205: ok 6552 # correct ring bond data
205: ok 6553 # correct ring bond data
205: ok 6554 # correct ring bond data
205: ok 6555 # correct ring bond data
205: ok 6556 # correct ring bond data
205: ok 6557 # SSSR size matches reference
205: ok 6558 # correct SSSR count
205: ok 6559 # ring membership passed
205: ok 6560 # correct SSSR count
205: ok 6561 # ring membership passed
205: ok 6562 # correct SSSR count
205: ok 6563 # ring membership passed
205: ok 6564 # correct SSSR count
205: ok 6565 # ring membership passed
205: ok 6566 # correct SSSR count
205: ok 6567 # ring membership passed
205: ok 6568 # correct SSSR count
205: ok 6569 # ring membership passed
205: ok 6570 # correct SSSR count
205: ok 6571 # ring membership passed
205: ok 6572 # correct SSSR count
205: ok 6573 # ring membership passed
205: ok 6574 # correct SSSR count
205: ok 6575 # ring membership passed
205: ok 6576 # correct SSSR count
205: ok 6577 # ring membership passed
205: ok 6578 # correct SSSR count
205: ok 6579 # ring membership passed
205: ok 6580 # correct SSSR count
205: ok 6581 # ring membership passed
205: ok 6582 # correct SSSR count
205: ok 6583 # ring membership passed
205: ok 6584 # correct SSSR count
205: ok 6585 # ring membership passed
205: ok 6586 # correct SSSR count
205: ok 6587 # ring membership passed
205: ok 6588 # correct SSSR count
205: ok 6589 # ring membership passed
205: ok 6590 # correct SSSR count
205: ok 6591 # ring membership passed
205: ok 6592 # correct SSSR count
205: ok 6593 # ring membership passed
205: ok 6594 # correct SSSR count
205: ok 6595 # ring membership passed
205: ok 6596 # correct ring bond data
205: ok 6597 # correct ring bond data
205: ok 6598 # correct ring bond data
205: ok 6599 # correct ring bond data
205: ok 6600 # correct ring bond data
205: ok 6601 # correct ring bond data
205: ok 6602 # correct ring bond data
205: ok 6603 # correct ring bond data
205: ok 6604 # correct ring bond data
205: ok 6605 # correct ring bond data
205: ok 6606 # correct ring bond data
205: ok 6607 # correct ring bond data
205: ok 6608 # correct ring bond data
205: ok 6609 # correct ring bond data
205: ok 6610 # SSSR size matches reference
205: ok 6611 # correct SSSR count
205: ok 6612 # ring membership passed
205: ok 6613 # correct SSSR count
205: ok 6614 # ring membership passed
205: ok 6615 # correct SSSR count
205: ok 6616 # ring membership passed
205: ok 6617 # correct SSSR count
205: ok 6618 # ring membership passed
205: ok 6619 # correct SSSR count
205: ok 6620 # ring membership passed
205: ok 6621 # correct SSSR count
205: ok 6622 # ring membership passed
205: ok 6623 # correct SSSR count
205: ok 6624 # ring membership passed
205: ok 6625 # correct SSSR count
205: ok 6626 # ring membership passed
205: ok 6627 # correct SSSR count
205: ok 6628 # ring membership passed
205: ok 6629 # correct SSSR count
205: ok 6630 # ring membership passed
205: ok 6631 # correct SSSR count
205: ok 6632 # ring membership passed
205: ok 6633 # correct SSSR count
205: ok 6634 # ring membership passed
205: ok 6635 # correct SSSR count
205: ok 6636 # ring membership passed
205: ok 6637 # correct SSSR count
205: ok 6638 # ring membership passed
205: ok 6639 # correct ring bond data
205: ok 6640 # correct ring bond data
205: ok 6641 # correct ring bond data
205: ok 6642 # correct ring bond data
205: ok 6643 # correct ring bond data
205: ok 6644 # correct ring bond data
205: ok 6645 # correct ring bond data
205: ok 6646 # correct ring bond data
205: ok 6647 # correct ring bond data
205: ok 6648 # correct ring bond data
205: ok 6649 # correct ring bond data
205: ok 6650 # correct ring bond data
205: ok 6651 # correct ring bond data
205: ok 6652 # correct ring bond data
205: ok 6653 # SSSR size matches reference
205: ok 6654 # correct SSSR count
205: ok 6655 # ring membership passed
205: ok 6656 # correct SSSR count
205: ok 6657 # ring membership passed
205: ok 6658 # correct SSSR count
205: ok 6659 # ring membership passed
205: ok 6660 # correct SSSR count
205: ok 6661 # ring membership passed
205: ok 6662 # correct SSSR count
205: ok 6663 # ring membership passed
205: ok 6664 # correct SSSR count
205: ok 6665 # ring membership passed
205: ok 6666 # correct SSSR count
205: ok 6667 # ring membership passed
205: ok 6668 # correct SSSR count
205: ok 6669 # ring membership passed
205: ok 6670 # correct SSSR count
205: ok 6671 # ring membership passed
205: ok 6672 # correct SSSR count
205: ok 6673 # ring membership passed
205: ok 6674 # correct SSSR count
205: ok 6675 # ring membership passed
205: ok 6676 # correct SSSR count
205: ok 6677 # ring membership passed
205: ok 6678 # correct SSSR count
205: ok 6679 # ring membership passed
205: ok 6680 # correct SSSR count
205: ok 6681 # ring membership passed
205: ok 6682 # correct ring bond data
205: ok 6683 # correct ring bond data
205: ok 6684 # correct ring bond data
205: ok 6685 # correct ring bond data
205: ok 6686 # correct ring bond data
205: ok 6687 # correct ring bond data
205: ok 6688 # correct ring bond data
205: ok 6689 # correct ring bond data
205: ok 6690 # correct ring bond data
205: ok 6691 # correct ring bond data
205: ok 6692 # correct ring bond data
205: ok 6693 # correct ring bond data
205: ok 6694 # correct ring bond data
205: ok 6695 # correct ring bond data
205: ok 6696 # correct ring bond data
205: ok 6697 # correct ring bond data
205: ok 6698 # correct ring bond data
205: ok 6699 # SSSR size matches reference
205: ok 6700 # correct SSSR count
205: ok 6701 # ring membership passed
205: ok 6702 # correct SSSR count
205: ok 6703 # ring membership passed
205: ok 6704 # correct SSSR count
205: ok 6705 # ring membership passed
205: ok 6706 # correct SSSR count
205: ok 6707 # ring membership passed
205: ok 6708 # correct SSSR count
205: ok 6709 # ring membership passed
205: ok 6710 # correct SSSR count
205: ok 6711 # ring membership passed
205: ok 6712 # correct SSSR count
205: ok 6713 # ring membership passed
205: ok 6714 # correct SSSR count
205: ok 6715 # ring membership passed
205: ok 6716 # correct SSSR count
205: ok 6717 # ring membership passed
205: ok 6718 # correct SSSR count
205: ok 6719 # ring membership passed
205: ok 6720 # correct SSSR count
205: ok 6721 # ring membership passed
205: ok 6722 # correct SSSR count
205: ok 6723 # ring membership passed
205: ok 6724 # correct SSSR count
205: ok 6725 # ring membership passed
205: ok 6726 # correct SSSR count
205: ok 6727 # ring membership passed
205: ok 6728 # correct SSSR count
205: ok 6729 # ring membership passed
205: ok 6730 # correct SSSR count
205: ok 6731 # ring membership passed
205: ok 6732 # correct SSSR count
205: ok 6733 # ring membership passed
205: ok 6734 # correct ring bond data
205: ok 6735 # correct ring bond data
205: ok 6736 # correct ring bond data
205: ok 6737 # correct ring bond data
205: ok 6738 # correct ring bond data
205: ok 6739 # correct ring bond data
205: ok 6740 # correct ring bond data
205: ok 6741 # correct ring bond data
205: ok 6742 # correct ring bond data
205: ok 6743 # correct ring bond data
205: ok 6744 # correct ring bond data
205: ok 6745 # correct ring bond data
205: ok 6746 # correct ring bond data
205: ok 6747 # correct ring bond data
205: ok 6748 # correct ring bond data
205: ok 6749 # correct ring bond data
205: ok 6750 # correct ring bond data
205: ok 6751 # correct ring bond data
205: ok 6752 # correct ring bond data
205: ok 6753 # correct ring bond data
205: ok 6754 # correct ring bond data
205: ok 6755 # correct ring bond data
205: ok 6756 # correct ring bond data
205: ok 6757 # correct ring bond data
205: ok 6758 # correct ring bond data
205: ok 6759 # correct ring bond data
205: ok 6760 # correct ring bond data
205: ok 6761 # correct ring bond data
205: ok 6762 # SSSR size matches reference
205: ok 6763 # correct SSSR count
205: ok 6764 # ring membership passed
205: ok 6765 # correct SSSR count
205: ok 6766 # ring membership passed
205: ok 6767 # correct SSSR count
205: ok 6768 # ring membership passed
205: ok 6769 # correct SSSR count
205: ok 6770 # ring membership passed
205: ok 6771 # correct SSSR count
205: ok 6772 # ring membership passed
205: ok 6773 # correct SSSR count
205: ok 6774 # ring membership passed
205: ok 6775 # correct SSSR count
205: ok 6776 # ring membership passed
205: ok 6777 # correct SSSR count
205: ok 6778 # ring membership passed
205: ok 6779 # correct SSSR count
205: ok 6780 # ring membership passed
205: ok 6781 # correct SSSR count
205: ok 6782 # ring membership passed
205: ok 6783 # correct SSSR count
205: ok 6784 # ring membership passed
205: ok 6785 # correct SSSR count
205: ok 6786 # ring membership passed
205: ok 6787 # correct SSSR count
205: ok 6788 # ring membership passed
205: ok 6789 # correct SSSR count
205: ok 6790 # ring membership passed
205: ok 6791 # correct SSSR count
205: ok 6792 # ring membership passed
205: ok 6793 # correct SSSR count
205: ok 6794 # ring membership passed
205: ok 6795 # correct SSSR count
205: ok 6796 # ring membership passed
205: ok 6797 # correct SSSR count
205: ok 6798 # ring membership passed
205: ok 6799 # correct SSSR count
205: ok 6800 # ring membership passed
205: ok 6801 # correct SSSR count
205: ok 6802 # ring membership passed
205: ok 6803 # correct SSSR count
205: ok 6804 # ring membership passed
205: ok 6805 # correct SSSR count
205: ok 6806 # ring membership passed
205: ok 6807 # correct SSSR count
205: ok 6808 # ring membership passed
205: ok 6809 # correct SSSR count
205: ok 6810 # ring membership passed
205: ok 6811 # correct SSSR count
205: ok 6812 # ring membership passed
205: ok 6813 # correct SSSR count
205: ok 6814 # ring membership passed
205: ok 6815 # correct ring bond data
205: ok 6816 # correct ring bond data
205: ok 6817 # correct ring bond data
205: ok 6818 # correct ring bond data
205: ok 6819 # correct ring bond data
205: ok 6820 # correct ring bond data
205: ok 6821 # correct ring bond data
205: ok 6822 # correct ring bond data
205: ok 6823 # correct ring bond data
205: ok 6824 # correct ring bond data
205: ok 6825 # correct ring bond data
205: ok 6826 # correct ring bond data
205: ok 6827 # correct ring bond data
205: ok 6828 # correct ring bond data
205: ok 6829 # correct ring bond data
205: ok 6830 # correct ring bond data
205: ok 6831 # correct ring bond data
205: ok 6832 # correct ring bond data
205: ok 6833 # correct ring bond data
205: ok 6834 # correct ring bond data
205: ok 6835 # correct ring bond data
205: ok 6836 # correct ring bond data
205: ok 6837 # correct ring bond data
205: ok 6838 # correct ring bond data
205: ok 6839 # correct ring bond data
205: ok 6840 # correct ring bond data
205: ok 6841 # SSSR size matches reference
205: ok 6842 # correct SSSR count
205: ok 6843 # ring membership passed
205: ok 6844 # correct SSSR count
205: ok 6845 # ring membership passed
205: ok 6846 # correct SSSR count
205: ok 6847 # ring membership passed
205: ok 6848 # correct SSSR count
205: ok 6849 # ring membership passed
205: ok 6850 # correct SSSR count
205: ok 6851 # ring membership passed
205: ok 6852 # correct SSSR count
205: ok 6853 # ring membership passed
205: ok 6854 # correct SSSR count
205: ok 6855 # ring membership passed
205: ok 6856 # correct SSSR count
205: ok 6857 # ring membership passed
205: ok 6858 # correct SSSR count
205: ok 6859 # ring membership passed
205: ok 6860 # correct SSSR count
205: ok 6861 # ring membership passed
205: ok 6862 # correct SSSR count
205: ok 6863 # ring membership passed
205: ok 6864 # correct SSSR count
205: ok 6865 # ring membership passed
205: ok 6866 # correct SSSR count
205: ok 6867 # ring membership passed
205: ok 6868 # correct SSSR count
205: ok 6869 # ring membership passed
205: ok 6870 # correct SSSR count
205: ok 6871 # ring membership passed
205: ok 6872 # correct SSSR count
205: ok 6873 # ring membership passed
205: ok 6874 # correct SSSR count
205: ok 6875 # ring membership passed
205: ok 6876 # correct SSSR count
205: ok 6877 # ring membership passed
205: ok 6878 # correct SSSR count
205: ok 6879 # ring membership passed
205: ok 6880 # correct SSSR count
205: ok 6881 # ring membership passed
205: ok 6882 # correct SSSR count
205: ok 6883 # ring membership passed
205: ok 6884 # correct SSSR count
205: ok 6885 # ring membership passed
205: ok 6886 # correct SSSR count
205: ok 6887 # ring membership passed
205: ok 6888 # correct SSSR count
205: ok 6889 # ring membership passed
205: ok 6890 # correct ring bond data
205: ok 6891 # correct ring bond data
205: ok 6892 # correct ring bond data
205: ok 6893 # correct ring bond data
205: ok 6894 # correct ring bond data
205: ok 6895 # correct ring bond data
205: ok 6896 # correct ring bond data
205: ok 6897 # correct ring bond data
205: ok 6898 # correct ring bond data
205: ok 6899 # correct ring bond data
205: ok 6900 # correct ring bond data
205: ok 6901 # correct ring bond data
205: ok 6902 # correct ring bond data
205: ok 6903 # correct ring bond data
205: ok 6904 # SSSR size matches reference
205: ok 6905 # correct SSSR count
205: ok 6906 # ring membership passed
205: ok 6907 # correct SSSR count
205: ok 6908 # ring membership passed
205: ok 6909 # correct SSSR count
205: ok 6910 # ring membership passed
205: ok 6911 # correct SSSR count
205: ok 6912 # ring membership passed
205: ok 6913 # correct SSSR count
205: ok 6914 # ring membership passed
205: ok 6915 # correct SSSR count
205: ok 6916 # ring membership passed
205: ok 6917 # correct SSSR count
205: ok 6918 # ring membership passed
205: ok 6919 # correct SSSR count
205: ok 6920 # ring membership passed
205: ok 6921 # correct SSSR count
205: ok 6922 # ring membership passed
205: ok 6923 # correct SSSR count
205: ok 6924 # ring membership passed
205: ok 6925 # correct SSSR count
205: ok 6926 # ring membership passed
205: ok 6927 # correct SSSR count
205: ok 6928 # ring membership passed
205: ok 6929 # correct SSSR count
205: ok 6930 # ring membership passed
205: ok 6931 # correct SSSR count
205: ok 6932 # ring membership passed
205: ok 6933 # correct ring bond data
205: ok 6934 # correct ring bond data
205: ok 6935 # correct ring bond data
205: ok 6936 # correct ring bond data
205: ok 6937 # correct ring bond data
205: ok 6938 # correct ring bond data
205: ok 6939 # correct ring bond data
205: ok 6940 # correct ring bond data
205: ok 6941 # correct ring bond data
205: ok 6942 # correct ring bond data
205: ok 6943 # correct ring bond data
205: ok 6944 # correct ring bond data
205: ok 6945 # correct ring bond data
205: ok 6946 # correct ring bond data
205: ok 6947 # correct ring bond data
205: ok 6948 # correct ring bond data
205: ok 6949 # correct ring bond data
205: ok 6950 # correct ring bond data
205: ok 6951 # SSSR size matches reference
205: ok 6952 # correct SSSR count
205: ok 6953 # ring membership passed
205: ok 6954 # correct SSSR count
205: ok 6955 # ring membership passed
205: ok 6956 # correct SSSR count
205: ok 6957 # ring membership passed
205: ok 6958 # correct SSSR count
205: ok 6959 # ring membership passed
205: ok 6960 # correct SSSR count
205: ok 6961 # ring membership passed
205: ok 6962 # correct SSSR count
205: ok 6963 # ring membership passed
205: ok 6964 # correct SSSR count
205: ok 6965 # ring membership passed
205: ok 6966 # correct SSSR count
205: ok 6967 # ring membership passed
205: ok 6968 # correct SSSR count
205: ok 6969 # ring membership passed
205: ok 6970 # correct SSSR count
205: ok 6971 # ring membership passed
205: ok 6972 # correct SSSR count
205: ok 6973 # ring membership passed
205: ok 6974 # correct SSSR count
205: ok 6975 # ring membership passed
205: ok 6976 # correct SSSR count
205: ok 6977 # ring membership passed
205: ok 6978 # correct SSSR count
205: ok 6979 # ring membership passed
205: ok 6980 # correct SSSR count
205: ok 6981 # ring membership passed
205: ok 6982 # correct SSSR count
205: ok 6983 # ring membership passed
205: ok 6984 # correct SSSR count
205: ok 6985 # ring membership passed
205: ok 6986 # correct SSSR count
205: ok 6987 # ring membership passed
205: ok 6988 # correct ring bond data
205: ok 6989 # correct ring bond data
205: ok 6990 # correct ring bond data
205: ok 6991 # correct ring bond data
205: ok 6992 # correct ring bond data
205: ok 6993 # correct ring bond data
205: ok 6994 # correct ring bond data
205: ok 6995 # correct ring bond data
205: ok 6996 # correct ring bond data
205: ok 6997 # correct ring bond data
205: ok 6998 # correct ring bond data
205: ok 6999 # correct ring bond data
205: ok 7000 # correct ring bond data
205: ok 7001 # correct ring bond data
205: ok 7002 # correct ring bond data
205: ok 7003 # correct ring bond data
205: ok 7004 # correct ring bond data
205: ok 7005 # correct ring bond data
205: ok 7006 # correct ring bond data
205: ok 7007 # correct ring bond data
205: ok 7008 # correct ring bond data
205: ok 7009 # SSSR size matches reference
205: ok 7010 # correct SSSR count
205: ok 7011 # ring membership passed
205: ok 7012 # correct SSSR count
205: ok 7013 # ring membership passed
205: ok 7014 # correct SSSR count
205: ok 7015 # ring membership passed
205: ok 7016 # correct SSSR count
205: ok 7017 # ring membership passed
205: ok 7018 # correct SSSR count
205: ok 7019 # ring membership passed
205: ok 7020 # correct SSSR count
205: ok 7021 # ring membership passed
205: ok 7022 # correct SSSR count
205: ok 7023 # ring membership passed
205: ok 7024 # correct SSSR count
205: ok 7025 # ring membership passed
205: ok 7026 # correct SSSR count
205: ok 7027 # ring membership passed
205: ok 7028 # correct SSSR count
205: ok 7029 # ring membership passed
205: ok 7030 # correct SSSR count
205: ok 7031 # ring membership passed
205: ok 7032 # correct SSSR count
205: ok 7033 # ring membership passed
205: ok 7034 # correct SSSR count
205: ok 7035 # ring membership passed
205: ok 7036 # correct SSSR count
205: ok 7037 # ring membership passed
205: ok 7038 # correct SSSR count
205: ok 7039 # ring membership passed
205: ok 7040 # correct SSSR count
205: ok 7041 # ring membership passed
205: ok 7042 # correct SSSR count
205: ok 7043 # ring membership passed
205: ok 7044 # correct SSSR count
205: ok 7045 # ring membership passed
205: ok 7046 # correct SSSR count
205: ok 7047 # ring membership passed
205: ok 7048 # correct SSSR count
205: ok 7049 # ring membership passed
205: ok 7050 # correct ring bond data
205: ok 7051 # correct ring bond data
205: ok 7052 # correct ring bond data
205: ok 7053 # correct ring bond data
205: ok 7054 # correct ring bond data
205: ok 7055 # correct ring bond data
205: ok 7056 # correct ring bond data
205: ok 7057 # correct ring bond data
205: ok 7058 # correct ring bond data
205: ok 7059 # correct ring bond data
205: ok 7060 # correct ring bond data
205: ok 7061 # correct ring bond data
205: ok 7062 # correct ring bond data
205: ok 7063 # correct ring bond data
205: ok 7064 # correct ring bond data
205: ok 7065 # correct ring bond data
205: ok 7066 # correct ring bond data
205: ok 7067 # correct ring bond data
205: ok 7068 # correct ring bond data
205: ok 7069 # correct ring bond data
205: ok 7070 # correct ring bond data
205: ok 7071 # correct ring bond data
205: ok 7072 # correct ring bond data
205: ok 7073 # SSSR size matches reference
205: ok 7074 # correct SSSR count
205: ok 7075 # ring membership passed
205: ok 7076 # correct SSSR count
205: ok 7077 # ring membership passed
205: ok 7078 # correct SSSR count
205: ok 7079 # ring membership passed
205: ok 7080 # correct SSSR count
205: ok 7081 # ring membership passed
205: ok 7082 # correct SSSR count
205: ok 7083 # ring membership passed
205: ok 7084 # correct SSSR count
205: ok 7085 # ring membership passed
205: ok 7086 # correct SSSR count
205: ok 7087 # ring membership passed
205: ok 7088 # correct SSSR count
205: ok 7089 # ring membership passed
205: ok 7090 # correct SSSR count
205: ok 7091 # ring membership passed
205: ok 7092 # correct SSSR count
205: ok 7093 # ring membership passed
205: ok 7094 # correct SSSR count
205: ok 7095 # ring membership passed
205: ok 7096 # correct SSSR count
205: ok 7097 # ring membership passed
205: ok 7098 # correct SSSR count
205: ok 7099 # ring membership passed
205: ok 7100 # correct SSSR count
205: ok 7101 # ring membership passed
205: ok 7102 # correct SSSR count
205: ok 7103 # ring membership passed
205: ok 7104 # correct SSSR count
205: ok 7105 # ring membership passed
205: ok 7106 # correct SSSR count
205: ok 7107 # ring membership passed
205: ok 7108 # correct SSSR count
205: ok 7109 # ring membership passed
205: ok 7110 # correct SSSR count
205: ok 7111 # ring membership passed
205: ok 7112 # correct SSSR count
205: ok 7113 # ring membership passed
205: ok 7114 # correct ring bond data
205: ok 7115 # correct ring bond data
205: ok 7116 # correct ring bond data
205: ok 7117 # correct ring bond data
205: ok 7118 # correct ring bond data
205: ok 7119 # correct ring bond data
205: ok 7120 # correct ring bond data
205: ok 7121 # correct ring bond data
205: ok 7122 # correct ring bond data
205: ok 7123 # correct ring bond data
205: ok 7124 # correct ring bond data
205: ok 7125 # SSSR size matches reference
205: ok 7126 # correct SSSR count
205: ok 7127 # ring membership passed
205: ok 7128 # correct SSSR count
205: ok 7129 # ring membership passed
205: ok 7130 # correct SSSR count
205: ok 7131 # ring membership passed
205: ok 7132 # correct SSSR count
205: ok 7133 # ring membership passed
205: ok 7134 # correct SSSR count
205: ok 7135 # ring membership passed
205: ok 7136 # correct SSSR count
205: ok 7137 # ring membership passed
205: ok 7138 # correct SSSR count
205: ok 7139 # ring membership passed
205: ok 7140 # correct SSSR count
205: ok 7141 # ring membership passed
205: ok 7142 # correct SSSR count
205: ok 7143 # ring membership passed
205: ok 7144 # correct SSSR count
205: ok 7145 # ring membership passed
205: ok 7146 # correct SSSR count
205: ok 7147 # ring membership passed
205: ok 7148 # correct SSSR count
205: ok 7149 # ring membership passed
205: ok 7150 # correct ring bond data
205: ok 7151 # correct ring bond data
205: ok 7152 # correct ring bond data
205: ok 7153 # correct ring bond data
205: ok 7154 # correct ring bond data
205: ok 7155 # correct ring bond data
205: ok 7156 # correct ring bond data
205: ok 7157 # correct ring bond data
205: ok 7158 # correct ring bond data
205: ok 7159 # correct ring bond data
205: ok 7160 # correct ring bond data
205: ok 7161 # correct ring bond data
205: ok 7162 # correct ring bond data
205: ok 7163 # correct ring bond data
205: ok 7164 # correct ring bond data
205: ok 7165 # correct ring bond data
205: ok 7166 # correct ring bond data
205: ok 7167 # correct ring bond data
205: ok 7168 # correct ring bond data
205: ok 7169 # correct ring bond data
205: ok 7170 # correct ring bond data
205: ok 7171 # correct ring bond data
205: ok 7172 # correct ring bond data
205: ok 7173 # correct ring bond data
205: ok 7174 # correct ring bond data
205: ok 7175 # correct ring bond data
205: ok 7176 # correct ring bond data
205: ok 7177 # correct ring bond data
205: ok 7178 # correct ring bond data
205: ok 7179 # correct ring bond data
205: ok 7180 # SSSR size matches reference
205: ok 7181 # correct SSSR count
205: ok 7182 # ring membership passed
205: ok 7183 # correct SSSR count
205: ok 7184 # ring membership passed
205: ok 7185 # correct SSSR count
205: ok 7186 # ring membership passed
205: ok 7187 # correct SSSR count
205: ok 7188 # ring membership passed
205: ok 7189 # correct SSSR count
205: ok 7190 # ring membership passed
205: ok 7191 # correct SSSR count
205: ok 7192 # ring membership passed
205: ok 7193 # correct SSSR count
205: ok 7194 # ring membership passed
205: ok 7195 # correct SSSR count
205: ok 7196 # ring membership passed
205: ok 7197 # correct SSSR count
205: ok 7198 # ring membership passed
205: ok 7199 # correct SSSR count
205: ok 7200 # ring membership passed
205: ok 7201 # correct SSSR count
205: ok 7202 # ring membership passed
205: ok 7203 # correct SSSR count
205: ok 7204 # ring membership passed
205: ok 7205 # correct SSSR count
205: ok 7206 # ring membership passed
205: ok 7207 # correct SSSR count
205: ok 7208 # ring membership passed
205: ok 7209 # correct SSSR count
205: ok 7210 # ring membership passed
205: ok 7211 # correct SSSR count
205: ok 7212 # ring membership passed
205: ok 7213 # correct SSSR count
205: ok 7214 # ring membership passed
205: ok 7215 # correct SSSR count
205: ok 7216 # ring membership passed
205: ok 7217 # correct SSSR count
205: ok 7218 # ring membership passed
205: ok 7219 # correct SSSR count
205: ok 7220 # ring membership passed
205: ok 7221 # correct SSSR count
205: ok 7222 # ring membership passed
205: ok 7223 # correct SSSR count
205: ok 7224 # ring membership passed
205: ok 7225 # correct SSSR count
205: ok 7226 # ring membership passed
205: ok 7227 # correct SSSR count
205: ok 7228 # ring membership passed
205: ok 7229 # correct SSSR count
205: ok 7230 # ring membership passed
205: ok 7231 # correct SSSR count
205: ok 7232 # ring membership passed
205: ok 7233 # correct ring bond data
205: ok 7234 # correct ring bond data
205: ok 7235 # correct ring bond data
205: ok 7236 # correct ring bond data
205: ok 7237 # correct ring bond data
205: ok 7238 # correct ring bond data
205: ok 7239 # correct ring bond data
205: ok 7240 # correct ring bond data
205: ok 7241 # correct ring bond data
205: ok 7242 # correct ring bond data
205: ok 7243 # correct ring bond data
205: ok 7244 # correct ring bond data
205: ok 7245 # SSSR size matches reference
205: ok 7246 # correct SSSR count
205: ok 7247 # ring membership passed
205: ok 7248 # correct SSSR count
205: ok 7249 # ring membership passed
205: ok 7250 # correct SSSR count
205: ok 7251 # ring membership passed
205: ok 7252 # correct SSSR count
205: ok 7253 # ring membership passed
205: ok 7254 # correct SSSR count
205: ok 7255 # ring membership passed
205: ok 7256 # correct SSSR count
205: ok 7257 # ring membership passed
205: ok 7258 # correct SSSR count
205: ok 7259 # ring membership passed
205: ok 7260 # correct SSSR count
205: ok 7261 # ring membership passed
205: ok 7262 # correct SSSR count
205: ok 7263 # ring membership passed
205: ok 7264 # correct SSSR count
205: ok 7265 # ring membership passed
205: ok 7266 # correct SSSR count
205: ok 7267 # ring membership passed
205: ok 7268 # correct ring bond data
205: ok 7269 # correct ring bond data
205: ok 7270 # correct ring bond data
205: ok 7271 # correct ring bond data
205: ok 7272 # correct ring bond data
205: ok 7273 # correct ring bond data
205: ok 7274 # correct ring bond data
205: ok 7275 # correct ring bond data
205: ok 7276 # correct ring bond data
205: ok 7277 # correct ring bond data
205: ok 7278 # correct ring bond data
205: ok 7279 # correct ring bond data
205: ok 7280 # correct ring bond data
205: ok 7281 # correct ring bond data
205: ok 7282 # correct ring bond data
205: ok 7283 # correct ring bond data
205: ok 7284 # correct ring bond data
205: ok 7285 # correct ring bond data
205: ok 7286 # correct ring bond data
205: ok 7287 # correct ring bond data
205: ok 7288 # correct ring bond data
205: ok 7289 # correct ring bond data
205: ok 7290 # correct ring bond data
205: ok 7291 # SSSR size matches reference
205: ok 7292 # correct SSSR count
205: ok 7293 # ring membership passed
205: ok 7294 # correct SSSR count
205: ok 7295 # ring membership passed
205: ok 7296 # correct SSSR count
205: ok 7297 # ring membership passed
205: ok 7298 # correct SSSR count
205: ok 7299 # ring membership passed
205: ok 7300 # correct SSSR count
205: ok 7301 # ring membership passed
205: ok 7302 # correct SSSR count
205: ok 7303 # ring membership passed
205: ok 7304 # correct SSSR count
205: ok 7305 # ring membership passed
205: ok 7306 # correct SSSR count
205: ok 7307 # ring membership passed
205: ok 7308 # correct SSSR count
205: ok 7309 # ring membership passed
205: ok 7310 # correct SSSR count
205: ok 7311 # ring membership passed
205: ok 7312 # correct SSSR count
205: ok 7313 # ring membership passed
205: ok 7314 # correct SSSR count
205: ok 7315 # ring membership passed
205: ok 7316 # correct SSSR count
205: ok 7317 # ring membership passed
205: ok 7318 # correct SSSR count
205: ok 7319 # ring membership passed
205: ok 7320 # correct SSSR count
205: ok 7321 # ring membership passed
205: ok 7322 # correct SSSR count
205: ok 7323 # ring membership passed
205: ok 7324 # correct SSSR count
205: ok 7325 # ring membership passed
205: ok 7326 # correct SSSR count
205: ok 7327 # ring membership passed
205: ok 7328 # correct SSSR count
205: ok 7329 # ring membership passed
205: ok 7330 # correct SSSR count
205: ok 7331 # ring membership passed
205: ok 7332 # correct ring bond data
205: ok 7333 # correct ring bond data
205: ok 7334 # correct ring bond data
205: ok 7335 # correct ring bond data
205: ok 7336 # correct ring bond data
205: ok 7337 # correct ring bond data
205: ok 7338 # correct ring bond data
205: ok 7339 # correct ring bond data
205: ok 7340 # correct ring bond data
205: ok 7341 # correct ring bond data
205: ok 7342 # correct ring bond data
205: ok 7343 # correct ring bond data
205: ok 7344 # correct ring bond data
205: ok 7345 # SSSR size matches reference
205: ok 7346 # correct SSSR count
205: ok 7347 # ring membership passed
205: ok 7348 # correct SSSR count
205: ok 7349 # ring membership passed
205: ok 7350 # correct SSSR count
205: ok 7351 # ring membership passed
205: ok 7352 # correct SSSR count
205: ok 7353 # ring membership passed
205: ok 7354 # correct SSSR count
205: ok 7355 # ring membership passed
205: ok 7356 # correct SSSR count
205: ok 7357 # ring membership passed
205: ok 7358 # correct SSSR count
205: ok 7359 # ring membership passed
205: ok 7360 # correct SSSR count
205: ok 7361 # ring membership passed
205: ok 7362 # correct SSSR count
205: ok 7363 # ring membership passed
205: ok 7364 # correct SSSR count
205: ok 7365 # ring membership passed
205: ok 7366 # correct SSSR count
205: ok 7367 # ring membership passed
205: ok 7368 # correct SSSR count
205: ok 7369 # ring membership passed
205: ok 7370 # correct SSSR count
205: ok 7371 # ring membership passed
205: ok 7372 # correct SSSR count
205: ok 7373 # ring membership passed
205: ok 7374 # correct ring bond data
205: ok 7375 # correct ring bond data
205: ok 7376 # correct ring bond data
205: ok 7377 # correct ring bond data
205: ok 7378 # correct ring bond data
205: ok 7379 # correct ring bond data
205: ok 7380 # correct ring bond data
205: ok 7381 # correct ring bond data
205: ok 7382 # correct ring bond data
205: ok 7383 # correct ring bond data
205: ok 7384 # correct ring bond data
205: ok 7385 # correct ring bond data
205: ok 7386 # correct ring bond data
205: ok 7387 # correct ring bond data
205: ok 7388 # correct ring bond data
205: ok 7389 # correct ring bond data
205: ok 7390 # correct ring bond data
205: ok 7391 # correct ring bond data
205: ok 7392 # correct ring bond data
205: ok 7393 # correct ring bond data
205: ok 7394 # correct ring bond data
205: ok 7395 # correct ring bond data
205: ok 7396 # correct ring bond data
205: ok 7397 # correct ring bond data
205: ok 7398 # correct ring bond data
205: ok 7399 # correct ring bond data
205: ok 7400 # correct ring bond data
205: ok 7401 # SSSR size matches reference
205: ok 7402 # correct SSSR count
205: ok 7403 # ring membership passed
205: ok 7404 # correct SSSR count
205: ok 7405 # ring membership passed
205: ok 7406 # correct SSSR count
205: ok 7407 # ring membership passed
205: ok 7408 # correct SSSR count
205: ok 7409 # ring membership passed
205: ok 7410 # correct SSSR count
205: ok 7411 # ring membership passed
205: ok 7412 # correct SSSR count
205: ok 7413 # ring membership passed
205: ok 7414 # correct SSSR count
205: ok 7415 # ring membership passed
205: ok 7416 # correct SSSR count
205: ok 7417 # ring membership passed
205: ok 7418 # correct SSSR count
205: ok 7419 # ring membership passed
205: ok 7420 # correct SSSR count
205: ok 7421 # ring membership passed
205: ok 7422 # correct SSSR count
205: ok 7423 # ring membership passed
205: ok 7424 # correct SSSR count
205: ok 7425 # ring membership passed
205: ok 7426 # correct SSSR count
205: ok 7427 # ring membership passed
205: ok 7428 # correct SSSR count
205: ok 7429 # ring membership passed
205: ok 7430 # correct SSSR count
205: ok 7431 # ring membership passed
205: ok 7432 # correct SSSR count
205: ok 7433 # ring membership passed
205: ok 7434 # correct SSSR count
205: ok 7435 # ring membership passed
205: ok 7436 # correct SSSR count
205: ok 7437 # ring membership passed
205: ok 7438 # correct SSSR count
205: ok 7439 # ring membership passed
205: ok 7440 # correct SSSR count
205: ok 7441 # ring membership passed
205: ok 7442 # correct SSSR count
205: ok 7443 # ring membership passed
205: ok 7444 # correct SSSR count
205: ok 7445 # ring membership passed
205: ok 7446 # correct SSSR count
205: ok 7447 # ring membership passed
205: ok 7448 # correct SSSR count
205: ok 7449 # ring membership passed
205: ok 7450 # correct SSSR count
205: ok 7451 # ring membership passed
205: ok 7452 # correct SSSR count
205: ok 7453 # ring membership passed
205: ok 7454 # correct ring bond data
205: ok 7455 # correct ring bond data
205: ok 7456 # correct ring bond data
205: ok 7457 # correct ring bond data
205: ok 7458 # correct ring bond data
205: ok 7459 # correct ring bond data
205: ok 7460 # correct ring bond data
205: ok 7461 # correct ring bond data
205: ok 7462 # correct ring bond data
205: ok 7463 # correct ring bond data
205: ok 7464 # correct ring bond data
205: ok 7465 # correct ring bond data
205: ok 7466 # correct ring bond data
205: ok 7467 # correct ring bond data
205: ok 7468 # correct ring bond data
205: ok 7469 # correct ring bond data
205: ok 7470 # correct ring bond data
205: ok 7471 # correct ring bond data
205: ok 7472 # correct ring bond data
205: ok 7473 # correct ring bond data
205: ok 7474 # correct ring bond data
205: ok 7475 # correct ring bond data
205: ok 7476 # correct ring bond data
205: ok 7477 # correct ring bond data
205: ok 7478 # correct ring bond data
205: ok 7479 # correct ring bond data
205: ok 7480 # correct ring bond data
205: ok 7481 # SSSR size matches reference
205: ok 7482 # correct SSSR count
205: ok 7483 # ring membership passed
205: ok 7484 # correct SSSR count
205: ok 7485 # ring membership passed
205: ok 7486 # correct SSSR count
205: ok 7487 # ring membership passed
205: ok 7488 # correct SSSR count
205: ok 7489 # ring membership passed
205: ok 7490 # correct SSSR count
205: ok 7491 # ring membership passed
205: ok 7492 # correct SSSR count
205: ok 7493 # ring membership passed
205: ok 7494 # correct SSSR count
205: ok 7495 # ring membership passed
205: ok 7496 # correct SSSR count
205: ok 7497 # ring membership passed
205: ok 7498 # correct SSSR count
205: ok 7499 # ring membership passed
205: ok 7500 # correct SSSR count
205: ok 7501 # ring membership passed
205: ok 7502 # correct SSSR count
205: ok 7503 # ring membership passed
205: ok 7504 # correct SSSR count
205: ok 7505 # ring membership passed
205: ok 7506 # correct SSSR count
205: ok 7507 # ring membership passed
205: ok 7508 # correct SSSR count
205: ok 7509 # ring membership passed
205: ok 7510 # correct SSSR count
205: ok 7511 # ring membership passed
205: ok 7512 # correct SSSR count
205: ok 7513 # ring membership passed
205: ok 7514 # correct SSSR count
205: ok 7515 # ring membership passed
205: ok 7516 # correct SSSR count
205: ok 7517 # ring membership passed
205: ok 7518 # correct SSSR count
205: ok 7519 # ring membership passed
205: ok 7520 # correct SSSR count
205: ok 7521 # ring membership passed
205: ok 7522 # correct SSSR count
205: ok 7523 # ring membership passed
205: ok 7524 # correct SSSR count
205: ok 7525 # ring membership passed
205: ok 7526 # correct SSSR count
205: ok 7527 # ring membership passed
205: ok 7528 # correct ring bond data
205: ok 7529 # correct ring bond data
205: ok 7530 # correct ring bond data
205: ok 7531 # correct ring bond data
205: ok 7532 # correct ring bond data
205: ok 7533 # correct ring bond data
205: ok 7534 # correct ring bond data
205: ok 7535 # correct ring bond data
205: ok 7536 # correct ring bond data
205: ok 7537 # correct ring bond data
205: ok 7538 # correct ring bond data
205: ok 7539 # correct ring bond data
205: ok 7540 # correct ring bond data
205: ok 7541 # correct ring bond data
205: ok 7542 # correct ring bond data
205: ok 7543 # SSSR size matches reference
205: ok 7544 # correct SSSR count
205: ok 7545 # ring membership passed
205: ok 7546 # correct SSSR count
205: ok 7547 # ring membership passed
205: ok 7548 # correct SSSR count
205: ok 7549 # ring membership passed
205: ok 7550 # correct SSSR count
205: ok 7551 # ring membership passed
205: ok 7552 # correct SSSR count
205: ok 7553 # ring membership passed
205: ok 7554 # correct SSSR count
205: ok 7555 # ring membership passed
205: ok 7556 # correct SSSR count
205: ok 7557 # ring membership passed
205: ok 7558 # correct SSSR count
205: ok 7559 # ring membership passed
205: ok 7560 # correct SSSR count
205: ok 7561 # ring membership passed
205: ok 7562 # correct SSSR count
205: ok 7563 # ring membership passed
205: ok 7564 # correct SSSR count
205: ok 7565 # ring membership passed
205: ok 7566 # correct SSSR count
205: ok 7567 # ring membership passed
205: ok 7568 # correct SSSR count
205: ok 7569 # ring membership passed
205: ok 7570 # correct SSSR count
205: ok 7571 # ring membership passed
205: ok 7572 # correct ring bond data
205: ok 7573 # correct ring bond data
205: ok 7574 # correct ring bond data
205: ok 7575 # correct ring bond data
205: ok 7576 # correct ring bond data
205: ok 7577 # correct ring bond data
205: ok 7578 # correct ring bond data
205: ok 7579 # correct ring bond data
205: ok 7580 # correct ring bond data
205: ok 7581 # correct ring bond data
205: ok 7582 # correct ring bond data
205: ok 7583 # correct ring bond data
205: ok 7584 # correct ring bond data
205: ok 7585 # SSSR size matches reference
205: ok 7586 # correct SSSR count
205: ok 7587 # ring membership passed
205: ok 7588 # correct SSSR count
205: ok 7589 # ring membership passed
205: ok 7590 # correct SSSR count
205: ok 7591 # ring membership passed
205: ok 7592 # correct SSSR count
205: ok 7593 # ring membership passed
205: ok 7594 # correct SSSR count
205: ok 7595 # ring membership passed
205: ok 7596 # correct SSSR count
205: ok 7597 # ring membership passed
205: ok 7598 # correct SSSR count
205: ok 7599 # ring membership passed
205: ok 7600 # correct SSSR count
205: ok 7601 # ring membership passed
205: ok 7602 # correct SSSR count
205: ok 7603 # ring membership passed
205: ok 7604 # correct SSSR count
205: ok 7605 # ring membership passed
205: ok 7606 # correct SSSR count
205: ok 7607 # ring membership passed
205: ok 7608 # correct SSSR count
205: ok 7609 # ring membership passed
205: ok 7610 # correct SSSR count
205: ok 7611 # ring membership passed
205: ok 7612 # correct SSSR count
205: ok 7613 # ring membership passed
205: ok 7614 # correct ring bond data
205: ok 7615 # correct ring bond data
205: ok 7616 # correct ring bond data
205: ok 7617 # correct ring bond data
205: ok 7618 # correct ring bond data
205: ok 7619 # correct ring bond data
205: ok 7620 # correct ring bond data
205: ok 7621 # correct ring bond data
205: ok 7622 # correct ring bond data
205: ok 7623 # correct ring bond data
205: ok 7624 # correct ring bond data
205: ok 7625 # correct ring bond data
205: ok 7626 # correct ring bond data
205: ok 7627 # correct ring bond data
205: ok 7628 # correct ring bond data
205: ok 7629 # correct ring bond data
205: ok 7630 # correct ring bond data
205: ok 7631 # correct ring bond data
205: ok 7632 # correct ring bond data
205: ok 7633 # correct ring bond data
205: ok 7634 # correct ring bond data
205: ok 7635 # correct ring bond data
205: ok 7636 # correct ring bond data
205: ok 7637 # correct ring bond data
205: ok 7638 # correct ring bond data
205: ok 7639 # correct ring bond data
205: ok 7640 # correct ring bond data
205: ok 7641 # correct ring bond data
205: ok 7642 # correct ring bond data
205: ok 7643 # correct ring bond data
205: ok 7644 # correct ring bond data
205: ok 7645 # correct ring bond data
205: ok 7646 # correct ring bond data
205: ok 7647 # SSSR size matches reference
205: ok 7648 # correct SSSR count
205: ok 7649 # ring membership passed
205: ok 7650 # correct SSSR count
205: ok 7651 # ring membership passed
205: ok 7652 # correct SSSR count
205: ok 7653 # ring membership passed
205: ok 7654 # correct SSSR count
205: ok 7655 # ring membership passed
205: ok 7656 # correct SSSR count
205: ok 7657 # ring membership passed
205: ok 7658 # correct SSSR count
205: ok 7659 # ring membership passed
205: ok 7660 # correct SSSR count
205: ok 7661 # ring membership passed
205: ok 7662 # correct SSSR count
205: ok 7663 # ring membership passed
205: ok 7664 # correct SSSR count
205: ok 7665 # ring membership passed
205: ok 7666 # correct SSSR count
205: ok 7667 # ring membership passed
205: ok 7668 # correct SSSR count
205: ok 7669 # ring membership passed
205: ok 7670 # correct SSSR count
205: ok 7671 # ring membership passed
205: ok 7672 # correct SSSR count
205: ok 7673 # ring membership passed
205: ok 7674 # correct SSSR count
205: ok 7675 # ring membership passed
205: ok 7676 # correct SSSR count
205: ok 7677 # ring membership passed
205: ok 7678 # correct SSSR count
205: ok 7679 # ring membership passed
205: ok 7680 # correct SSSR count
205: ok 7681 # ring membership passed
205: ok 7682 # correct SSSR count
205: ok 7683 # ring membership passed
205: ok 7684 # correct SSSR count
205: ok 7685 # ring membership passed
205: ok 7686 # correct SSSR count
205: ok 7687 # ring membership passed
205: ok 7688 # correct SSSR count
205: ok 7689 # ring membership passed
205: ok 7690 # correct SSSR count
205: ok 7691 # ring membership passed
205: ok 7692 # correct SSSR count
205: ok 7693 # ring membership passed
205: ok 7694 # correct SSSR count
205: ok 7695 # ring membership passed
205: ok 7696 # correct SSSR count
205: ok 7697 # ring membership passed
205: ok 7698 # correct SSSR count
205: ok 7699 # ring membership passed
205: ok 7700 # correct SSSR count
205: ok 7701 # ring membership passed
205: ok 7702 # correct SSSR count
205: ok 7703 # ring membership passed
205: ok 7704 # correct SSSR count
205: ok 7705 # ring membership passed
205: ok 7706 # correct SSSR count
205: ok 7707 # ring membership passed
205: ok 7708 # correct ring bond data
205: ok 7709 # correct ring bond data
205: ok 7710 # correct ring bond data
205: ok 7711 # correct ring bond data
205: ok 7712 # correct ring bond data
205: ok 7713 # correct ring bond data
205: ok 7714 # correct ring bond data
205: ok 7715 # correct ring bond data
205: ok 7716 # correct ring bond data
205: ok 7717 # correct ring bond data
205: ok 7718 # correct ring bond data
205: ok 7719 # correct ring bond data
205: ok 7720 # correct ring bond data
205: ok 7721 # correct ring bond data
205: ok 7722 # correct ring bond data
205: ok 7723 # correct ring bond data
205: ok 7724 # correct ring bond data
205: ok 7725 # correct ring bond data
205: ok 7726 # correct ring bond data
205: ok 7727 # correct ring bond data
205: ok 7728 # correct ring bond data
205: ok 7729 # SSSR size matches reference
205: ok 7730 # correct SSSR count
205: ok 7731 # ring membership passed
205: ok 7732 # correct SSSR count
205: ok 7733 # ring membership passed
205: ok 7734 # correct SSSR count
205: ok 7735 # ring membership passed
205: ok 7736 # correct SSSR count
205: ok 7737 # ring membership passed
205: ok 7738 # correct SSSR count
205: ok 7739 # ring membership passed
205: ok 7740 # correct SSSR count
205: ok 7741 # ring membership passed
205: ok 7742 # correct SSSR count
205: ok 7743 # ring membership passed
205: ok 7744 # correct SSSR count
205: ok 7745 # ring membership passed
205: ok 7746 # correct SSSR count
205: ok 7747 # ring membership passed
205: ok 7748 # correct SSSR count
205: ok 7749 # ring membership passed
205: ok 7750 # correct SSSR count
205: ok 7751 # ring membership passed
205: ok 7752 # correct SSSR count
205: ok 7753 # ring membership passed
205: ok 7754 # correct SSSR count
205: ok 7755 # ring membership passed
205: ok 7756 # correct SSSR count
205: ok 7757 # ring membership passed
205: ok 7758 # correct SSSR count
205: ok 7759 # ring membership passed
205: ok 7760 # correct SSSR count
205: ok 7761 # ring membership passed
205: ok 7762 # correct SSSR count
205: ok 7763 # ring membership passed
205: ok 7764 # correct SSSR count
205: ok 7765 # ring membership passed
205: ok 7766 # correct SSSR count
205: ok 7767 # ring membership passed
205: ok 7768 # correct SSSR count
205: ok 7769 # ring membership passed
205: ok 7770 # correct ring bond data
205: ok 7771 # correct ring bond data
205: ok 7772 # correct ring bond data
205: ok 7773 # correct ring bond data
205: ok 7774 # correct ring bond data
205: ok 7775 # correct ring bond data
205: ok 7776 # correct ring bond data
205: ok 7777 # correct ring bond data
205: ok 7778 # correct ring bond data
205: ok 7779 # correct ring bond data
205: ok 7780 # correct ring bond data
205: ok 7781 # correct ring bond data
205: ok 7782 # correct ring bond data
205: ok 7783 # correct ring bond data
205: ok 7784 # correct ring bond data
205: ok 7785 # correct ring bond data
205: ok 7786 # correct ring bond data
205: ok 7787 # correct ring bond data
205: ok 7788 # correct ring bond data
205: ok 7789 # correct ring bond data
205: ok 7790 # correct ring bond data
205: ok 7791 # correct ring bond data
205: ok 7792 # correct ring bond data
205: ok 7793 # correct ring bond data
205: ok 7794 # correct ring bond data
205: ok 7795 # correct ring bond data
205: ok 7796 # correct ring bond data
205: ok 7797 # SSSR size matches reference
205: ok 7798 # correct SSSR count
205: ok 7799 # ring membership passed
205: ok 7800 # correct SSSR count
205: ok 7801 # ring membership passed
205: ok 7802 # correct SSSR count
205: ok 7803 # ring membership passed
205: ok 7804 # correct SSSR count
205: ok 7805 # ring membership passed
205: ok 7806 # correct SSSR count
205: ok 7807 # ring membership passed
205: ok 7808 # correct SSSR count
205: ok 7809 # ring membership passed
205: ok 7810 # correct SSSR count
205: ok 7811 # ring membership passed
205: ok 7812 # correct SSSR count
205: ok 7813 # ring membership passed
205: ok 7814 # correct SSSR count
205: ok 7815 # ring membership passed
205: ok 7816 # correct SSSR count
205: ok 7817 # ring membership passed
205: ok 7818 # correct SSSR count
205: ok 7819 # ring membership passed
205: ok 7820 # correct SSSR count
205: ok 7821 # ring membership passed
205: ok 7822 # correct SSSR count
205: ok 7823 # ring membership passed
205: ok 7824 # correct SSSR count
205: ok 7825 # ring membership passed
205: ok 7826 # correct SSSR count
205: ok 7827 # ring membership passed
205: ok 7828 # correct SSSR count
205: ok 7829 # ring membership passed
205: ok 7830 # correct SSSR count
205: ok 7831 # ring membership passed
205: ok 7832 # correct SSSR count
205: ok 7833 # ring membership passed
205: ok 7834 # correct SSSR count
205: ok 7835 # ring membership passed
205: ok 7836 # correct SSSR count
205: ok 7837 # ring membership passed
205: ok 7838 # correct SSSR count
205: ok 7839 # ring membership passed
205: ok 7840 # correct SSSR count
205: ok 7841 # ring membership passed
205: ok 7842 # correct SSSR count
205: ok 7843 # ring membership passed
205: ok 7844 # correct SSSR count
205: ok 7845 # ring membership passed
205: ok 7846 # correct SSSR count
205: ok 7847 # ring membership passed
205: ok 7848 # correct SSSR count
205: ok 7849 # ring membership passed
205: ok 7850 # correct ring bond data
205: ok 7851 # correct ring bond data
205: ok 7852 # correct ring bond data
205: ok 7853 # correct ring bond data
205: ok 7854 # correct ring bond data
205: ok 7855 # correct ring bond data
205: ok 7856 # correct ring bond data
205: ok 7857 # correct ring bond data
205: ok 7858 # correct ring bond data
205: ok 7859 # correct ring bond data
205: ok 7860 # correct ring bond data
205: ok 7861 # correct ring bond data
205: ok 7862 # correct ring bond data
205: ok 7863 # correct ring bond data
205: ok 7864 # correct ring bond data
205: ok 7865 # correct ring bond data
205: ok 7866 # correct ring bond data
205: ok 7867 # correct ring bond data
205: ok 7868 # correct ring bond data
205: ok 7869 # correct ring bond data
205: ok 7870 # correct ring bond data
205: ok 7871 # correct ring bond data
205: ok 7872 # correct ring bond data
205: ok 7873 # correct ring bond data
205: ok 7874 # correct ring bond data
205: ok 7875 # SSSR size matches reference
205: ok 7876 # correct SSSR count
205: ok 7877 # ring membership passed
205: ok 7878 # correct SSSR count
205: ok 7879 # ring membership passed
205: ok 7880 # correct SSSR count
205: ok 7881 # ring membership passed
205: ok 7882 # correct SSSR count
205: ok 7883 # ring membership passed
205: ok 7884 # correct SSSR count
205: ok 7885 # ring membership passed
205: ok 7886 # correct SSSR count
205: ok 7887 # ring membership passed
205: ok 7888 # correct SSSR count
205: ok 7889 # ring membership passed
205: ok 7890 # correct SSSR count
205: ok 7891 # ring membership passed
205: ok 7892 # correct SSSR count
205: ok 7893 # ring membership passed
205: ok 7894 # correct SSSR count
205: ok 7895 # ring membership passed
205: ok 7896 # correct SSSR count
205: ok 7897 # ring membership passed
205: ok 7898 # correct SSSR count
205: ok 7899 # ring membership passed
205: ok 7900 # correct SSSR count
205: ok 7901 # ring membership passed
205: ok 7902 # correct SSSR count
205: ok 7903 # ring membership passed
205: ok 7904 # correct SSSR count
205: ok 7905 # ring membership passed
205: ok 7906 # correct SSSR count
205: ok 7907 # ring membership passed
205: ok 7908 # correct SSSR count
205: ok 7909 # ring membership passed
205: ok 7910 # correct SSSR count
205: ok 7911 # ring membership passed
205: ok 7912 # correct SSSR count
205: ok 7913 # ring membership passed
205: ok 7914 # correct SSSR count
205: ok 7915 # ring membership passed
205: ok 7916 # correct SSSR count
205: ok 7917 # ring membership passed
205: ok 7918 # correct SSSR count
205: ok 7919 # ring membership passed
205: ok 7920 # correct SSSR count
205: ok 7921 # ring membership passed
205: ok 7922 # correct SSSR count
205: ok 7923 # ring membership passed
205: ok 7924 # correct ring bond data
205: ok 7925 # correct ring bond data
205: ok 7926 # correct ring bond data
205: ok 7927 # correct ring bond data
205: ok 7928 # correct ring bond data
205: ok 7929 # correct ring bond data
205: ok 7930 # correct ring bond data
205: ok 7931 # correct ring bond data
205: ok 7932 # correct ring bond data
205: ok 7933 # correct ring bond data
205: ok 7934 # correct ring bond data
205: ok 7935 # correct ring bond data
205: ok 7936 # correct ring bond data
205: ok 7937 # correct ring bond data
205: ok 7938 # correct ring bond data
205: ok 7939 # correct ring bond data
205: ok 7940 # correct ring bond data
205: ok 7941 # correct ring bond data
205: ok 7942 # correct ring bond data
205: ok 7943 # correct ring bond data
205: ok 7944 # correct ring bond data
205: ok 7945 # correct ring bond data
205: ok 7946 # correct ring bond data
205: ok 7947 # correct ring bond data
205: ok 7948 # correct ring bond data
205: ok 7949 # correct ring bond data
205: ok 7950 # correct ring bond data
205: ok 7951 # correct ring bond data
205: ok 7952 # correct ring bond data
205: ok 7953 # correct ring bond data
205: ok 7954 # correct ring bond data
205: ok 7955 # correct ring bond data
205: ok 7956 # correct ring bond data
205: ok 7957 # SSSR size matches reference
205: ok 7958 # correct SSSR count
205: ok 7959 # ring membership passed
205: ok 7960 # correct SSSR count
205: ok 7961 # ring membership passed
205: ok 7962 # correct SSSR count
205: ok 7963 # ring membership passed
205: ok 7964 # correct SSSR count
205: ok 7965 # ring membership passed
205: ok 7966 # correct SSSR count
205: ok 7967 # ring membership passed
205: ok 7968 # correct SSSR count
205: ok 7969 # ring membership passed
205: ok 7970 # correct SSSR count
205: ok 7971 # ring membership passed
205: ok 7972 # correct SSSR count
205: ok 7973 # ring membership passed
205: ok 7974 # correct SSSR count
205: ok 7975 # ring membership passed
205: ok 7976 # correct SSSR count
205: ok 7977 # ring membership passed
205: ok 7978 # correct SSSR count
205: ok 7979 # ring membership passed
205: ok 7980 # correct SSSR count
205: ok 7981 # ring membership passed
205: ok 7982 # correct SSSR count
205: ok 7983 # ring membership passed
205: ok 7984 # correct SSSR count
205: ok 7985 # ring membership passed
205: ok 7986 # correct SSSR count
205: ok 7987 # ring membership passed
205: ok 7988 # correct SSSR count
205: ok 7989 # ring membership passed
205: ok 7990 # correct SSSR count
205: ok 7991 # ring membership passed
205: ok 7992 # correct SSSR count
205: ok 7993 # ring membership passed
205: ok 7994 # correct SSSR count
205: ok 7995 # ring membership passed
205: ok 7996 # correct SSSR count
205: ok 7997 # ring membership passed
205: ok 7998 # correct SSSR count
205: ok 7999 # ring membership passed
205: ok 8000 # correct SSSR count
205: ok 8001 # ring membership passed
205: ok 8002 # correct SSSR count
205: ok 8003 # ring membership passed
205: ok 8004 # correct SSSR count
205: ok 8005 # ring membership passed
205: ok 8006 # correct SSSR count
205: ok 8007 # ring membership passed
205: ok 8008 # correct SSSR count
205: ok 8009 # ring membership passed
205: ok 8010 # correct SSSR count
205: ok 8011 # ring membership passed
205: ok 8012 # correct SSSR count
205: ok 8013 # ring membership passed
205: ok 8014 # correct SSSR count
205: ok 8015 # ring membership passed
205: ok 8016 # correct SSSR count
205: ok 8017 # ring membership passed
205: ok 8018 # correct SSSR count
205: ok 8019 # ring membership passed
205: ok 8020 # correct ring bond data
205: ok 8021 # correct ring bond data
205: ok 8022 # correct ring bond data
205: ok 8023 # correct ring bond data
205: ok 8024 # correct ring bond data
205: ok 8025 # correct ring bond data
205: ok 8026 # correct ring bond data
205: ok 8027 # correct ring bond data
205: ok 8028 # correct ring bond data
205: ok 8029 # correct ring bond data
205: ok 8030 # correct ring bond data
205: ok 8031 # correct ring bond data
205: ok 8032 # correct ring bond data
205: ok 8033 # correct ring bond data
205: ok 8034 # correct ring bond data
205: ok 8035 # correct ring bond data
205: ok 8036 # correct ring bond data
205: ok 8037 # correct ring bond data
205: ok 8038 # correct ring bond data
205: ok 8039 # correct ring bond data
205: ok 8040 # correct ring bond data
205: ok 8041 # correct ring bond data
205: ok 8042 # correct ring bond data
205: ok 8043 # correct ring bond data
205: ok 8044 # correct ring bond data
205: ok 8045 # SSSR size matches reference
205: ok 8046 # correct SSSR count
205: ok 8047 # ring membership passed
205: ok 8048 # correct SSSR count
205: ok 8049 # ring membership passed
205: ok 8050 # correct SSSR count
205: ok 8051 # ring membership passed
205: ok 8052 # correct SSSR count
205: ok 8053 # ring membership passed
205: ok 8054 # correct SSSR count
205: ok 8055 # ring membership passed
205: ok 8056 # correct SSSR count
205: ok 8057 # ring membership passed
205: ok 8058 # correct SSSR count
205: ok 8059 # ring membership passed
205: ok 8060 # correct SSSR count
205: ok 8061 # ring membership passed
205: ok 8062 # correct SSSR count
205: ok 8063 # ring membership passed
205: ok 8064 # correct SSSR count
205: ok 8065 # ring membership passed
205: ok 8066 # correct SSSR count
205: ok 8067 # ring membership passed
205: ok 8068 # correct SSSR count
205: ok 8069 # ring membership passed
205: ok 8070 # correct SSSR count
205: ok 8071 # ring membership passed
205: ok 8072 # correct SSSR count
205: ok 8073 # ring membership passed
205: ok 8074 # correct SSSR count
205: ok 8075 # ring membership passed
205: ok 8076 # correct SSSR count
205: ok 8077 # ring membership passed
205: ok 8078 # correct SSSR count
205: ok 8079 # ring membership passed
205: ok 8080 # correct SSSR count
205: ok 8081 # ring membership passed
205: ok 8082 # correct SSSR count
205: ok 8083 # ring membership passed
205: ok 8084 # correct SSSR count
205: ok 8085 # ring membership passed
205: ok 8086 # correct SSSR count
205: ok 8087 # ring membership passed
205: ok 8088 # correct SSSR count
205: ok 8089 # ring membership passed
205: ok 8090 # correct SSSR count
205: ok 8091 # ring membership passed
205: ok 8092 # correct SSSR count
205: ok 8093 # ring membership passed
205: ok 8094 # correct ring bond data
205: ok 8095 # correct ring bond data
205: ok 8096 # correct ring bond data
205: ok 8097 # correct ring bond data
205: ok 8098 # correct ring bond data
205: ok 8099 # correct ring bond data
205: ok 8100 # correct ring bond data
205: ok 8101 # correct ring bond data
205: ok 8102 # correct ring bond data
205: ok 8103 # correct ring bond data
205: ok 8104 # correct ring bond data
205: ok 8105 # correct ring bond data
205: ok 8106 # correct ring bond data
205: ok 8107 # correct ring bond data
205: ok 8108 # correct ring bond data
205: ok 8109 # correct ring bond data
205: ok 8110 # correct ring bond data
205: ok 8111 # correct ring bond data
205: ok 8112 # correct ring bond data
205: ok 8113 # correct ring bond data
205: ok 8114 # correct ring bond data
205: ok 8115 # correct ring bond data
205: ok 8116 # correct ring bond data
205: ok 8117 # correct ring bond data
205: ok 8118 # correct ring bond data
205: ok 8119 # correct ring bond data
205: ok 8120 # SSSR size matches reference
205: ok 8121 # correct SSSR count
205: ok 8122 # ring membership passed
205: ok 8123 # correct SSSR count
205: ok 8124 # ring membership passed
205: ok 8125 # correct SSSR count
205: ok 8126 # ring membership passed
205: ok 8127 # correct SSSR count
205: ok 8128 # ring membership passed
205: ok 8129 # correct SSSR count
205: ok 8130 # ring membership passed
205: ok 8131 # correct SSSR count
205: ok 8132 # ring membership passed
205: ok 8133 # correct SSSR count
205: ok 8134 # ring membership passed
205: ok 8135 # correct SSSR count
205: ok 8136 # ring membership passed
205: ok 8137 # correct SSSR count
205: ok 8138 # ring membership passed
205: ok 8139 # correct SSSR count
205: ok 8140 # ring membership passed
205: ok 8141 # correct SSSR count
205: ok 8142 # ring membership passed
205: ok 8143 # correct SSSR count
205: ok 8144 # ring membership passed
205: ok 8145 # correct SSSR count
205: ok 8146 # ring membership passed
205: ok 8147 # correct SSSR count
205: ok 8148 # ring membership passed
205: ok 8149 # correct SSSR count
205: ok 8150 # ring membership passed
205: ok 8151 # correct SSSR count
205: ok 8152 # ring membership passed
205: ok 8153 # correct SSSR count
205: ok 8154 # ring membership passed
205: ok 8155 # correct SSSR count
205: ok 8156 # ring membership passed
205: ok 8157 # correct SSSR count
205: ok 8158 # ring membership passed
205: ok 8159 # correct SSSR count
205: ok 8160 # ring membership passed
205: ok 8161 # correct SSSR count
205: ok 8162 # ring membership passed
205: ok 8163 # correct SSSR count
205: ok 8164 # ring membership passed
205: ok 8165 # correct SSSR count
205: ok 8166 # ring membership passed
205: ok 8167 # correct SSSR count
205: ok 8168 # ring membership passed
205: ok 8169 # correct SSSR count
205: ok 8170 # ring membership passed
205: ok 8171 # correct ring bond data
205: ok 8172 # correct ring bond data
205: ok 8173 # correct ring bond data
205: ok 8174 # correct ring bond data
205: ok 8175 # correct ring bond data
205: ok 8176 # correct ring bond data
205: ok 8177 # correct ring bond data
205: ok 8178 # correct ring bond data
205: ok 8179 # correct ring bond data
205: ok 8180 # correct ring bond data
205: ok 8181 # correct ring bond data
205: ok 8182 # correct ring bond data
205: ok 8183 # correct ring bond data
205: ok 8184 # correct ring bond data
205: ok 8185 # correct ring bond data
205: ok 8186 # correct ring bond data
205: ok 8187 # correct ring bond data
205: ok 8188 # correct ring bond data
205: ok 8189 # correct ring bond data
205: ok 8190 # correct ring bond data
205: ok 8191 # correct ring bond data
205: ok 8192 # correct ring bond data
205: ok 8193 # correct ring bond data
205: ok 8194 # correct ring bond data
205: ok 8195 # SSSR size matches reference
205: ok 8196 # correct SSSR count
205: ok 8197 # ring membership passed
205: ok 8198 # correct SSSR count
205: ok 8199 # ring membership passed
205: ok 8200 # correct SSSR count
205: ok 8201 # ring membership passed
205: ok 8202 # correct SSSR count
205: ok 8203 # ring membership passed
205: ok 8204 # correct SSSR count
205: ok 8205 # ring membership passed
205: ok 8206 # correct SSSR count
205: ok 8207 # ring membership passed
205: ok 8208 # correct SSSR count
205: ok 8209 # ring membership passed
205: ok 8210 # correct SSSR count
205: ok 8211 # ring membership passed
205: ok 8212 # correct SSSR count
205: ok 8213 # ring membership passed
205: ok 8214 # correct SSSR count
205: ok 8215 # ring membership passed
205: ok 8216 # correct SSSR count
205: ok 8217 # ring membership passed
205: ok 8218 # correct SSSR count
205: ok 8219 # ring membership passed
205: ok 8220 # correct SSSR count
205: ok 8221 # ring membership passed
205: ok 8222 # correct SSSR count
205: ok 8223 # ring membership passed
205: ok 8224 # correct SSSR count
205: ok 8225 # ring membership passed
205: ok 8226 # correct SSSR count
205: ok 8227 # ring membership passed
205: ok 8228 # correct SSSR count
205: ok 8229 # ring membership passed
205: ok 8230 # correct SSSR count
205: ok 8231 # ring membership passed
205: ok 8232 # correct SSSR count
205: ok 8233 # ring membership passed
205: ok 8234 # correct SSSR count
205: ok 8235 # ring membership passed
205: ok 8236 # correct SSSR count
205: ok 8237 # ring membership passed
205: ok 8238 # correct SSSR count
205: ok 8239 # ring membership passed
205: ok 8240 # correct SSSR count
205: ok 8241 # ring membership passed
205: ok 8242 # correct ring bond data
205: ok 8243 # correct ring bond data
205: ok 8244 # correct ring bond data
205: ok 8245 # correct ring bond data
205: ok 8246 # correct ring bond data
205: ok 8247 # correct ring bond data
205: ok 8248 # correct ring bond data
205: ok 8249 # correct ring bond data
205: ok 8250 # correct ring bond data
205: ok 8251 # correct ring bond data
205: ok 8252 # correct ring bond data
205: ok 8253 # correct ring bond data
205: ok 8254 # correct ring bond data
205: ok 8255 # correct ring bond data
205: ok 8256 # correct ring bond data
205: ok 8257 # correct ring bond data
205: ok 8258 # correct ring bond data
205: ok 8259 # correct ring bond data
205: ok 8260 # correct ring bond data
205: ok 8261 # SSSR size matches reference
205: ok 8262 # correct SSSR count
205: ok 8263 # ring membership passed
205: ok 8264 # correct SSSR count
205: ok 8265 # ring membership passed
205: ok 8266 # correct SSSR count
205: ok 8267 # ring membership passed
205: ok 8268 # correct SSSR count
205: ok 8269 # ring membership passed
205: ok 8270 # correct SSSR count
205: ok 8271 # ring membership passed
205: ok 8272 # correct SSSR count
205: ok 8273 # ring membership passed
205: ok 8274 # correct SSSR count
205: ok 8275 # ring membership passed
205: ok 8276 # correct SSSR count
205: ok 8277 # ring membership passed
205: ok 8278 # correct SSSR count
205: ok 8279 # ring membership passed
205: ok 8280 # correct SSSR count
205: ok 8281 # ring membership passed
205: ok 8282 # correct SSSR count
205: ok 8283 # ring membership passed
205: ok 8284 # correct SSSR count
205: ok 8285 # ring membership passed
205: ok 8286 # correct SSSR count
205: ok 8287 # ring membership passed
205: ok 8288 # correct SSSR count
205: ok 8289 # ring membership passed
205: ok 8290 # correct SSSR count
205: ok 8291 # ring membership passed
205: ok 8292 # correct SSSR count
205: ok 8293 # ring membership passed
205: ok 8294 # correct SSSR count
205: ok 8295 # ring membership passed
205: ok 8296 # correct SSSR count
205: ok 8297 # ring membership passed
205: ok 8298 # correct ring bond data
205: ok 8299 # correct ring bond data
205: ok 8300 # correct ring bond data
205: ok 8301 # correct ring bond data
205: ok 8302 # correct ring bond data
205: ok 8303 # correct ring bond data
205: ok 8304 # correct ring bond data
205: ok 8305 # correct ring bond data
205: ok 8306 # correct ring bond data
205: ok 8307 # correct ring bond data
205: ok 8308 # correct ring bond data
205: ok 8309 # correct ring bond data
205: ok 8310 # correct ring bond data
205: ok 8311 # correct ring bond data
205: ok 8312 # correct ring bond data
205: ok 8313 # correct ring bond data
205: ok 8314 # correct ring bond data
205: ok 8315 # correct ring bond data
205: ok 8316 # correct ring bond data
205: ok 8317 # SSSR size matches reference
205: ok 8318 # correct SSSR count
205: ok 8319 # ring membership passed
205: ok 8320 # correct SSSR count
205: ok 8321 # ring membership passed
205: ok 8322 # correct SSSR count
205: ok 8323 # ring membership passed
205: ok 8324 # correct SSSR count
205: ok 8325 # ring membership passed
205: ok 8326 # correct SSSR count
205: ok 8327 # ring membership passed
205: ok 8328 # correct SSSR count
205: ok 8329 # ring membership passed
205: ok 8330 # correct SSSR count
205: ok 8331 # ring membership passed
205: ok 8332 # correct SSSR count
205: ok 8333 # ring membership passed
205: ok 8334 # correct SSSR count
205: ok 8335 # ring membership passed
205: ok 8336 # correct SSSR count
205: ok 8337 # ring membership passed
205: ok 8338 # correct SSSR count
205: ok 8339 # ring membership passed
205: ok 8340 # correct SSSR count
205: ok 8341 # ring membership passed
205: ok 8342 # correct SSSR count
205: ok 8343 # ring membership passed
205: ok 8344 # correct SSSR count
205: ok 8345 # ring membership passed
205: ok 8346 # correct SSSR count
205: ok 8347 # ring membership passed
205: ok 8348 # correct SSSR count
205: ok 8349 # ring membership passed
205: ok 8350 # correct SSSR count
205: ok 8351 # ring membership passed
205: ok 8352 # correct SSSR count
205: ok 8353 # ring membership passed
205: ok 8354 # correct ring bond data
205: ok 8355 # correct ring bond data
205: ok 8356 # correct ring bond data
205: ok 8357 # correct ring bond data
205: ok 8358 # correct ring bond data
205: ok 8359 # correct ring bond data
205: ok 8360 # correct ring bond data
205: ok 8361 # correct ring bond data
205: ok 8362 # correct ring bond data
205: ok 8363 # correct ring bond data
205: ok 8364 # correct ring bond data
205: ok 8365 # correct ring bond data
205: ok 8366 # correct ring bond data
205: ok 8367 # correct ring bond data
205: ok 8368 # correct ring bond data
205: ok 8369 # correct ring bond data
205: ok 8370 # correct ring bond data
205: ok 8371 # correct ring bond data
205: ok 8372 # correct ring bond data
205: ok 8373 # correct ring bond data
205: ok 8374 # correct ring bond data
205: ok 8375 # SSSR size matches reference
205: ok 8376 # correct SSSR count
205: ok 8377 # ring membership passed
205: ok 8378 # correct SSSR count
205: ok 8379 # ring membership passed
205: ok 8380 # correct SSSR count
205: ok 8381 # ring membership passed
205: ok 8382 # correct SSSR count
205: ok 8383 # ring membership passed
205: ok 8384 # correct SSSR count
205: ok 8385 # ring membership passed
205: ok 8386 # correct SSSR count
205: ok 8387 # ring membership passed
205: ok 8388 # correct SSSR count
205: ok 8389 # ring membership passed
205: ok 8390 # correct SSSR count
205: ok 8391 # ring membership passed
205: ok 8392 # correct SSSR count
205: ok 8393 # ring membership passed
205: ok 8394 # correct SSSR count
205: ok 8395 # ring membership passed
205: ok 8396 # correct SSSR count
205: ok 8397 # ring membership passed
205: ok 8398 # correct SSSR count
205: ok 8399 # ring membership passed
205: ok 8400 # correct SSSR count
205: ok 8401 # ring membership passed
205: ok 8402 # correct SSSR count
205: ok 8403 # ring membership passed
205: ok 8404 # correct SSSR count
205: ok 8405 # ring membership passed
205: ok 8406 # correct SSSR count
205: ok 8407 # ring membership passed
205: ok 8408 # correct SSSR count
205: ok 8409 # ring membership passed
205: ok 8410 # correct SSSR count
205: ok 8411 # ring membership passed
205: ok 8412 # correct SSSR count
205: ok 8413 # ring membership passed
205: ok 8414 # correct SSSR count
205: ok 8415 # ring membership passed
205: ok 8416 # correct ring bond data
205: ok 8417 # correct ring bond data
205: ok 8418 # correct ring bond data
205: ok 8419 # correct ring bond data
205: ok 8420 # correct ring bond data
205: ok 8421 # correct ring bond data
205: ok 8422 # correct ring bond data
205: ok 8423 # correct ring bond data
205: ok 8424 # correct ring bond data
205: ok 8425 # correct ring bond data
205: ok 8426 # correct ring bond data
205: ok 8427 # correct ring bond data
205: ok 8428 # correct ring bond data
205: ok 8429 # SSSR size matches reference
205: ok 8430 # correct SSSR count
205: ok 8431 # ring membership passed
205: ok 8432 # correct SSSR count
205: ok 8433 # ring membership passed
205: ok 8434 # correct SSSR count
205: ok 8435 # ring membership passed
205: ok 8436 # correct SSSR count
205: ok 8437 # ring membership passed
205: ok 8438 # correct SSSR count
205: ok 8439 # ring membership passed
205: ok 8440 # correct SSSR count
205: ok 8441 # ring membership passed
205: ok 8442 # correct SSSR count
205: ok 8443 # ring membership passed
205: ok 8444 # correct SSSR count
205: ok 8445 # ring membership passed
205: ok 8446 # correct SSSR count
205: ok 8447 # ring membership passed
205: ok 8448 # correct SSSR count
205: ok 8449 # ring membership passed
205: ok 8450 # correct SSSR count
205: ok 8451 # ring membership passed
205: ok 8452 # correct SSSR count
205: ok 8453 # ring membership passed
205: ok 8454 # correct SSSR count
205: ok 8455 # ring membership passed
205: ok 8456 # correct ring bond data
205: ok 8457 # correct ring bond data
205: ok 8458 # correct ring bond data
205: ok 8459 # correct ring bond data
205: ok 8460 # correct ring bond data
205: ok 8461 # correct ring bond data
205: ok 8462 # correct ring bond data
205: ok 8463 # correct ring bond data
205: ok 8464 # correct ring bond data
205: ok 8465 # correct ring bond data
205: ok 8466 # correct ring bond data
205: ok 8467 # correct ring bond data
205: ok 8468 # correct ring bond data
205: ok 8469 # correct ring bond data
205: ok 8470 # correct ring bond data
205: ok 8471 # correct ring bond data
205: ok 8472 # correct ring bond data
205: ok 8473 # correct ring bond data
205: ok 8474 # correct ring bond data
205: ok 8475 # SSSR size matches reference
205: ok 8476 # correct SSSR count
205: ok 8477 # ring membership passed
205: ok 8478 # correct SSSR count
205: ok 8479 # ring membership passed
205: ok 8480 # correct SSSR count
205: ok 8481 # ring membership passed
205: ok 8482 # correct SSSR count
205: ok 8483 # ring membership passed
205: ok 8484 # correct SSSR count
205: ok 8485 # ring membership passed
205: ok 8486 # correct SSSR count
205: ok 8487 # ring membership passed
205: ok 8488 # correct SSSR count
205: ok 8489 # ring membership passed
205: ok 8490 # correct SSSR count
205: ok 8491 # ring membership passed
205: ok 8492 # correct SSSR count
205: ok 8493 # ring membership passed
205: ok 8494 # correct SSSR count
205: ok 8495 # ring membership passed
205: ok 8496 # correct SSSR count
205: ok 8497 # ring membership passed
205: ok 8498 # correct SSSR count
205: ok 8499 # ring membership passed
205: ok 8500 # correct SSSR count
205: ok 8501 # ring membership passed
205: ok 8502 # correct SSSR count
205: ok 8503 # ring membership passed
205: ok 8504 # correct SSSR count
205: ok 8505 # ring membership passed
205: ok 8506 # correct SSSR count
205: ok 8507 # ring membership passed
205: ok 8508 # correct SSSR count
205: ok 8509 # ring membership passed
205: ok 8510 # correct SSSR count
205: ok 8511 # ring membership passed
205: ok 8512 # correct ring bond data
205: ok 8513 # correct ring bond data
205: ok 8514 # correct ring bond data
205: ok 8515 # correct ring bond data
205: ok 8516 # correct ring bond data
205: ok 8517 # correct ring bond data
205: ok 8518 # correct ring bond data
205: ok 8519 # correct ring bond data
205: ok 8520 # correct ring bond data
205: ok 8521 # correct ring bond data
205: ok 8522 # correct ring bond data
205: ok 8523 # correct ring bond data
205: ok 8524 # correct ring bond data
205: ok 8525 # correct ring bond data
205: ok 8526 # correct ring bond data
205: ok 8527 # correct ring bond data
205: ok 8528 # SSSR size matches reference
205: ok 8529 # correct SSSR count
205: ok 8530 # ring membership passed
205: ok 8531 # correct SSSR count
205: ok 8532 # ring membership passed
205: ok 8533 # correct SSSR count
205: ok 8534 # ring membership passed
205: ok 8535 # correct SSSR count
205: ok 8536 # ring membership passed
205: ok 8537 # correct SSSR count
205: ok 8538 # ring membership passed
205: ok 8539 # correct SSSR count
205: ok 8540 # ring membership passed
205: ok 8541 # correct SSSR count
205: ok 8542 # ring membership passed
205: ok 8543 # correct SSSR count
205: ok 8544 # ring membership passed
205: ok 8545 # correct SSSR count
205: ok 8546 # ring membership passed
205: ok 8547 # correct SSSR count
205: ok 8548 # ring membership passed
205: ok 8549 # correct SSSR count
205: ok 8550 # ring membership passed
205: ok 8551 # correct SSSR count
205: ok 8552 # ring membership passed
205: ok 8553 # correct SSSR count
205: ok 8554 # ring membership passed
205: ok 8555 # correct SSSR count
205: ok 8556 # ring membership passed
205: ok 8557 # correct SSSR count
205: ok 8558 # ring membership passed
205: ok 8559 # correct ring bond data
205: ok 8560 # correct ring bond data
205: ok 8561 # correct ring bond data
205: ok 8562 # correct ring bond data
205: ok 8563 # correct ring bond data
205: ok 8564 # correct ring bond data
205: ok 8565 # correct ring bond data
205: ok 8566 # correct ring bond data
205: ok 8567 # correct ring bond data
205: ok 8568 # correct ring bond data
205: ok 8569 # correct ring bond data
205: ok 8570 # correct ring bond data
205: ok 8571 # correct ring bond data
205: ok 8572 # correct ring bond data
205: ok 8573 # correct ring bond data
205: ok 8574 # correct ring bond data
205: ok 8575 # correct ring bond data
205: ok 8576 # correct ring bond data
205: ok 8577 # correct ring bond data
205: ok 8578 # SSSR size matches reference
205: ok 8579 # correct SSSR count
205: ok 8580 # ring membership passed
205: ok 8581 # correct SSSR count
205: ok 8582 # ring membership passed
205: ok 8583 # correct SSSR count
205: ok 8584 # ring membership passed
205: ok 8585 # correct SSSR count
205: ok 8586 # ring membership passed
205: ok 8587 # correct SSSR count
205: ok 8588 # ring membership passed
205: ok 8589 # correct SSSR count
205: ok 8590 # ring membership passed
205: ok 8591 # correct SSSR count
205: ok 8592 # ring membership passed
205: ok 8593 # correct SSSR count
205: ok 8594 # ring membership passed
205: ok 8595 # correct SSSR count
205: ok 8596 # ring membership passed
205: ok 8597 # correct SSSR count
205: ok 8598 # ring membership passed
205: ok 8599 # correct SSSR count
205: ok 8600 # ring membership passed
205: ok 8601 # correct SSSR count
205: ok 8602 # ring membership passed
205: ok 8603 # correct SSSR count
205: ok 8604 # ring membership passed
205: ok 8605 # correct SSSR count
205: ok 8606 # ring membership passed
205: ok 8607 # correct SSSR count
205: ok 8608 # ring membership passed
205: ok 8609 # correct SSSR count
205: ok 8610 # ring membership passed
205: ok 8611 # correct SSSR count
205: ok 8612 # ring membership passed
205: ok 8613 # correct SSSR count
205: ok 8614 # ring membership passed
205: ok 8615 # correct ring bond data
205: ok 8616 # correct ring bond data
205: ok 8617 # correct ring bond data
205: ok 8618 # correct ring bond data
205: ok 8619 # correct ring bond data
205: ok 8620 # correct ring bond data
205: ok 8621 # correct ring bond data
205: ok 8622 # correct ring bond data
205: ok 8623 # correct ring bond data
205: ok 8624 # correct ring bond data
205: ok 8625 # correct ring bond data
205: ok 8626 # correct ring bond data
205: ok 8627 # correct ring bond data
205: ok 8628 # correct ring bond data
205: ok 8629 # correct ring bond data
205: ok 8630 # correct ring bond data
205: ok 8631 # correct ring bond data
205: ok 8632 # correct ring bond data
205: ok 8633 # correct ring bond data
205: ok 8634 # correct ring bond data
205: ok 8635 # correct ring bond data
205: ok 8636 # correct ring bond data
205: ok 8637 # correct ring bond data
205: ok 8638 # correct ring bond data
205: ok 8639 # correct ring bond data
205: ok 8640 # correct ring bond data
205: ok 8641 # SSSR size matches reference
205: ok 8642 # correct SSSR count
205: ok 8643 # ring membership passed
205: ok 8644 # correct SSSR count
205: ok 8645 # ring membership passed
205: ok 8646 # correct SSSR count
205: ok 8647 # ring membership passed
205: ok 8648 # correct SSSR count
205: ok 8649 # ring membership passed
205: ok 8650 # correct SSSR count
205: ok 8651 # ring membership passed
205: ok 8652 # correct SSSR count
205: ok 8653 # ring membership passed
205: ok 8654 # correct SSSR count
205: ok 8655 # ring membership passed
205: ok 8656 # correct SSSR count
205: ok 8657 # ring membership passed
205: ok 8658 # correct SSSR count
205: ok 8659 # ring membership passed
205: ok 8660 # correct SSSR count
205: ok 8661 # ring membership passed
205: ok 8662 # correct SSSR count
205: ok 8663 # ring membership passed
205: ok 8664 # correct SSSR count
205: ok 8665 # ring membership passed
205: ok 8666 # correct SSSR count
205: ok 8667 # ring membership passed
205: ok 8668 # correct SSSR count
205: ok 8669 # ring membership passed
205: ok 8670 # correct SSSR count
205: ok 8671 # ring membership passed
205: ok 8672 # correct SSSR count
205: ok 8673 # ring membership passed
205: ok 8674 # correct SSSR count
205: ok 8675 # ring membership passed
205: ok 8676 # correct SSSR count
205: ok 8677 # ring membership passed
205: ok 8678 # correct SSSR count
205: ok 8679 # ring membership passed
205: ok 8680 # correct SSSR count
205: ok 8681 # ring membership passed
205: ok 8682 # correct SSSR count
205: ok 8683 # ring membership passed
205: ok 8684 # correct SSSR count
205: ok 8685 # ring membership passed
205: ok 8686 # correct SSSR count
205: ok 8687 # ring membership passed
205: ok 8688 # correct SSSR count
205: ok 8689 # ring membership passed
205: ok 8690 # correct ring bond data
205: ok 8691 # correct ring bond data
205: ok 8692 # correct ring bond data
205: ok 8693 # correct ring bond data
205: ok 8694 # correct ring bond data
205: ok 8695 # correct ring bond data
205: ok 8696 # correct ring bond data
205: ok 8697 # correct ring bond data
205: ok 8698 # correct ring bond data
205: ok 8699 # correct ring bond data
205: ok 8700 # correct ring bond data
205: ok 8701 # correct ring bond data
205: ok 8702 # correct ring bond data
205: ok 8703 # correct ring bond data
205: ok 8704 # correct ring bond data
205: ok 8705 # correct ring bond data
205: ok 8706 # correct ring bond data
205: ok 8707 # correct ring bond data
205: ok 8708 # correct ring bond data
205: ok 8709 # correct ring bond data
205: ok 8710 # correct ring bond data
205: ok 8711 # correct ring bond data
205: ok 8712 # correct ring bond data
205: ok 8713 # correct ring bond data
205: ok 8714 # correct ring bond data
205: ok 8715 # correct ring bond data
205: ok 8716 # correct ring bond data
205: ok 8717 # correct ring bond data
205: ok 8718 # correct ring bond data
205: ok 8719 # correct ring bond data
205: ok 8720 # correct ring bond data
205: ok 8721 # correct ring bond data
205: ok 8722 # correct ring bond data
205: ok 8723 # correct ring bond data
205: ok 8724 # SSSR size matches reference
205: ok 8725 # correct SSSR count
205: ok 8726 # ring membership passed
205: ok 8727 # correct SSSR count
205: ok 8728 # ring membership passed
205: ok 8729 # correct SSSR count
205: ok 8730 # ring membership passed
205: ok 8731 # correct SSSR count
205: ok 8732 # ring membership passed
205: ok 8733 # correct SSSR count
205: ok 8734 # ring membership passed
205: ok 8735 # correct SSSR count
205: ok 8736 # ring membership passed
205: ok 8737 # correct SSSR count
205: ok 8738 # ring membership passed
205: ok 8739 # correct SSSR count
205: ok 8740 # ring membership passed
205: ok 8741 # correct SSSR count
205: ok 8742 # ring membership passed
205: ok 8743 # correct SSSR count
205: ok 8744 # ring membership passed
205: ok 8745 # correct SSSR count
205: ok 8746 # ring membership passed
205: ok 8747 # correct SSSR count
205: ok 8748 # ring membership passed
205: ok 8749 # correct SSSR count
205: ok 8750 # ring membership passed
205: ok 8751 # correct SSSR count
205: ok 8752 # ring membership passed
205: ok 8753 # correct SSSR count
205: ok 8754 # ring membership passed
205: ok 8755 # correct SSSR count
205: ok 8756 # ring membership passed
205: ok 8757 # correct SSSR count
205: ok 8758 # ring membership passed
205: ok 8759 # correct SSSR count
205: ok 8760 # ring membership passed
205: ok 8761 # correct SSSR count
205: ok 8762 # ring membership passed
205: ok 8763 # correct SSSR count
205: ok 8764 # ring membership passed
205: ok 8765 # correct SSSR count
205: ok 8766 # ring membership passed
205: ok 8767 # correct SSSR count
205: ok 8768 # ring membership passed
205: ok 8769 # correct SSSR count
205: ok 8770 # ring membership passed
205: ok 8771 # correct SSSR count
205: ok 8772 # ring membership passed
205: ok 8773 # correct SSSR count
205: ok 8774 # ring membership passed
205: ok 8775 # correct SSSR count
205: ok 8776 # ring membership passed
205: ok 8777 # correct SSSR count
205: ok 8778 # ring membership passed
205: ok 8779 # correct SSSR count
205: ok 8780 # ring membership passed
205: ok 8781 # correct SSSR count
205: ok 8782 # ring membership passed
205: ok 8783 # correct SSSR count
205: ok 8784 # ring membership passed
205: ok 8785 # correct SSSR count
205: ok 8786 # ring membership passed
205: ok 8787 # correct SSSR count
205: ok 8788 # ring membership passed
205: ok 8789 # correct ring bond data
205: ok 8790 # correct ring bond data
205: ok 8791 # correct ring bond data
205: ok 8792 # correct ring bond data
205: ok 8793 # correct ring bond data
205: ok 8794 # correct ring bond data
205: ok 8795 # correct ring bond data
205: ok 8796 # correct ring bond data
205: ok 8797 # correct ring bond data
205: ok 8798 # correct ring bond data
205: ok 8799 # correct ring bond data
205: ok 8800 # correct ring bond data
205: ok 8801 # correct ring bond data
205: ok 8802 # correct ring bond data
205: ok 8803 # correct ring bond data
205: ok 8804 # correct ring bond data
205: ok 8805 # correct ring bond data
205: ok 8806 # correct ring bond data
205: ok 8807 # correct ring bond data
205: ok 8808 # correct ring bond data
205: ok 8809 # correct ring bond data
205: ok 8810 # correct ring bond data
205: ok 8811 # correct ring bond data
205: ok 8812 # correct ring bond data
205: ok 8813 # correct ring bond data
205: ok 8814 # correct ring bond data
205: ok 8815 # correct ring bond data
205: ok 8816 # correct ring bond data
205: ok 8817 # correct ring bond data
205: ok 8818 # correct ring bond data
205: ok 8819 # correct ring bond data
205: ok 8820 # SSSR size matches reference
205: ok 8821 # correct SSSR count
205: ok 8822 # ring membership passed
205: ok 8823 # correct SSSR count
205: ok 8824 # ring membership passed
205: ok 8825 # correct SSSR count
205: ok 8826 # ring membership passed
205: ok 8827 # correct SSSR count
205: ok 8828 # ring membership passed
205: ok 8829 # correct SSSR count
205: ok 8830 # ring membership passed
205: ok 8831 # correct SSSR count
205: ok 8832 # ring membership passed
205: ok 8833 # correct SSSR count
205: ok 8834 # ring membership passed
205: ok 8835 # correct SSSR count
205: ok 8836 # ring membership passed
205: ok 8837 # correct SSSR count
205: ok 8838 # ring membership passed
205: ok 8839 # correct SSSR count
205: ok 8840 # ring membership passed
205: ok 8841 # correct SSSR count
205: ok 8842 # ring membership passed
205: ok 8843 # correct SSSR count
205: ok 8844 # ring membership passed
205: ok 8845 # correct SSSR count
205: ok 8846 # ring membership passed
205: ok 8847 # correct SSSR count
205: ok 8848 # ring membership passed
205: ok 8849 # correct SSSR count
205: ok 8850 # ring membership passed
205: ok 8851 # correct SSSR count
205: ok 8852 # ring membership passed
205: ok 8853 # correct SSSR count
205: ok 8854 # ring membership passed
205: ok 8855 # correct SSSR count
205: ok 8856 # ring membership passed
205: ok 8857 # correct SSSR count
205: ok 8858 # ring membership passed
205: ok 8859 # correct SSSR count
205: ok 8860 # ring membership passed
205: ok 8861 # correct SSSR count
205: ok 8862 # ring membership passed
205: ok 8863 # correct SSSR count
205: ok 8864 # ring membership passed
205: ok 8865 # correct SSSR count
205: ok 8866 # ring membership passed
205: ok 8867 # correct SSSR count
205: ok 8868 # ring membership passed
205: ok 8869 # correct SSSR count
205: ok 8870 # ring membership passed
205: ok 8871 # correct SSSR count
205: ok 8872 # ring membership passed
205: ok 8873 # correct SSSR count
205: ok 8874 # ring membership passed
205: ok 8875 # correct SSSR count
205: ok 8876 # ring membership passed
205: ok 8877 # correct SSSR count
205: ok 8878 # ring membership passed
205: ok 8879 # correct ring bond data
205: ok 8880 # correct ring bond data
205: ok 8881 # correct ring bond data
205: ok 8882 # correct ring bond data
205: ok 8883 # correct ring bond data
205: ok 8884 # correct ring bond data
205: ok 8885 # correct ring bond data
205: ok 8886 # correct ring bond data
205: ok 8887 # correct ring bond data
205: ok 8888 # SSSR size matches reference
205: ok 8889 # correct SSSR count
205: ok 8890 # ring membership passed
205: ok 8891 # correct SSSR count
205: ok 8892 # ring membership passed
205: ok 8893 # correct SSSR count
205: ok 8894 # ring membership passed
205: ok 8895 # correct SSSR count
205: ok 8896 # ring membership passed
205: ok 8897 # correct SSSR count
205: ok 8898 # ring membership passed
205: ok 8899 # correct SSSR count
205: ok 8900 # ring membership passed
205: ok 8901 # correct SSSR count
205: ok 8902 # ring membership passed
205: ok 8903 # correct SSSR count
205: ok 8904 # ring membership passed
205: ok 8905 # correct SSSR count
205: ok 8906 # ring membership passed
205: ok 8907 # correct ring bond data
205: ok 8908 # correct ring bond data
205: ok 8909 # correct ring bond data
205: ok 8910 # correct ring bond data
205: ok 8911 # correct ring bond data
205: ok 8912 # correct ring bond data
205: ok 8913 # correct ring bond data
205: ok 8914 # correct ring bond data
205: ok 8915 # correct ring bond data
205: ok 8916 # correct ring bond data
205: ok 8917 # correct ring bond data
205: ok 8918 # correct ring bond data
205: ok 8919 # correct ring bond data
205: ok 8920 # correct ring bond data
205: ok 8921 # correct ring bond data
205: ok 8922 # correct ring bond data
205: ok 8923 # correct ring bond data
205: ok 8924 # correct ring bond data
205: ok 8925 # SSSR size matches reference
205: ok 8926 # correct SSSR count
205: ok 8927 # ring membership passed
205: ok 8928 # correct SSSR count
205: ok 8929 # ring membership passed
205: ok 8930 # correct SSSR count
205: ok 8931 # ring membership passed
205: ok 8932 # correct SSSR count
205: ok 8933 # ring membership passed
205: ok 8934 # correct SSSR count
205: ok 8935 # ring membership passed
205: ok 8936 # correct SSSR count
205: ok 8937 # ring membership passed
205: ok 8938 # correct SSSR count
205: ok 8939 # ring membership passed
205: ok 8940 # correct SSSR count
205: ok 8941 # ring membership passed
205: ok 8942 # correct SSSR count
205: ok 8943 # ring membership passed
205: ok 8944 # correct SSSR count
205: ok 8945 # ring membership passed
205: ok 8946 # correct SSSR count
205: ok 8947 # ring membership passed
205: ok 8948 # correct SSSR count
205: ok 8949 # ring membership passed
205: ok 8950 # correct SSSR count
205: ok 8951 # ring membership passed
205: ok 8952 # correct SSSR count
205: ok 8953 # ring membership passed
205: ok 8954 # correct SSSR count
205: ok 8955 # ring membership passed
205: ok 8956 # correct SSSR count
205: ok 8957 # ring membership passed
205: ok 8958 # correct SSSR count
205: ok 8959 # ring membership passed
205: ok 8960 # correct ring bond data
205: ok 8961 # correct ring bond data
205: ok 8962 # correct ring bond data
205: ok 8963 # correct ring bond data
205: ok 8964 # correct ring bond data
205: ok 8965 # correct ring bond data
205: ok 8966 # correct ring bond data
205: ok 8967 # correct ring bond data
205: ok 8968 # correct ring bond data
205: ok 8969 # correct ring bond data
205: ok 8970 # correct ring bond data
205: ok 8971 # correct ring bond data
205: ok 8972 # correct ring bond data
205: ok 8973 # correct ring bond data
205: ok 8974 # SSSR size matches reference
205: ok 8975 # correct SSSR count
205: ok 8976 # ring membership passed
205: ok 8977 # correct SSSR count
205: ok 8978 # ring membership passed
205: ok 8979 # correct SSSR count
205: ok 8980 # ring membership passed
205: ok 8981 # correct SSSR count
205: ok 8982 # ring membership passed
205: ok 8983 # correct SSSR count
205: ok 8984 # ring membership passed
205: ok 8985 # correct SSSR count
205: ok 8986 # ring membership passed
205: ok 8987 # correct SSSR count
205: ok 8988 # ring membership passed
205: ok 8989 # correct SSSR count
205: ok 8990 # ring membership passed
205: ok 8991 # correct SSSR count
205: ok 8992 # ring membership passed
205: ok 8993 # correct SSSR count
205: ok 8994 # ring membership passed
205: ok 8995 # correct SSSR count
205: ok 8996 # ring membership passed
205: ok 8997 # correct SSSR count
205: ok 8998 # ring membership passed
205: ok 8999 # correct SSSR count
205: ok 9000 # ring membership passed
205: ok 9001 # correct ring bond data
205: ok 9002 # correct ring bond data
205: ok 9003 # correct ring bond data
205: ok 9004 # correct ring bond data
205: ok 9005 # correct ring bond data
205: ok 9006 # correct ring bond data
205: ok 9007 # correct ring bond data
205: ok 9008 # correct ring bond data
205: ok 9009 # correct ring bond data
205: ok 9010 # correct ring bond data
205: ok 9011 # correct ring bond data
205: ok 9012 # correct ring bond data
205: ok 9013 # correct ring bond data
205: ok 9014 # correct ring bond data
205: ok 9015 # SSSR size matches reference
205: ok 9016 # correct SSSR count
205: ok 9017 # ring membership passed
205: ok 9018 # correct SSSR count
205: ok 9019 # ring membership passed
205: ok 9020 # correct SSSR count
205: ok 9021 # ring membership passed
205: ok 9022 # correct SSSR count
205: ok 9023 # ring membership passed
205: ok 9024 # correct SSSR count
205: ok 9025 # ring membership passed
205: ok 9026 # correct SSSR count
205: ok 9027 # ring membership passed
205: ok 9028 # correct SSSR count
205: ok 9029 # ring membership passed
205: ok 9030 # correct SSSR count
205: ok 9031 # ring membership passed
205: ok 9032 # correct SSSR count
205: ok 9033 # ring membership passed
205: ok 9034 # correct SSSR count
205: ok 9035 # ring membership passed
205: ok 9036 # correct SSSR count
205: ok 9037 # ring membership passed
205: ok 9038 # correct SSSR count
205: ok 9039 # ring membership passed
205: ok 9040 # correct SSSR count
205: ok 9041 # ring membership passed
205: ok 9042 # correct SSSR count
205: ok 9043 # ring membership passed
205: ok 9044 # correct ring bond data
205: ok 9045 # correct ring bond data
205: ok 9046 # correct ring bond data
205: ok 9047 # correct ring bond data
205: ok 9048 # correct ring bond data
205: ok 9049 # correct ring bond data
205: ok 9050 # correct ring bond data
205: ok 9051 # correct ring bond data
205: ok 9052 # correct ring bond data
205: ok 9053 # correct ring bond data
205: ok 9054 # correct ring bond data
205: ok 9055 # SSSR size matches reference
205: ok 9056 # correct SSSR count
205: ok 9057 # ring membership passed
205: ok 9058 # correct SSSR count
205: ok 9059 # ring membership passed
205: ok 9060 # correct SSSR count
205: ok 9061 # ring membership passed
205: ok 9062 # correct SSSR count
205: ok 9063 # ring membership passed
205: ok 9064 # correct SSSR count
205: ok 9065 # ring membership passed
205: ok 9066 # correct SSSR count
205: ok 9067 # ring membership passed
205: ok 9068 # correct SSSR count
205: ok 9069 # ring membership passed
205: ok 9070 # correct SSSR count
205: ok 9071 # ring membership passed
205: ok 9072 # correct SSSR count
205: ok 9073 # ring membership passed
205: ok 9074 # correct SSSR count
205: ok 9075 # ring membership passed
205: ok 9076 # correct SSSR count
205: ok 9077 # ring membership passed
205: ok 9078 # correct SSSR count
205: ok 9079 # ring membership passed
205: ok 9080 # correct ring bond data
205: ok 9081 # correct ring bond data
205: ok 9082 # correct ring bond data
205: ok 9083 # correct ring bond data
205: ok 9084 # correct ring bond data
205: ok 9085 # correct ring bond data
205: ok 9086 # correct ring bond data
205: ok 9087 # correct ring bond data
205: ok 9088 # correct ring bond data
205: ok 9089 # correct ring bond data
205: ok 9090 # correct ring bond data
205: ok 9091 # correct ring bond data
205: ok 9092 # correct ring bond data
205: ok 9093 # correct ring bond data
205: ok 9094 # correct ring bond data
205: ok 9095 # correct ring bond data
205: ok 9096 # correct ring bond data
205: ok 9097 # correct ring bond data
205: ok 9098 # correct ring bond data
205: ok 9099 # correct ring bond data
205: ok 9100 # correct ring bond data
205: ok 9101 # correct ring bond data
205: ok 9102 # correct ring bond data
205: ok 9103 # correct ring bond data
205: ok 9104 # correct ring bond data
205: ok 9105 # correct ring bond data
205: ok 9106 # correct ring bond data
205: ok 9107 # correct ring bond data
205: ok 9108 # correct ring bond data
205: ok 9109 # SSSR size matches reference
205: ok 9110 # correct SSSR count
205: ok 9111 # ring membership passed
205: ok 9112 # correct SSSR count
205: ok 9113 # ring membership passed
205: ok 9114 # correct SSSR count
205: ok 9115 # ring membership passed
205: ok 9116 # correct SSSR count
205: ok 9117 # ring membership passed
205: ok 9118 # correct SSSR count
205: ok 9119 # ring membership passed
205: ok 9120 # correct SSSR count
205: ok 9121 # ring membership passed
205: ok 9122 # correct SSSR count
205: ok 9123 # ring membership passed
205: ok 9124 # correct SSSR count
205: ok 9125 # ring membership passed
205: ok 9126 # correct SSSR count
205: ok 9127 # ring membership passed
205: ok 9128 # correct SSSR count
205: ok 9129 # ring membership passed
205: ok 9130 # correct SSSR count
205: ok 9131 # ring membership passed
205: ok 9132 # correct SSSR count
205: ok 9133 # ring membership passed
205: ok 9134 # correct SSSR count
205: ok 9135 # ring membership passed
205: ok 9136 # correct SSSR count
205: ok 9137 # ring membership passed
205: ok 9138 # correct SSSR count
205: ok 9139 # ring membership passed
205: ok 9140 # correct SSSR count
205: ok 9141 # ring membership passed
205: ok 9142 # correct SSSR count
205: ok 9143 # ring membership passed
205: ok 9144 # correct SSSR count
205: ok 9145 # ring membership passed
205: ok 9146 # correct SSSR count
205: ok 9147 # ring membership passed
205: ok 9148 # correct SSSR count
205: ok 9149 # ring membership passed
205: ok 9150 # correct SSSR count
205: ok 9151 # ring membership passed
205: ok 9152 # correct SSSR count
205: ok 9153 # ring membership passed
205: ok 9154 # correct SSSR count
205: ok 9155 # ring membership passed
205: ok 9156 # correct SSSR count
205: ok 9157 # ring membership passed
205: ok 9158 # correct SSSR count
205: ok 9159 # ring membership passed
205: ok 9160 # correct SSSR count
205: ok 9161 # ring membership passed
205: ok 9162 # correct SSSR count
205: ok 9163 # ring membership passed
205: ok 9164 # correct SSSR count
205: ok 9165 # ring membership passed
205: ok 9166 # correct ring bond data
205: ok 9167 # correct ring bond data
205: ok 9168 # correct ring bond data
205: ok 9169 # correct ring bond data
205: ok 9170 # correct ring bond data
205: ok 9171 # correct ring bond data
205: ok 9172 # correct ring bond data
205: ok 9173 # correct ring bond data
205: ok 9174 # correct ring bond data
205: ok 9175 # correct ring bond data
205: ok 9176 # correct ring bond data
205: ok 9177 # correct ring bond data
205: ok 9178 # correct ring bond data
205: ok 9179 # correct ring bond data
205: ok 9180 # correct ring bond data
205: ok 9181 # correct ring bond data
205: ok 9182 # correct ring bond data
205: ok 9183 # correct ring bond data
205: ok 9184 # correct ring bond data
205: ok 9185 # correct ring bond data
205: ok 9186 # correct ring bond data
205: ok 9187 # correct ring bond data
205: ok 9188 # correct ring bond data
205: ok 9189 # correct ring bond data
205: ok 9190 # correct ring bond data
205: ok 9191 # correct ring bond data
205: ok 9192 # correct ring bond data
205: ok 9193 # correct ring bond data
205: ok 9194 # correct ring bond data
205: ok 9195 # correct ring bond data
205: ok 9196 # correct ring bond data
205: ok 9197 # SSSR size matches reference
205: ok 9198 # correct SSSR count
205: ok 9199 # ring membership passed
205: ok 9200 # correct SSSR count
205: ok 9201 # ring membership passed
205: ok 9202 # correct SSSR count
205: ok 9203 # ring membership passed
205: ok 9204 # correct SSSR count
205: ok 9205 # ring membership passed
205: ok 9206 # correct SSSR count
205: ok 9207 # ring membership passed
205: ok 9208 # correct SSSR count
205: ok 9209 # ring membership passed
205: ok 9210 # correct SSSR count
205: ok 9211 # ring membership passed
205: ok 9212 # correct SSSR count
205: ok 9213 # ring membership passed
205: ok 9214 # correct SSSR count
205: ok 9215 # ring membership passed
205: ok 9216 # correct SSSR count
205: ok 9217 # ring membership passed
205: ok 9218 # correct SSSR count
205: ok 9219 # ring membership passed
205: ok 9220 # correct SSSR count
205: ok 9221 # ring membership passed
205: ok 9222 # correct SSSR count
205: ok 9223 # ring membership passed
205: ok 9224 # correct SSSR count
205: ok 9225 # ring membership passed
205: ok 9226 # correct SSSR count
205: ok 9227 # ring membership passed
205: ok 9228 # correct SSSR count
205: ok 9229 # ring membership passed
205: ok 9230 # correct SSSR count
205: ok 9231 # ring membership passed
205: ok 9232 # correct SSSR count
205: ok 9233 # ring membership passed
205: ok 9234 # correct SSSR count
205: ok 9235 # ring membership passed
205: ok 9236 # correct SSSR count
205: ok 9237 # ring membership passed
205: ok 9238 # correct SSSR count
205: ok 9239 # ring membership passed
205: ok 9240 # correct SSSR count
205: ok 9241 # ring membership passed
205: ok 9242 # correct SSSR count
205: ok 9243 # ring membership passed
205: ok 9244 # correct SSSR count
205: ok 9245 # ring membership passed
205: ok 9246 # correct SSSR count
205: ok 9247 # ring membership passed
205: ok 9248 # correct SSSR count
205: ok 9249 # ring membership passed
205: ok 9250 # correct SSSR count
205: ok 9251 # ring membership passed
205: ok 9252 # correct SSSR count
205: ok 9253 # ring membership passed
205: ok 9254 # correct ring bond data
205: ok 9255 # correct ring bond data
205: ok 9256 # correct ring bond data
205: ok 9257 # correct ring bond data
205: ok 9258 # correct ring bond data
205: ok 9259 # correct ring bond data
205: ok 9260 # correct ring bond data
205: ok 9261 # correct ring bond data
205: ok 9262 # correct ring bond data
205: ok 9263 # correct ring bond data
205: ok 9264 # correct ring bond data
205: ok 9265 # correct ring bond data
205: ok 9266 # correct ring bond data
205: ok 9267 # correct ring bond data
205: ok 9268 # correct ring bond data
205: ok 9269 # correct ring bond data
205: ok 9270 # correct ring bond data
205: ok 9271 # correct ring bond data
205: ok 9272 # correct ring bond data
205: ok 9273 # SSSR size matches reference
205: ok 9274 # correct SSSR count
205: ok 9275 # ring membership passed
205: ok 9276 # correct SSSR count
205: ok 9277 # ring membership passed
205: ok 9278 # correct SSSR count
205: ok 9279 # ring membership passed
205: ok 9280 # correct SSSR count
205: ok 9281 # ring membership passed
205: ok 9282 # correct SSSR count
205: ok 9283 # ring membership passed
205: ok 9284 # correct SSSR count
205: ok 9285 # ring membership passed
205: ok 9286 # correct SSSR count
205: ok 9287 # ring membership passed
205: ok 9288 # correct SSSR count
205: ok 9289 # ring membership passed
205: ok 9290 # correct SSSR count
205: ok 9291 # ring membership passed
205: ok 9292 # correct SSSR count
205: ok 9293 # ring membership passed
205: ok 9294 # correct SSSR count
205: ok 9295 # ring membership passed
205: ok 9296 # correct SSSR count
205: ok 9297 # ring membership passed
205: ok 9298 # correct SSSR count
205: ok 9299 # ring membership passed
205: ok 9300 # correct SSSR count
205: ok 9301 # ring membership passed
205: ok 9302 # correct SSSR count
205: ok 9303 # ring membership passed
205: ok 9304 # correct SSSR count
205: ok 9305 # ring membership passed
205: ok 9306 # correct SSSR count
205: ok 9307 # ring membership passed
205: ok 9308 # correct SSSR count
205: ok 9309 # ring membership passed
205: ok 9310 # correct SSSR count
205: ok 9311 # ring membership passed
205: ok 9312 # correct ring bond data
205: ok 9313 # correct ring bond data
205: ok 9314 # correct ring bond data
205: ok 9315 # correct ring bond data
205: ok 9316 # correct ring bond data
205: ok 9317 # correct ring bond data
205: ok 9318 # correct ring bond data
205: ok 9319 # correct ring bond data
205: ok 9320 # correct ring bond data
205: ok 9321 # correct ring bond data
205: ok 9322 # correct ring bond data
205: ok 9323 # correct ring bond data
205: ok 9324 # correct ring bond data
205: ok 9325 # correct ring bond data
205: ok 9326 # correct ring bond data
205: ok 9327 # correct ring bond data
205: ok 9328 # correct ring bond data
205: ok 9329 # correct ring bond data
205: ok 9330 # correct ring bond data
205: ok 9331 # correct ring bond data
205: ok 9332 # correct ring bond data
205: ok 9333 # correct ring bond data
205: ok 9334 # correct ring bond data
205: ok 9335 # correct ring bond data
205: ok 9336 # correct ring bond data
205: ok 9337 # SSSR size matches reference
205: ok 9338 # correct SSSR count
205: ok 9339 # ring membership passed
205: ok 9340 # correct SSSR count
205: ok 9341 # ring membership passed
205: ok 9342 # correct SSSR count
205: ok 9343 # ring membership passed
205: ok 9344 # correct SSSR count
205: ok 9345 # ring membership passed
205: ok 9346 # correct SSSR count
205: ok 9347 # ring membership passed
205: ok 9348 # correct SSSR count
205: ok 9349 # ring membership passed
205: ok 9350 # correct SSSR count
205: ok 9351 # ring membership passed
205: ok 9352 # correct SSSR count
205: ok 9353 # ring membership passed
205: ok 9354 # correct SSSR count
205: ok 9355 # ring membership passed
205: ok 9356 # correct SSSR count
205: ok 9357 # ring membership passed
205: ok 9358 # correct SSSR count
205: ok 9359 # ring membership passed
205: ok 9360 # correct SSSR count
205: ok 9361 # ring membership passed
205: ok 9362 # correct SSSR count
205: ok 9363 # ring membership passed
205: ok 9364 # correct SSSR count
205: ok 9365 # ring membership passed
205: ok 9366 # correct SSSR count
205: ok 9367 # ring membership passed
205: ok 9368 # correct SSSR count
205: ok 9369 # ring membership passed
205: ok 9370 # correct SSSR count
205: ok 9371 # ring membership passed
205: ok 9372 # correct SSSR count
205: ok 9373 # ring membership passed
205: ok 9374 # correct SSSR count
205: ok 9375 # ring membership passed
205: ok 9376 # correct SSSR count
205: ok 9377 # ring membership passed
205: ok 9378 # correct SSSR count
205: ok 9379 # ring membership passed
205: ok 9380 # correct SSSR count
205: ok 9381 # ring membership passed
205: ok 9382 # correct ring bond data
205: ok 9383 # correct ring bond data
205: ok 9384 # correct ring bond data
205: ok 9385 # correct ring bond data
205: ok 9386 # correct ring bond data
205: ok 9387 # correct ring bond data
205: ok 9388 # correct ring bond data
205: ok 9389 # correct ring bond data
205: ok 9390 # correct ring bond data
205: ok 9391 # correct ring bond data
205: ok 9392 # correct ring bond data
205: ok 9393 # correct ring bond data
205: ok 9394 # correct ring bond data
205: ok 9395 # correct ring bond data
205: ok 9396 # correct ring bond data
205: ok 9397 # correct ring bond data
205: ok 9398 # correct ring bond data
205: ok 9399 # correct ring bond data
205: ok 9400 # SSSR size matches reference
205: ok 9401 # correct SSSR count
205: ok 9402 # ring membership passed
205: ok 9403 # correct SSSR count
205: ok 9404 # ring membership passed
205: ok 9405 # correct SSSR count
205: ok 9406 # ring membership passed
205: ok 9407 # correct SSSR count
205: ok 9408 # ring membership passed
205: ok 9409 # correct SSSR count
205: ok 9410 # ring membership passed
205: ok 9411 # correct SSSR count
205: ok 9412 # ring membership passed
205: ok 9413 # correct SSSR count
205: ok 9414 # ring membership passed
205: ok 9415 # correct SSSR count
205: ok 9416 # ring membership passed
205: ok 9417 # correct SSSR count
205: ok 9418 # ring membership passed
205: ok 9419 # correct SSSR count
205: ok 9420 # ring membership passed
205: ok 9421 # correct SSSR count
205: ok 9422 # ring membership passed
205: ok 9423 # correct SSSR count
205: ok 9424 # ring membership passed
205: ok 9425 # correct SSSR count
205: ok 9426 # ring membership passed
205: ok 9427 # correct SSSR count
205: ok 9428 # ring membership passed
205: ok 9429 # correct SSSR count
205: ok 9430 # ring membership passed
205: ok 9431 # correct SSSR count
205: ok 9432 # ring membership passed
205: ok 9433 # correct SSSR count
205: ok 9434 # ring membership passed
205: ok 9435 # correct ring bond data
205: ok 9436 # correct ring bond data
205: ok 9437 # correct ring bond data
205: ok 9438 # correct ring bond data
205: ok 9439 # correct ring bond data
205: ok 9440 # correct ring bond data
205: ok 9441 # correct ring bond data
205: ok 9442 # correct ring bond data
205: ok 9443 # correct ring bond data
205: ok 9444 # correct ring bond data
205: ok 9445 # correct ring bond data
205: ok 9446 # correct ring bond data
205: ok 9447 # correct ring bond data
205: ok 9448 # correct ring bond data
205: ok 9449 # correct ring bond data
205: ok 9450 # correct ring bond data
205: ok 9451 # correct ring bond data
205: ok 9452 # correct ring bond data
205: ok 9453 # correct ring bond data
205: ok 9454 # correct ring bond data
205: ok 9455 # correct ring bond data
205: ok 9456 # correct ring bond data
205: ok 9457 # correct ring bond data
205: ok 9458 # correct ring bond data
205: ok 9459 # correct ring bond data
205: ok 9460 # correct ring bond data
205: ok 9461 # correct ring bond data
205: ok 9462 # SSSR size matches reference
205: ok 9463 # correct SSSR count
205: ok 9464 # ring membership passed
205: ok 9465 # correct SSSR count
205: ok 9466 # ring membership passed
205: ok 9467 # correct SSSR count
205: ok 9468 # ring membership passed
205: ok 9469 # correct SSSR count
205: ok 9470 # ring membership passed
205: ok 9471 # correct SSSR count
205: ok 9472 # ring membership passed
205: ok 9473 # correct SSSR count
205: ok 9474 # ring membership passed
205: ok 9475 # correct SSSR count
205: ok 9476 # ring membership passed
205: ok 9477 # correct SSSR count
205: ok 9478 # ring membership passed
205: ok 9479 # correct SSSR count
205: ok 9480 # ring membership passed
205: ok 9481 # correct SSSR count
205: ok 9482 # ring membership passed
205: ok 9483 # correct SSSR count
205: ok 9484 # ring membership passed
205: ok 9485 # correct SSSR count
205: ok 9486 # ring membership passed
205: ok 9487 # correct SSSR count
205: ok 9488 # ring membership passed
205: ok 9489 # correct SSSR count
205: ok 9490 # ring membership passed
205: ok 9491 # correct SSSR count
205: ok 9492 # ring membership passed
205: ok 9493 # correct SSSR count
205: ok 9494 # ring membership passed
205: ok 9495 # correct SSSR count
205: ok 9496 # ring membership passed
205: ok 9497 # correct SSSR count
205: ok 9498 # ring membership passed
205: ok 9499 # correct SSSR count
205: ok 9500 # ring membership passed
205: ok 9501 # correct SSSR count
205: ok 9502 # ring membership passed
205: ok 9503 # correct SSSR count
205: ok 9504 # ring membership passed
205: ok 9505 # correct SSSR count
205: ok 9506 # ring membership passed
205: ok 9507 # correct SSSR count
205: ok 9508 # ring membership passed
205: ok 9509 # correct SSSR count
205: ok 9510 # ring membership passed
205: ok 9511 # correct SSSR count
205: ok 9512 # ring membership passed
205: ok 9513 # correct ring bond data
205: ok 9514 # correct ring bond data
205: ok 9515 # correct ring bond data
205: ok 9516 # correct ring bond data
205: ok 9517 # correct ring bond data
205: ok 9518 # correct ring bond data
205: ok 9519 # correct ring bond data
205: ok 9520 # correct ring bond data
205: ok 9521 # correct ring bond data
205: ok 9522 # correct ring bond data
205: ok 9523 # correct ring bond data
205: ok 9524 # correct ring bond data
205: ok 9525 # correct ring bond data
205: ok 9526 # correct ring bond data
205: ok 9527 # correct ring bond data
205: ok 9528 # correct ring bond data
205: ok 9529 # correct ring bond data
205: ok 9530 # correct ring bond data
205: ok 9531 # correct ring bond data
205: ok 9532 # correct ring bond data
205: ok 9533 # correct ring bond data
205: ok 9534 # correct ring bond data
205: ok 9535 # correct ring bond data
205: ok 9536 # correct ring bond data
205: ok 9537 # SSSR size matches reference
205: ok 9538 # correct SSSR count
205: ok 9539 # ring membership passed
205: ok 9540 # correct SSSR count
205: ok 9541 # ring membership passed
205: ok 9542 # correct SSSR count
205: ok 9543 # ring membership passed
205: ok 9544 # correct SSSR count
205: ok 9545 # ring membership passed
205: ok 9546 # correct SSSR count
205: ok 9547 # ring membership passed
205: ok 9548 # correct SSSR count
205: ok 9549 # ring membership passed
205: ok 9550 # correct SSSR count
205: ok 9551 # ring membership passed
205: ok 9552 # correct SSSR count
205: ok 9553 # ring membership passed
205: ok 9554 # correct SSSR count
205: ok 9555 # ring membership passed
205: ok 9556 # correct SSSR count
205: ok 9557 # ring membership passed
205: ok 9558 # correct SSSR count
205: ok 9559 # ring membership passed
205: ok 9560 # correct SSSR count
205: ok 9561 # ring membership passed
205: ok 9562 # correct SSSR count
205: ok 9563 # ring membership passed
205: ok 9564 # correct SSSR count
205: ok 9565 # ring membership passed
205: ok 9566 # correct SSSR count
205: ok 9567 # ring membership passed
205: ok 9568 # correct SSSR count
205: ok 9569 # ring membership passed
205: ok 9570 # correct SSSR count
205: ok 9571 # ring membership passed
205: ok 9572 # correct SSSR count
205: ok 9573 # ring membership passed
205: ok 9574 # correct SSSR count
205: ok 9575 # ring membership passed
205: ok 9576 # correct SSSR count
205: ok 9577 # ring membership passed
205: ok 9578 # correct SSSR count
205: ok 9579 # ring membership passed
205: ok 9580 # correct SSSR count
205: ok 9581 # ring membership passed
205: ok 9582 # correct SSSR count
205: ok 9583 # ring membership passed
205: ok 9584 # correct ring bond data
205: ok 9585 # correct ring bond data
205: ok 9586 # correct ring bond data
205: ok 9587 # correct ring bond data
205: ok 9588 # correct ring bond data
205: ok 9589 # correct ring bond data
205: ok 9590 # correct ring bond data
205: ok 9591 # correct ring bond data
205: ok 9592 # correct ring bond data
205: ok 9593 # correct ring bond data
205: ok 9594 # correct ring bond data
205: ok 9595 # correct ring bond data
205: ok 9596 # correct ring bond data
205: ok 9597 # correct ring bond data
205: ok 9598 # correct ring bond data
205: ok 9599 # correct ring bond data
205: ok 9600 # correct ring bond data
205: ok 9601 # correct ring bond data
205: ok 9602 # correct ring bond data
205: ok 9603 # correct ring bond data
205: ok 9604 # correct ring bond data
205: ok 9605 # correct ring bond data
205: ok 9606 # correct ring bond data
205: ok 9607 # correct ring bond data
205: ok 9608 # SSSR size matches reference
205: ok 9609 # correct SSSR count
205: ok 9610 # ring membership passed
205: ok 9611 # correct SSSR count
205: ok 9612 # ring membership passed
205: ok 9613 # correct SSSR count
205: ok 9614 # ring membership passed
205: ok 9615 # correct SSSR count
205: ok 9616 # ring membership passed
205: ok 9617 # correct SSSR count
205: ok 9618 # ring membership passed
205: ok 9619 # correct SSSR count
205: ok 9620 # ring membership passed
205: ok 9621 # correct SSSR count
205: ok 9622 # ring membership passed
205: ok 9623 # correct SSSR count
205: ok 9624 # ring membership passed
205: ok 9625 # correct SSSR count
205: ok 9626 # ring membership passed
205: ok 9627 # correct SSSR count
205: ok 9628 # ring membership passed
205: ok 9629 # correct SSSR count
205: ok 9630 # ring membership passed
205: ok 9631 # correct SSSR count
205: ok 9632 # ring membership passed
205: ok 9633 # correct SSSR count
205: ok 9634 # ring membership passed
205: ok 9635 # correct SSSR count
205: ok 9636 # ring membership passed
205: ok 9637 # correct SSSR count
205: ok 9638 # ring membership passed
205: ok 9639 # correct SSSR count
205: ok 9640 # ring membership passed
205: ok 9641 # correct SSSR count
205: ok 9642 # ring membership passed
205: ok 9643 # correct SSSR count
205: ok 9644 # ring membership passed
205: ok 9645 # correct SSSR count
205: ok 9646 # ring membership passed
205: ok 9647 # correct SSSR count
205: ok 9648 # ring membership passed
205: ok 9649 # correct SSSR count
205: ok 9650 # ring membership passed
205: ok 9651 # correct SSSR count
205: ok 9652 # ring membership passed
205: ok 9653 # correct ring bond data
205: ok 9654 # correct ring bond data
205: ok 9655 # correct ring bond data
205: ok 9656 # correct ring bond data
205: ok 9657 # correct ring bond data
205: ok 9658 # correct ring bond data
205: ok 9659 # correct ring bond data
205: ok 9660 # correct ring bond data
205: ok 9661 # correct ring bond data
205: ok 9662 # correct ring bond data
205: ok 9663 # correct ring bond data
205: ok 9664 # correct ring bond data
205: ok 9665 # correct ring bond data
205: ok 9666 # correct ring bond data
205: ok 9667 # correct ring bond data
205: ok 9668 # correct ring bond data
205: ok 9669 # correct ring bond data
205: ok 9670 # correct ring bond data
205: ok 9671 # correct ring bond data
205: ok 9672 # correct ring bond data
205: ok 9673 # correct ring bond data
205: ok 9674 # correct ring bond data
205: ok 9675 # correct ring bond data
205: ok 9676 # correct ring bond data
205: ok 9677 # correct ring bond data
205: ok 9678 # correct ring bond data
205: ok 9679 # correct ring bond data
205: ok 9680 # correct ring bond data
205: ok 9681 # correct ring bond data
205: ok 9682 # SSSR size matches reference
205: ok 9683 # correct SSSR count
205: ok 9684 # ring membership passed
205: ok 9685 # correct SSSR count
205: ok 9686 # ring membership passed
205: ok 9687 # correct SSSR count
205: ok 9688 # ring membership passed
205: ok 9689 # correct SSSR count
205: ok 9690 # ring membership passed
205: ok 9691 # correct SSSR count
205: ok 9692 # ring membership passed
205: ok 9693 # correct SSSR count
205: ok 9694 # ring membership passed
205: ok 9695 # correct SSSR count
205: ok 9696 # ring membership passed
205: ok 9697 # correct SSSR count
205: ok 9698 # ring membership passed
205: ok 9699 # correct SSSR count
205: ok 9700 # ring membership passed
205: ok 9701 # correct SSSR count
205: ok 9702 # ring membership passed
205: ok 9703 # correct SSSR count
205: ok 9704 # ring membership passed
205: ok 9705 # correct SSSR count
205: ok 9706 # ring membership passed
205: ok 9707 # correct SSSR count
205: ok 9708 # ring membership passed
205: ok 9709 # correct SSSR count
205: ok 9710 # ring membership passed
205: ok 9711 # correct SSSR count
205: ok 9712 # ring membership passed
205: ok 9713 # correct SSSR count
205: ok 9714 # ring membership passed
205: ok 9715 # correct SSSR count
205: ok 9716 # ring membership passed
205: ok 9717 # correct SSSR count
205: ok 9718 # ring membership passed
205: ok 9719 # correct SSSR count
205: ok 9720 # ring membership passed
205: ok 9721 # correct SSSR count
205: ok 9722 # ring membership passed
205: ok 9723 # correct SSSR count
205: ok 9724 # ring membership passed
205: ok 9725 # correct SSSR count
205: ok 9726 # ring membership passed
205: ok 9727 # correct SSSR count
205: ok 9728 # ring membership passed
205: ok 9729 # correct SSSR count
205: ok 9730 # ring membership passed
205: ok 9731 # correct SSSR count
205: ok 9732 # ring membership passed
205: ok 9733 # correct SSSR count
205: ok 9734 # ring membership passed
205: ok 9735 # correct SSSR count
205: ok 9736 # ring membership passed
205: ok 9737 # correct ring bond data
205: ok 9738 # correct ring bond data
205: ok 9739 # correct ring bond data
205: ok 9740 # correct ring bond data
205: ok 9741 # correct ring bond data
205: ok 9742 # correct ring bond data
205: ok 9743 # correct ring bond data
205: ok 9744 # correct ring bond data
205: ok 9745 # correct ring bond data
205: ok 9746 # correct ring bond data
205: ok 9747 # correct ring bond data
205: ok 9748 # correct ring bond data
205: ok 9749 # correct ring bond data
205: ok 9750 # correct ring bond data
205: ok 9751 # correct ring bond data
205: ok 9752 # correct ring bond data
205: ok 9753 # correct ring bond data
205: ok 9754 # correct ring bond data
205: ok 9755 # correct ring bond data
205: ok 9756 # correct ring bond data
205: ok 9757 # correct ring bond data
205: ok 9758 # correct ring bond data
205: ok 9759 # correct ring bond data
205: ok 9760 # correct ring bond data
205: ok 9761 # correct ring bond data
205: ok 9762 # correct ring bond data
205: ok 9763 # correct ring bond data
205: ok 9764 # correct ring bond data
205: ok 9765 # correct ring bond data
205: ok 9766 # SSSR size matches reference
205: ok 9767 # correct SSSR count
205: ok 9768 # ring membership passed
205: ok 9769 # correct SSSR count
205: ok 9770 # ring membership passed
205: ok 9771 # correct SSSR count
205: ok 9772 # ring membership passed
205: ok 9773 # correct SSSR count
205: ok 9774 # ring membership passed
205: ok 9775 # correct SSSR count
205: ok 9776 # ring membership passed
205: ok 9777 # correct SSSR count
205: ok 9778 # ring membership passed
205: ok 9779 # correct SSSR count
205: ok 9780 # ring membership passed
205: ok 9781 # correct SSSR count
205: ok 9782 # ring membership passed
205: ok 9783 # correct SSSR count
205: ok 9784 # ring membership passed
205: ok 9785 # correct SSSR count
205: ok 9786 # ring membership passed
205: ok 9787 # correct SSSR count
205: ok 9788 # ring membership passed
205: ok 9789 # correct SSSR count
205: ok 9790 # ring membership passed
205: ok 9791 # correct SSSR count
205: ok 9792 # ring membership passed
205: ok 9793 # correct SSSR count
205: ok 9794 # ring membership passed
205: ok 9795 # correct SSSR count
205: ok 9796 # ring membership passed
205: ok 9797 # correct SSSR count
205: ok 9798 # ring membership passed
205: ok 9799 # correct SSSR count
205: ok 9800 # ring membership passed
205: ok 9801 # correct SSSR count
205: ok 9802 # ring membership passed
205: ok 9803 # correct SSSR count
205: ok 9804 # ring membership passed
205: ok 9805 # correct SSSR count
205: ok 9806 # ring membership passed
205: ok 9807 # correct SSSR count
205: ok 9808 # ring membership passed
205: ok 9809 # correct SSSR count
205: ok 9810 # ring membership passed
205: ok 9811 # correct SSSR count
205: ok 9812 # ring membership passed
205: ok 9813 # correct SSSR count
205: ok 9814 # ring membership passed
205: ok 9815 # correct SSSR count
205: ok 9816 # ring membership passed
205: ok 9817 # correct SSSR count
205: ok 9818 # ring membership passed
205: ok 9819 # correct SSSR count
205: ok 9820 # ring membership passed
205: ok 9821 # correct ring bond data
205: ok 9822 # correct ring bond data
205: ok 9823 # correct ring bond data
205: ok 9824 # correct ring bond data
205: ok 9825 # correct ring bond data
205: ok 9826 # correct ring bond data
205: ok 9827 # correct ring bond data
205: ok 9828 # correct ring bond data
205: ok 9829 # correct ring bond data
205: ok 9830 # correct ring bond data
205: ok 9831 # correct ring bond data
205: ok 9832 # correct ring bond data
205: ok 9833 # correct ring bond data
205: ok 9834 # correct ring bond data
205: ok 9835 # correct ring bond data
205: ok 9836 # correct ring bond data
205: ok 9837 # correct ring bond data
205: ok 9838 # SSSR size matches reference
205: ok 9839 # correct SSSR count
205: ok 9840 # ring membership passed
205: ok 9841 # correct SSSR count
205: ok 9842 # ring membership passed
205: ok 9843 # correct SSSR count
205: ok 9844 # ring membership passed
205: ok 9845 # correct SSSR count
205: ok 9846 # ring membership passed
205: ok 9847 # correct SSSR count
205: ok 9848 # ring membership passed
205: ok 9849 # correct SSSR count
205: ok 9850 # ring membership passed
205: ok 9851 # correct SSSR count
205: ok 9852 # ring membership passed
205: ok 9853 # correct SSSR count
205: ok 9854 # ring membership passed
205: ok 9855 # correct SSSR count
205: ok 9856 # ring membership passed
205: ok 9857 # correct SSSR count
205: ok 9858 # ring membership passed
205: ok 9859 # correct SSSR count
205: ok 9860 # ring membership passed
205: ok 9861 # correct SSSR count
205: ok 9862 # ring membership passed
205: ok 9863 # correct SSSR count
205: ok 9864 # ring membership passed
205: ok 9865 # correct SSSR count
205: ok 9866 # ring membership passed
205: ok 9867 # correct SSSR count
205: ok 9868 # ring membership passed
205: ok 9869 # correct SSSR count
205: ok 9870 # ring membership passed
205: ok 9871 # correct ring bond data
205: ok 9872 # correct ring bond data
205: ok 9873 # correct ring bond data
205: ok 9874 # correct ring bond data
205: ok 9875 # correct ring bond data
205: ok 9876 # correct ring bond data
205: ok 9877 # correct ring bond data
205: ok 9878 # correct ring bond data
205: ok 9879 # correct ring bond data
205: ok 9880 # correct ring bond data
205: ok 9881 # correct ring bond data
205: ok 9882 # correct ring bond data
205: ok 9883 # correct ring bond data
205: ok 9884 # correct ring bond data
205: ok 9885 # correct ring bond data
205: ok 9886 # correct ring bond data
205: ok 9887 # correct ring bond data
205: ok 9888 # correct ring bond data
205: ok 9889 # SSSR size matches reference
205: ok 9890 # correct SSSR count
205: ok 9891 # ring membership passed
205: ok 9892 # correct SSSR count
205: ok 9893 # ring membership passed
205: ok 9894 # correct SSSR count
205: ok 9895 # ring membership passed
205: ok 9896 # correct SSSR count
205: ok 9897 # ring membership passed
205: ok 9898 # correct SSSR count
205: ok 9899 # ring membership passed
205: ok 9900 # correct SSSR count
205: ok 9901 # ring membership passed
205: ok 9902 # correct SSSR count
205: ok 9903 # ring membership passed
205: ok 9904 # correct SSSR count
205: ok 9905 # ring membership passed
205: ok 9906 # correct SSSR count
205: ok 9907 # ring membership passed
205: ok 9908 # correct SSSR count
205: ok 9909 # ring membership passed
205: ok 9910 # correct SSSR count
205: ok 9911 # ring membership passed
205: ok 9912 # correct SSSR count
205: ok 9913 # ring membership passed
205: ok 9914 # correct SSSR count
205: ok 9915 # ring membership passed
205: ok 9916 # correct SSSR count
205: ok 9917 # ring membership passed
205: ok 9918 # correct SSSR count
205: ok 9919 # ring membership passed
205: ok 9920 # correct SSSR count
205: ok 9921 # ring membership passed
205: ok 9922 # correct SSSR count
205: ok 9923 # ring membership passed
205: ok 9924 # correct SSSR count
205: ok 9925 # ring membership passed
205: ok 9926 # correct ring bond data
205: ok 9927 # correct ring bond data
205: ok 9928 # correct ring bond data
205: ok 9929 # correct ring bond data
205: ok 9930 # correct ring bond data
205: ok 9931 # correct ring bond data
205: ok 9932 # correct ring bond data
205: ok 9933 # correct ring bond data
205: ok 9934 # correct ring bond data
205: ok 9935 # correct ring bond data
205: ok 9936 # correct ring bond data
205: ok 9937 # correct ring bond data
205: ok 9938 # correct ring bond data
205: ok 9939 # correct ring bond data
205: ok 9940 # correct ring bond data
205: ok 9941 # correct ring bond data
205: ok 9942 # correct ring bond data
205: ok 9943 # correct ring bond data
205: ok 9944 # SSSR size matches reference
205: ok 9945 # correct SSSR count
205: ok 9946 # ring membership passed
205: ok 9947 # correct SSSR count
205: ok 9948 # ring membership passed
205: ok 9949 # correct SSSR count
205: ok 9950 # ring membership passed
205: ok 9951 # correct SSSR count
205: ok 9952 # ring membership passed
205: ok 9953 # correct SSSR count
205: ok 9954 # ring membership passed
205: ok 9955 # correct SSSR count
205: ok 9956 # ring membership passed
205: ok 9957 # correct SSSR count
205: ok 9958 # ring membership passed
205: ok 9959 # correct SSSR count
205: ok 9960 # ring membership passed
205: ok 9961 # correct SSSR count
205: ok 9962 # ring membership passed
205: ok 9963 # correct SSSR count
205: ok 9964 # ring membership passed
205: ok 9965 # correct SSSR count
205: ok 9966 # ring membership passed
205: ok 9967 # correct SSSR count
205: ok 9968 # ring membership passed
205: ok 9969 # correct SSSR count
205: ok 9970 # ring membership passed
205: ok 9971 # correct SSSR count
205: ok 9972 # ring membership passed
205: ok 9973 # correct SSSR count
205: ok 9974 # ring membership passed
205: ok 9975 # correct SSSR count
205: ok 9976 # ring membership passed
205: ok 9977 # correct SSSR count
205: ok 9978 # ring membership passed
205: ok 9979 # correct SSSR count
205: ok 9980 # ring membership passed
205: ok 9981 # correct ring bond data
205: ok 9982 # correct ring bond data
205: ok 9983 # correct ring bond data
205: ok 9984 # correct ring bond data
205: ok 9985 # correct ring bond data
205: ok 9986 # correct ring bond data
205: ok 9987 # correct ring bond data
205: ok 9988 # correct ring bond data
205: ok 9989 # correct ring bond data
205: ok 9990 # correct ring bond data
205: ok 9991 # correct ring bond data
205: ok 9992 # correct ring bond data
205: ok 9993 # correct ring bond data
205: ok 9994 # correct ring bond data
205: ok 9995 # correct ring bond data
205: ok 9996 # correct ring bond data
205: ok 9997 # correct ring bond data
205: ok 9998 # correct ring bond data
205: ok 9999 # SSSR size matches reference
205: ok 10000 # correct SSSR count
205: ok 10001 # ring membership passed
205: ok 10002 # correct SSSR count
205: ok 10003 # ring membership passed
205: ok 10004 # correct SSSR count
205: ok 10005 # ring membership passed
205: ok 10006 # correct SSSR count
205: ok 10007 # ring membership passed
205: ok 10008 # correct SSSR count
205: ok 10009 # ring membership passed
205: ok 10010 # correct SSSR count
205: ok 10011 # ring membership passed
205: ok 10012 # correct SSSR count
205: ok 10013 # ring membership passed
205: ok 10014 # correct SSSR count
205: ok 10015 # ring membership passed
205: ok 10016 # correct SSSR count
205: ok 10017 # ring membership passed
205: ok 10018 # correct SSSR count
205: ok 10019 # ring membership passed
205: ok 10020 # correct SSSR count
205: ok 10021 # ring membership passed
205: ok 10022 # correct SSSR count
205: ok 10023 # ring membership passed
205: ok 10024 # correct SSSR count
205: ok 10025 # ring membership passed
205: ok 10026 # correct SSSR count
205: ok 10027 # ring membership passed
205: ok 10028 # correct SSSR count
205: ok 10029 # ring membership passed
205: ok 10030 # correct SSSR count
205: ok 10031 # ring membership passed
205: ok 10032 # correct SSSR count
205: ok 10033 # ring membership passed
205: ok 10034 # correct SSSR count
205: ok 10035 # ring membership passed
205: ok 10036 # correct ring bond data
205: ok 10037 # correct ring bond data
205: ok 10038 # correct ring bond data
205: ok 10039 # correct ring bond data
205: ok 10040 # correct ring bond data
205: ok 10041 # correct ring bond data
205: ok 10042 # correct ring bond data
205: ok 10043 # correct ring bond data
205: ok 10044 # correct ring bond data
205: ok 10045 # correct ring bond data
205: ok 10046 # correct ring bond data
205: ok 10047 # correct ring bond data
205: ok 10048 # correct ring bond data
205: ok 10049 # correct ring bond data
205: ok 10050 # correct ring bond data
205: ok 10051 # correct ring bond data
205: ok 10052 # correct ring bond data
205: ok 10053 # correct ring bond data
205: ok 10054 # correct ring bond data
205: ok 10055 # correct ring bond data
205: ok 10056 # correct ring bond data
205: ok 10057 # correct ring bond data
205: ok 10058 # correct ring bond data
205: ok 10059 # correct ring bond data
205: ok 10060 # correct ring bond data
205: ok 10061 # correct ring bond data
205: ok 10062 # correct ring bond data
205: ok 10063 # correct ring bond data
205: ok 10064 # correct ring bond data
205: ok 10065 # correct ring bond data
205: ok 10066 # correct ring bond data
205: ok 10067 # SSSR size matches reference
205: ok 10068 # correct SSSR count
205: ok 10069 # ring membership passed
205: ok 10070 # correct SSSR count
205: ok 10071 # ring membership passed
205: ok 10072 # correct SSSR count
205: ok 10073 # ring membership passed
205: ok 10074 # correct SSSR count
205: ok 10075 # ring membership passed
205: ok 10076 # correct SSSR count
205: ok 10077 # ring membership passed
205: ok 10078 # correct SSSR count
205: ok 10079 # ring membership passed
205: ok 10080 # correct SSSR count
205: ok 10081 # ring membership passed
205: ok 10082 # correct SSSR count
205: ok 10083 # ring membership passed
205: ok 10084 # correct SSSR count
205: ok 10085 # ring membership passed
205: ok 10086 # correct SSSR count
205: ok 10087 # ring membership passed
205: ok 10088 # correct SSSR count
205: ok 10089 # ring membership passed
205: ok 10090 # correct SSSR count
205: ok 10091 # ring membership passed
205: ok 10092 # correct SSSR count
205: ok 10093 # ring membership passed
205: ok 10094 # correct SSSR count
205: ok 10095 # ring membership passed
205: ok 10096 # correct SSSR count
205: ok 10097 # ring membership passed
205: ok 10098 # correct SSSR count
205: ok 10099 # ring membership passed
205: ok 10100 # correct SSSR count
205: ok 10101 # ring membership passed
205: ok 10102 # correct SSSR count
205: ok 10103 # ring membership passed
205: ok 10104 # correct SSSR count
205: ok 10105 # ring membership passed
205: ok 10106 # correct SSSR count
205: ok 10107 # ring membership passed
205: ok 10108 # correct SSSR count
205: ok 10109 # ring membership passed
205: ok 10110 # correct SSSR count
205: ok 10111 # ring membership passed
205: ok 10112 # correct SSSR count
205: ok 10113 # ring membership passed
205: ok 10114 # correct SSSR count
205: ok 10115 # ring membership passed
205: ok 10116 # correct SSSR count
205: ok 10117 # ring membership passed
205: ok 10118 # correct SSSR count
205: ok 10119 # ring membership passed
205: ok 10120 # correct SSSR count
205: ok 10121 # ring membership passed
205: ok 10122 # correct SSSR count
205: ok 10123 # ring membership passed
205: ok 10124 # correct ring bond data
205: ok 10125 # correct ring bond data
205: ok 10126 # correct ring bond data
205: ok 10127 # correct ring bond data
205: ok 10128 # correct ring bond data
205: ok 10129 # correct ring bond data
205: ok 10130 # correct ring bond data
205: ok 10131 # correct ring bond data
205: ok 10132 # correct ring bond data
205: ok 10133 # correct ring bond data
205: ok 10134 # SSSR size matches reference
205: ok 10135 # correct SSSR count
205: ok 10136 # ring membership passed
205: ok 10137 # correct SSSR count
205: ok 10138 # ring membership passed
205: ok 10139 # correct SSSR count
205: ok 10140 # ring membership passed
205: ok 10141 # correct SSSR count
205: ok 10142 # ring membership passed
205: ok 10143 # correct SSSR count
205: ok 10144 # ring membership passed
205: ok 10145 # correct SSSR count
205: ok 10146 # ring membership passed
205: ok 10147 # correct SSSR count
205: ok 10148 # ring membership passed
205: ok 10149 # correct SSSR count
205: ok 10150 # ring membership passed
205: ok 10151 # correct SSSR count
205: ok 10152 # ring membership passed
205: ok 10153 # correct SSSR count
205: ok 10154 # ring membership passed
205: ok 10155 # correct ring bond data
205: ok 10156 # correct ring bond data
205: ok 10157 # correct ring bond data
205: ok 10158 # correct ring bond data
205: ok 10159 # correct ring bond data
205: ok 10160 # correct ring bond data
205: ok 10161 # correct ring bond data
205: ok 10162 # correct ring bond data
205: ok 10163 # correct ring bond data
205: ok 10164 # correct ring bond data
205: ok 10165 # correct ring bond data
205: ok 10166 # correct ring bond data
205: ok 10167 # correct ring bond data
205: ok 10168 # correct ring bond data
205: ok 10169 # correct ring bond data
205: ok 10170 # correct ring bond data
205: ok 10171 # correct ring bond data
205: ok 10172 # correct ring bond data
205: ok 10173 # correct ring bond data
205: ok 10174 # correct ring bond data
205: ok 10175 # SSSR size matches reference
205: ok 10176 # correct SSSR count
205: ok 10177 # ring membership passed
205: ok 10178 # correct SSSR count
205: ok 10179 # ring membership passed
205: ok 10180 # correct SSSR count
205: ok 10181 # ring membership passed
205: ok 10182 # correct SSSR count
205: ok 10183 # ring membership passed
205: ok 10184 # correct SSSR count
205: ok 10185 # ring membership passed
205: ok 10186 # correct SSSR count
205: ok 10187 # ring membership passed
205: ok 10188 # correct SSSR count
205: ok 10189 # ring membership passed
205: ok 10190 # correct SSSR count
205: ok 10191 # ring membership passed
205: ok 10192 # correct SSSR count
205: ok 10193 # ring membership passed
205: ok 10194 # correct SSSR count
205: ok 10195 # ring membership passed
205: ok 10196 # correct SSSR count
205: ok 10197 # ring membership passed
205: ok 10198 # correct SSSR count
205: ok 10199 # ring membership passed
205: ok 10200 # correct SSSR count
205: ok 10201 # ring membership passed
205: ok 10202 # correct SSSR count
205: ok 10203 # ring membership passed
205: ok 10204 # correct SSSR count
205: ok 10205 # ring membership passed
205: ok 10206 # correct SSSR count
205: ok 10207 # ring membership passed
205: ok 10208 # correct SSSR count
205: ok 10209 # ring membership passed
205: ok 10210 # correct SSSR count
205: ok 10211 # ring membership passed
205: ok 10212 # correct SSSR count
205: ok 10213 # ring membership passed
205: ok 10214 # correct SSSR count
205: ok 10215 # ring membership passed
205: ok 10216 # correct ring bond data
205: ok 10217 # correct ring bond data
205: ok 10218 # correct ring bond data
205: ok 10219 # correct ring bond data
205: ok 10220 # correct ring bond data
205: ok 10221 # correct ring bond data
205: ok 10222 # correct ring bond data
205: ok 10223 # correct ring bond data
205: ok 10224 # correct ring bond data
205: ok 10225 # correct ring bond data
205: ok 10226 # correct ring bond data
205: ok 10227 # correct ring bond data
205: ok 10228 # correct ring bond data
205: ok 10229 # correct ring bond data
205: ok 10230 # correct ring bond data
205: ok 10231 # correct ring bond data
205: ok 10232 # correct ring bond data
205: ok 10233 # correct ring bond data
205: ok 10234 # correct ring bond data
205: ok 10235 # correct ring bond data
205: ok 10236 # correct ring bond data
205: ok 10237 # correct ring bond data
205: ok 10238 # correct ring bond data
205: ok 10239 # correct ring bond data
205: ok 10240 # correct ring bond data
205: ok 10241 # correct ring bond data
205: ok 10242 # correct ring bond data
205: ok 10243 # correct ring bond data
205: ok 10244 # correct ring bond data
205: ok 10245 # SSSR size matches reference
205: ok 10246 # correct SSSR count
205: ok 10247 # ring membership passed
205: ok 10248 # correct SSSR count
205: ok 10249 # ring membership passed
205: ok 10250 # correct SSSR count
205: ok 10251 # ring membership passed
205: ok 10252 # correct SSSR count
205: ok 10253 # ring membership passed
205: ok 10254 # correct SSSR count
205: ok 10255 # ring membership passed
205: ok 10256 # correct SSSR count
205: ok 10257 # ring membership passed
205: ok 10258 # correct SSSR count
205: ok 10259 # ring membership passed
205: ok 10260 # correct SSSR count
205: ok 10261 # ring membership passed
205: ok 10262 # correct SSSR count
205: ok 10263 # ring membership passed
205: ok 10264 # correct SSSR count
205: ok 10265 # ring membership passed
205: ok 10266 # correct SSSR count
205: ok 10267 # ring membership passed
205: ok 10268 # correct SSSR count
205: ok 10269 # ring membership passed
205: ok 10270 # correct SSSR count
205: ok 10271 # ring membership passed
205: ok 10272 # correct SSSR count
205: ok 10273 # ring membership passed
205: ok 10274 # correct SSSR count
205: ok 10275 # ring membership passed
205: ok 10276 # correct SSSR count
205: ok 10277 # ring membership passed
205: ok 10278 # correct SSSR count
205: ok 10279 # ring membership passed
205: ok 10280 # correct SSSR count
205: ok 10281 # ring membership passed
205: ok 10282 # correct SSSR count
205: ok 10283 # ring membership passed
205: ok 10284 # correct SSSR count
205: ok 10285 # ring membership passed
205: ok 10286 # correct SSSR count
205: ok 10287 # ring membership passed
205: ok 10288 # correct SSSR count
205: ok 10289 # ring membership passed
205: ok 10290 # correct SSSR count
205: ok 10291 # ring membership passed
205: ok 10292 # correct SSSR count
205: ok 10293 # ring membership passed
205: ok 10294 # correct SSSR count
205: ok 10295 # ring membership passed
205: ok 10296 # correct SSSR count
205: ok 10297 # ring membership passed
205: ok 10298 # correct ring bond data
205: ok 10299 # correct ring bond data
205: ok 10300 # correct ring bond data
205: ok 10301 # correct ring bond data
205: ok 10302 # correct ring bond data
205: ok 10303 # correct ring bond data
205: ok 10304 # correct ring bond data
205: ok 10305 # correct ring bond data
205: ok 10306 # correct ring bond data
205: ok 10307 # correct ring bond data
205: ok 10308 # correct ring bond data
205: ok 10309 # correct ring bond data
205: ok 10310 # correct ring bond data
205: ok 10311 # correct ring bond data
205: ok 10312 # correct ring bond data
205: ok 10313 # correct ring bond data
205: ok 10314 # SSSR size matches reference
205: ok 10315 # correct SSSR count
205: ok 10316 # ring membership passed
205: ok 10317 # correct SSSR count
205: ok 10318 # ring membership passed
205: ok 10319 # correct SSSR count
205: ok 10320 # ring membership passed
205: ok 10321 # correct SSSR count
205: ok 10322 # ring membership passed
205: ok 10323 # correct SSSR count
205: ok 10324 # ring membership passed
205: ok 10325 # correct SSSR count
205: ok 10326 # ring membership passed
205: ok 10327 # correct SSSR count
205: ok 10328 # ring membership passed
205: ok 10329 # correct SSSR count
205: ok 10330 # ring membership passed
205: ok 10331 # correct SSSR count
205: ok 10332 # ring membership passed
205: ok 10333 # correct SSSR count
205: ok 10334 # ring membership passed
205: ok 10335 # correct SSSR count
205: ok 10336 # ring membership passed
205: ok 10337 # correct SSSR count
205: ok 10338 # ring membership passed
205: ok 10339 # correct SSSR count
205: ok 10340 # ring membership passed
205: ok 10341 # correct SSSR count
205: ok 10342 # ring membership passed
205: ok 10343 # correct SSSR count
205: ok 10344 # ring membership passed
205: ok 10345 # correct ring bond data
205: ok 10346 # correct ring bond data
205: ok 10347 # correct ring bond data
205: ok 10348 # correct ring bond data
205: ok 10349 # correct ring bond data
205: ok 10350 # correct ring bond data
205: ok 10351 # correct ring bond data
205: ok 10352 # correct ring bond data
205: ok 10353 # correct ring bond data
205: ok 10354 # correct ring bond data
205: ok 10355 # correct ring bond data
205: ok 10356 # correct ring bond data
205: ok 10357 # correct ring bond data
205: ok 10358 # correct ring bond data
205: ok 10359 # correct ring bond data
205: ok 10360 # correct ring bond data
205: ok 10361 # correct ring bond data
205: ok 10362 # correct ring bond data
205: ok 10363 # correct ring bond data
205: ok 10364 # correct ring bond data
205: ok 10365 # correct ring bond data
205: ok 10366 # SSSR size matches reference
205: ok 10367 # correct SSSR count
205: ok 10368 # ring membership passed
205: ok 10369 # correct SSSR count
205: ok 10370 # ring membership passed
205: ok 10371 # correct SSSR count
205: ok 10372 # ring membership passed
205: ok 10373 # correct SSSR count
205: ok 10374 # ring membership passed
205: ok 10375 # correct SSSR count
205: ok 10376 # ring membership passed
205: ok 10377 # correct SSSR count
205: ok 10378 # ring membership passed
205: ok 10379 # correct SSSR count
205: ok 10380 # ring membership passed
205: ok 10381 # correct SSSR count
205: ok 10382 # ring membership passed
205: ok 10383 # correct SSSR count
205: ok 10384 # ring membership passed
205: ok 10385 # correct SSSR count
205: ok 10386 # ring membership passed
205: ok 10387 # correct SSSR count
205: ok 10388 # ring membership passed
205: ok 10389 # correct SSSR count
205: ok 10390 # ring membership passed
205: ok 10391 # correct SSSR count
205: ok 10392 # ring membership passed
205: ok 10393 # correct SSSR count
205: ok 10394 # ring membership passed
205: ok 10395 # correct SSSR count
205: ok 10396 # ring membership passed
205: ok 10397 # correct SSSR count
205: ok 10398 # ring membership passed
205: ok 10399 # correct SSSR count
205: ok 10400 # ring membership passed
205: ok 10401 # correct SSSR count
205: ok 10402 # ring membership passed
205: ok 10403 # correct SSSR count
205: ok 10404 # ring membership passed
205: ok 10405 # correct SSSR count
205: ok 10406 # ring membership passed
205: ok 10407 # correct ring bond data
205: ok 10408 # correct ring bond data
205: ok 10409 # correct ring bond data
205: ok 10410 # correct ring bond data
205: ok 10411 # correct ring bond data
205: ok 10412 # correct ring bond data
205: ok 10413 # correct ring bond data
205: ok 10414 # correct ring bond data
205: ok 10415 # correct ring bond data
205: ok 10416 # correct ring bond data
205: ok 10417 # correct ring bond data
205: ok 10418 # correct ring bond data
205: ok 10419 # correct ring bond data
205: ok 10420 # correct ring bond data
205: ok 10421 # correct ring bond data
205: ok 10422 # correct ring bond data
205: ok 10423 # correct ring bond data
205: ok 10424 # correct ring bond data
205: ok 10425 # correct ring bond data
205: ok 10426 # correct ring bond data
205: ok 10427 # correct ring bond data
205: ok 10428 # correct ring bond data
205: ok 10429 # correct ring bond data
205: ok 10430 # correct ring bond data
205: ok 10431 # correct ring bond data
205: ok 10432 # correct ring bond data
205: ok 10433 # correct ring bond data
205: ok 10434 # correct ring bond data
205: ok 10435 # SSSR size matches reference
205: ok 10436 # correct SSSR count
205: ok 10437 # ring membership passed
205: ok 10438 # correct SSSR count
205: ok 10439 # ring membership passed
205: ok 10440 # correct SSSR count
205: ok 10441 # ring membership passed
205: ok 10442 # correct SSSR count
205: ok 10443 # ring membership passed
205: ok 10444 # correct SSSR count
205: ok 10445 # ring membership passed
205: ok 10446 # correct SSSR count
205: ok 10447 # ring membership passed
205: ok 10448 # correct SSSR count
205: ok 10449 # ring membership passed
205: ok 10450 # correct SSSR count
205: ok 10451 # ring membership passed
205: ok 10452 # correct SSSR count
205: ok 10453 # ring membership passed
205: ok 10454 # correct SSSR count
205: ok 10455 # ring membership passed
205: ok 10456 # correct SSSR count
205: ok 10457 # ring membership passed
205: ok 10458 # correct SSSR count
205: ok 10459 # ring membership passed
205: ok 10460 # correct SSSR count
205: ok 10461 # ring membership passed
205: ok 10462 # correct SSSR count
205: ok 10463 # ring membership passed
205: ok 10464 # correct SSSR count
205: ok 10465 # ring membership passed
205: ok 10466 # correct SSSR count
205: ok 10467 # ring membership passed
205: ok 10468 # correct SSSR count
205: ok 10469 # ring membership passed
205: ok 10470 # correct SSSR count
205: ok 10471 # ring membership passed
205: ok 10472 # correct SSSR count
205: ok 10473 # ring membership passed
205: ok 10474 # correct SSSR count
205: ok 10475 # ring membership passed
205: ok 10476 # correct SSSR count
205: ok 10477 # ring membership passed
205: ok 10478 # correct SSSR count
205: ok 10479 # ring membership passed
205: ok 10480 # correct SSSR count
205: ok 10481 # ring membership passed
205: ok 10482 # correct SSSR count
205: ok 10483 # ring membership passed
205: ok 10484 # correct SSSR count
205: ok 10485 # ring membership passed
205: ok 10486 # correct SSSR count
205: ok 10487 # ring membership passed
205: ok 10488 # correct SSSR count
205: ok 10489 # ring membership passed
205: ok 10490 # correct ring bond data
205: ok 10491 # correct ring bond data
205: ok 10492 # correct ring bond data
205: ok 10493 # correct ring bond data
205: ok 10494 # correct ring bond data
205: ok 10495 # correct ring bond data
205: ok 10496 # correct ring bond data
205: ok 10497 # correct ring bond data
205: ok 10498 # correct ring bond data
205: ok 10499 # correct ring bond data
205: ok 10500 # correct ring bond data
205: ok 10501 # correct ring bond data
205: ok 10502 # correct ring bond data
205: ok 10503 # correct ring bond data
205: ok 10504 # correct ring bond data
205: ok 10505 # correct ring bond data
205: ok 10506 # correct ring bond data
205: ok 10507 # correct ring bond data
205: ok 10508 # correct ring bond data
205: ok 10509 # SSSR size matches reference
205: ok 10510 # correct SSSR count
205: ok 10511 # ring membership passed
205: ok 10512 # correct SSSR count
205: ok 10513 # ring membership passed
205: ok 10514 # correct SSSR count
205: ok 10515 # ring membership passed
205: ok 10516 # correct SSSR count
205: ok 10517 # ring membership passed
205: ok 10518 # correct SSSR count
205: ok 10519 # ring membership passed
205: ok 10520 # correct SSSR count
205: ok 10521 # ring membership passed
205: ok 10522 # correct SSSR count
205: ok 10523 # ring membership passed
205: ok 10524 # correct SSSR count
205: ok 10525 # ring membership passed
205: ok 10526 # correct SSSR count
205: ok 10527 # ring membership passed
205: ok 10528 # correct SSSR count
205: ok 10529 # ring membership passed
205: ok 10530 # correct SSSR count
205: ok 10531 # ring membership passed
205: ok 10532 # correct SSSR count
205: ok 10533 # ring membership passed
205: ok 10534 # correct SSSR count
205: ok 10535 # ring membership passed
205: ok 10536 # correct SSSR count
205: ok 10537 # ring membership passed
205: ok 10538 # correct SSSR count
205: ok 10539 # ring membership passed
205: ok 10540 # correct SSSR count
205: ok 10541 # ring membership passed
205: ok 10542 # correct SSSR count
205: ok 10543 # ring membership passed
205: ok 10544 # correct SSSR count
205: ok 10545 # ring membership passed
205: ok 10546 # correct ring bond data
205: ok 10547 # correct ring bond data
205: ok 10548 # correct ring bond data
205: ok 10549 # correct ring bond data
205: ok 10550 # correct ring bond data
205: ok 10551 # correct ring bond data
205: ok 10552 # correct ring bond data
205: ok 10553 # correct ring bond data
205: ok 10554 # correct ring bond data
205: ok 10555 # correct ring bond data
205: ok 10556 # correct ring bond data
205: ok 10557 # correct ring bond data
205: ok 10558 # correct ring bond data
205: ok 10559 # correct ring bond data
205: ok 10560 # correct ring bond data
205: ok 10561 # correct ring bond data
205: ok 10562 # correct ring bond data
205: ok 10563 # correct ring bond data
205: ok 10564 # correct ring bond data
205: ok 10565 # correct ring bond data
205: ok 10566 # correct ring bond data
205: ok 10567 # correct ring bond data
205: ok 10568 # correct ring bond data
205: ok 10569 # correct ring bond data
205: ok 10570 # correct ring bond data
205: ok 10571 # SSSR size matches reference
205: ok 10572 # correct SSSR count
205: ok 10573 # ring membership passed
205: ok 10574 # correct SSSR count
205: ok 10575 # ring membership passed
205: ok 10576 # correct SSSR count
205: ok 10577 # ring membership passed
205: ok 10578 # correct SSSR count
205: ok 10579 # ring membership passed
205: ok 10580 # correct SSSR count
205: ok 10581 # ring membership passed
205: ok 10582 # correct SSSR count
205: ok 10583 # ring membership passed
205: ok 10584 # correct SSSR count
205: ok 10585 # ring membership passed
205: ok 10586 # correct SSSR count
205: ok 10587 # ring membership passed
205: ok 10588 # correct SSSR count
205: ok 10589 # ring membership passed
205: ok 10590 # correct SSSR count
205: ok 10591 # ring membership passed
205: ok 10592 # correct SSSR count
205: ok 10593 # ring membership passed
205: ok 10594 # correct SSSR count
205: ok 10595 # ring membership passed
205: ok 10596 # correct SSSR count
205: ok 10597 # ring membership passed
205: ok 10598 # correct SSSR count
205: ok 10599 # ring membership passed
205: ok 10600 # correct SSSR count
205: ok 10601 # ring membership passed
205: ok 10602 # correct SSSR count
205: ok 10603 # ring membership passed
205: ok 10604 # correct SSSR count
205: ok 10605 # ring membership passed
205: ok 10606 # correct SSSR count
205: ok 10607 # ring membership passed
205: ok 10608 # correct SSSR count
205: ok 10609 # ring membership passed
205: ok 10610 # correct SSSR count
205: ok 10611 # ring membership passed
205: ok 10612 # correct SSSR count
205: ok 10613 # ring membership passed
205: ok 10614 # correct SSSR count
205: ok 10615 # ring membership passed
205: ok 10616 # correct SSSR count
205: ok 10617 # ring membership passed
205: ok 10618 # correct ring bond data
205: ok 10619 # correct ring bond data
205: ok 10620 # correct ring bond data
205: ok 10621 # correct ring bond data
205: ok 10622 # correct ring bond data
205: ok 10623 # correct ring bond data
205: ok 10624 # correct ring bond data
205: ok 10625 # correct ring bond data
205: ok 10626 # correct ring bond data
205: ok 10627 # correct ring bond data
205: ok 10628 # correct ring bond data
205: ok 10629 # correct ring bond data
205: ok 10630 # correct ring bond data
205: ok 10631 # correct ring bond data
205: ok 10632 # correct ring bond data
205: ok 10633 # correct ring bond data
205: ok 10634 # correct ring bond data
205: ok 10635 # correct ring bond data
205: ok 10636 # correct ring bond data
205: ok 10637 # correct ring bond data
205: ok 10638 # correct ring bond data
205: ok 10639 # correct ring bond data
205: ok 10640 # correct ring bond data
205: ok 10641 # correct ring bond data
205: ok 10642 # SSSR size matches reference
205: ok 10643 # correct SSSR count
205: ok 10644 # ring membership passed
205: ok 10645 # correct SSSR count
205: ok 10646 # ring membership passed
205: ok 10647 # correct SSSR count
205: ok 10648 # ring membership passed
205: ok 10649 # correct SSSR count
205: ok 10650 # ring membership passed
205: ok 10651 # correct SSSR count
205: ok 10652 # ring membership passed
205: ok 10653 # correct SSSR count
205: ok 10654 # ring membership passed
205: ok 10655 # correct SSSR count
205: ok 10656 # ring membership passed
205: ok 10657 # correct SSSR count
205: ok 10658 # ring membership passed
205: ok 10659 # correct SSSR count
205: ok 10660 # ring membership passed
205: ok 10661 # correct SSSR count
205: ok 10662 # ring membership passed
205: ok 10663 # correct SSSR count
205: ok 10664 # ring membership passed
205: ok 10665 # correct SSSR count
205: ok 10666 # ring membership passed
205: ok 10667 # correct SSSR count
205: ok 10668 # ring membership passed
205: ok 10669 # correct SSSR count
205: ok 10670 # ring membership passed
205: ok 10671 # correct SSSR count
205: ok 10672 # ring membership passed
205: ok 10673 # correct SSSR count
205: ok 10674 # ring membership passed
205: ok 10675 # correct SSSR count
205: ok 10676 # ring membership passed
205: ok 10677 # correct SSSR count
205: ok 10678 # ring membership passed
205: ok 10679 # correct SSSR count
205: ok 10680 # ring membership passed
205: ok 10681 # correct SSSR count
205: ok 10682 # ring membership passed
205: ok 10683 # correct SSSR count
205: ok 10684 # ring membership passed
205: ok 10685 # correct SSSR count
205: ok 10686 # ring membership passed
205: ok 10687 # correct ring bond data
205: ok 10688 # correct ring bond data
205: ok 10689 # correct ring bond data
205: ok 10690 # correct ring bond data
205: ok 10691 # correct ring bond data
205: ok 10692 # correct ring bond data
205: ok 10693 # correct ring bond data
205: ok 10694 # correct ring bond data
205: ok 10695 # correct ring bond data
205: ok 10696 # correct ring bond data
205: ok 10697 # correct ring bond data
205: ok 10698 # correct ring bond data
205: ok 10699 # correct ring bond data
205: ok 10700 # correct ring bond data
205: ok 10701 # correct ring bond data
205: ok 10702 # correct ring bond data
205: ok 10703 # correct ring bond data
205: ok 10704 # correct ring bond data
205: ok 10705 # correct ring bond data
205: ok 10706 # SSSR size matches reference
205: ok 10707 # correct SSSR count
205: ok 10708 # ring membership passed
205: ok 10709 # correct SSSR count
205: ok 10710 # ring membership passed
205: ok 10711 # correct SSSR count
205: ok 10712 # ring membership passed
205: ok 10713 # correct SSSR count
205: ok 10714 # ring membership passed
205: ok 10715 # correct SSSR count
205: ok 10716 # ring membership passed
205: ok 10717 # correct SSSR count
205: ok 10718 # ring membership passed
205: ok 10719 # correct SSSR count
205: ok 10720 # ring membership passed
205: ok 10721 # correct SSSR count
205: ok 10722 # ring membership passed
205: ok 10723 # correct SSSR count
205: ok 10724 # ring membership passed
205: ok 10725 # correct SSSR count
205: ok 10726 # ring membership passed
205: ok 10727 # correct SSSR count
205: ok 10728 # ring membership passed
205: ok 10729 # correct SSSR count
205: ok 10730 # ring membership passed
205: ok 10731 # correct SSSR count
205: ok 10732 # ring membership passed
205: ok 10733 # correct SSSR count
205: ok 10734 # ring membership passed
205: ok 10735 # correct SSSR count
205: ok 10736 # ring membership passed
205: ok 10737 # correct SSSR count
205: ok 10738 # ring membership passed
205: ok 10739 # correct SSSR count
205: ok 10740 # ring membership passed
205: ok 10741 # correct SSSR count
205: ok 10742 # ring membership passed
205: ok 10743 # correct SSSR count
205: ok 10744 # ring membership passed
205: ok 10745 # correct ring bond data
205: ok 10746 # correct ring bond data
205: ok 10747 # correct ring bond data
205: ok 10748 # correct ring bond data
205: ok 10749 # correct ring bond data
205: ok 10750 # correct ring bond data
205: ok 10751 # correct ring bond data
205: ok 10752 # correct ring bond data
205: ok 10753 # correct ring bond data
205: ok 10754 # correct ring bond data
205: ok 10755 # correct ring bond data
205: ok 10756 # correct ring bond data
205: ok 10757 # correct ring bond data
205: ok 10758 # correct ring bond data
205: ok 10759 # correct ring bond data
205: ok 10760 # correct ring bond data
205: ok 10761 # SSSR size matches reference
205: ok 10762 # correct SSSR count
205: ok 10763 # ring membership passed
205: ok 10764 # correct SSSR count
205: ok 10765 # ring membership passed
205: ok 10766 # correct SSSR count
205: ok 10767 # ring membership passed
205: ok 10768 # correct SSSR count
205: ok 10769 # ring membership passed
205: ok 10770 # correct SSSR count
205: ok 10771 # ring membership passed
205: ok 10772 # correct SSSR count
205: ok 10773 # ring membership passed
205: ok 10774 # correct SSSR count
205: ok 10775 # ring membership passed
205: ok 10776 # correct SSSR count
205: ok 10777 # ring membership passed
205: ok 10778 # correct SSSR count
205: ok 10779 # ring membership passed
205: ok 10780 # correct SSSR count
205: ok 10781 # ring membership passed
205: ok 10782 # correct SSSR count
205: ok 10783 # ring membership passed
205: ok 10784 # correct SSSR count
205: ok 10785 # ring membership passed
205: ok 10786 # correct SSSR count
205: ok 10787 # ring membership passed
205: ok 10788 # correct SSSR count
205: ok 10789 # ring membership passed
205: ok 10790 # correct SSSR count
205: ok 10791 # ring membership passed
205: ok 10792 # correct ring bond data
205: ok 10793 # correct ring bond data
205: ok 10794 # correct ring bond data
205: ok 10795 # correct ring bond data
205: ok 10796 # correct ring bond data
205: ok 10797 # correct ring bond data
205: ok 10798 # correct ring bond data
205: ok 10799 # correct ring bond data
205: ok 10800 # correct ring bond data
205: ok 10801 # correct ring bond data
205: ok 10802 # correct ring bond data
205: ok 10803 # correct ring bond data
205: ok 10804 # correct ring bond data
205: ok 10805 # correct ring bond data
205: ok 10806 # correct ring bond data
205: ok 10807 # SSSR size matches reference
205: ok 10808 # correct SSSR count
205: ok 10809 # ring membership passed
205: ok 10810 # correct SSSR count
205: ok 10811 # ring membership passed
205: ok 10812 # correct SSSR count
205: ok 10813 # ring membership passed
205: ok 10814 # correct SSSR count
205: ok 10815 # ring membership passed
205: ok 10816 # correct SSSR count
205: ok 10817 # ring membership passed
205: ok 10818 # correct SSSR count
205: ok 10819 # ring membership passed
205: ok 10820 # correct SSSR count
205: ok 10821 # ring membership passed
205: ok 10822 # correct SSSR count
205: ok 10823 # ring membership passed
205: ok 10824 # correct SSSR count
205: ok 10825 # ring membership passed
205: ok 10826 # correct SSSR count
205: ok 10827 # ring membership passed
205: ok 10828 # correct SSSR count
205: ok 10829 # ring membership passed
205: ok 10830 # correct SSSR count
205: ok 10831 # ring membership passed
205: ok 10832 # correct SSSR count
205: ok 10833 # ring membership passed
205: ok 10834 # correct SSSR count
205: ok 10835 # ring membership passed
205: ok 10836 # correct ring bond data
205: ok 10837 # correct ring bond data
205: ok 10838 # correct ring bond data
205: ok 10839 # correct ring bond data
205: ok 10840 # correct ring bond data
205: ok 10841 # correct ring bond data
205: ok 10842 # correct ring bond data
205: ok 10843 # correct ring bond data
205: ok 10844 # correct ring bond data
205: ok 10845 # correct ring bond data
205: ok 10846 # correct ring bond data
205: ok 10847 # correct ring bond data
205: ok 10848 # correct ring bond data
205: ok 10849 # correct ring bond data
205: ok 10850 # correct ring bond data
205: ok 10851 # correct ring bond data
205: ok 10852 # SSSR size matches reference
205: ok 10853 # correct SSSR count
205: ok 10854 # ring membership passed
205: ok 10855 # correct SSSR count
205: ok 10856 # ring membership passed
205: ok 10857 # correct SSSR count
205: ok 10858 # ring membership passed
205: ok 10859 # correct SSSR count
205: ok 10860 # ring membership passed
205: ok 10861 # correct SSSR count
205: ok 10862 # ring membership passed
205: ok 10863 # correct SSSR count
205: ok 10864 # ring membership passed
205: ok 10865 # correct SSSR count
205: ok 10866 # ring membership passed
205: ok 10867 # correct SSSR count
205: ok 10868 # ring membership passed
205: ok 10869 # correct SSSR count
205: ok 10870 # ring membership passed
205: ok 10871 # correct SSSR count
205: ok 10872 # ring membership passed
205: ok 10873 # correct SSSR count
205: ok 10874 # ring membership passed
205: ok 10875 # correct SSSR count
205: ok 10876 # ring membership passed
205: ok 10877 # correct SSSR count
205: ok 10878 # ring membership passed
205: ok 10879 # correct SSSR count
205: ok 10880 # ring membership passed
205: ok 10881 # correct SSSR count
205: ok 10882 # ring membership passed
205: ok 10883 # correct ring bond data
205: ok 10884 # correct ring bond data
205: ok 10885 # correct ring bond data
205: ok 10886 # correct ring bond data
205: ok 10887 # correct ring bond data
205: ok 10888 # correct ring bond data
205: ok 10889 # correct ring bond data
205: ok 10890 # correct ring bond data
205: ok 10891 # correct ring bond data
205: ok 10892 # correct ring bond data
205: ok 10893 # correct ring bond data
205: ok 10894 # correct ring bond data
205: ok 10895 # correct ring bond data
205: ok 10896 # correct ring bond data
205: ok 10897 # correct ring bond data
205: ok 10898 # correct ring bond data
205: ok 10899 # correct ring bond data
205: ok 10900 # correct ring bond data
205: ok 10901 # SSSR size matches reference
205: ok 10902 # correct SSSR count
205: ok 10903 # ring membership passed
205: ok 10904 # correct SSSR count
205: ok 10905 # ring membership passed
205: ok 10906 # correct SSSR count
205: ok 10907 # ring membership passed
205: ok 10908 # correct SSSR count
205: ok 10909 # ring membership passed
205: ok 10910 # correct SSSR count
205: ok 10911 # ring membership passed
205: ok 10912 # correct SSSR count
205: ok 10913 # ring membership passed
205: ok 10914 # correct SSSR count
205: ok 10915 # ring membership passed
205: ok 10916 # correct SSSR count
205: ok 10917 # ring membership passed
205: ok 10918 # correct SSSR count
205: ok 10919 # ring membership passed
205: ok 10920 # correct SSSR count
205: ok 10921 # ring membership passed
205: ok 10922 # correct SSSR count
205: ok 10923 # ring membership passed
205: ok 10924 # correct SSSR count
205: ok 10925 # ring membership passed
205: ok 10926 # correct SSSR count
205: ok 10927 # ring membership passed
205: ok 10928 # correct SSSR count
205: ok 10929 # ring membership passed
205: ok 10930 # correct SSSR count
205: ok 10931 # ring membership passed
205: ok 10932 # correct SSSR count
205: ok 10933 # ring membership passed
205: ok 10934 # correct SSSR count
205: ok 10935 # ring membership passed
205: ok 10936 # correct ring bond data
205: ok 10937 # correct ring bond data
205: ok 10938 # correct ring bond data
205: ok 10939 # correct ring bond data
205: ok 10940 # correct ring bond data
205: ok 10941 # correct ring bond data
205: ok 10942 # correct ring bond data
205: ok 10943 # correct ring bond data
205: ok 10944 # correct ring bond data
205: ok 10945 # correct ring bond data
205: ok 10946 # correct ring bond data
205: ok 10947 # correct ring bond data
205: ok 10948 # correct ring bond data
205: ok 10949 # correct ring bond data
205: ok 10950 # correct ring bond data
205: ok 10951 # correct ring bond data
205: ok 10952 # correct ring bond data
205: ok 10953 # correct ring bond data
205: ok 10954 # correct ring bond data
205: ok 10955 # correct ring bond data
205: ok 10956 # correct ring bond data
205: ok 10957 # correct ring bond data
205: ok 10958 # correct ring bond data
205: ok 10959 # correct ring bond data
205: ok 10960 # correct ring bond data
205: ok 10961 # correct ring bond data
205: ok 10962 # correct ring bond data
205: ok 10963 # correct ring bond data
205: ok 10964 # correct ring bond data
205: ok 10965 # correct ring bond data
205: ok 10966 # correct ring bond data
205: ok 10967 # correct ring bond data
205: ok 10968 # correct ring bond data
205: ok 10969 # correct ring bond data
205: ok 10970 # correct ring bond data
205: ok 10971 # correct ring bond data
205: ok 10972 # correct ring bond data
205: ok 10973 # correct ring bond data
205: ok 10974 # SSSR size matches reference
205: ok 10975 # correct SSSR count
205: ok 10976 # ring membership passed
205: ok 10977 # correct SSSR count
205: ok 10978 # ring membership passed
205: ok 10979 # correct SSSR count
205: ok 10980 # ring membership passed
205: ok 10981 # correct SSSR count
205: ok 10982 # ring membership passed
205: ok 10983 # correct SSSR count
205: ok 10984 # ring membership passed
205: ok 10985 # correct SSSR count
205: ok 10986 # ring membership passed
205: ok 10987 # correct SSSR count
205: ok 10988 # ring membership passed
205: ok 10989 # correct SSSR count
205: ok 10990 # ring membership passed
205: ok 10991 # correct SSSR count
205: ok 10992 # ring membership passed
205: ok 10993 # correct SSSR count
205: ok 10994 # ring membership passed
205: ok 10995 # correct SSSR count
205: ok 10996 # ring membership passed
205: ok 10997 # correct SSSR count
205: ok 10998 # ring membership passed
205: ok 10999 # correct SSSR count
205: ok 11000 # ring membership passed
205: ok 11001 # correct SSSR count
205: ok 11002 # ring membership passed
205: ok 11003 # correct SSSR count
205: ok 11004 # ring membership passed
205: ok 11005 # correct SSSR count
205: ok 11006 # ring membership passed
205: ok 11007 # correct SSSR count
205: ok 11008 # ring membership passed
205: ok 11009 # correct SSSR count
205: ok 11010 # ring membership passed
205: ok 11011 # correct SSSR count
205: ok 11012 # ring membership passed
205: ok 11013 # correct SSSR count
205: ok 11014 # ring membership passed
205: ok 11015 # correct SSSR count
205: ok 11016 # ring membership passed
205: ok 11017 # correct SSSR count
205: ok 11018 # ring membership passed
205: ok 11019 # correct SSSR count
205: ok 11020 # ring membership passed
205: ok 11021 # correct SSSR count
205: ok 11022 # ring membership passed
205: ok 11023 # correct SSSR count
205: ok 11024 # ring membership passed
205: ok 11025 # correct SSSR count
205: ok 11026 # ring membership passed
205: ok 11027 # correct SSSR count
205: ok 11028 # ring membership passed
205: ok 11029 # correct SSSR count
205: ok 11030 # ring membership passed
205: ok 11031 # correct SSSR count
205: ok 11032 # ring membership passed
205: ok 11033 # correct SSSR count
205: ok 11034 # ring membership passed
205: ok 11035 # correct SSSR count
205: ok 11036 # ring membership passed
205: ok 11037 # correct SSSR count
205: ok 11038 # ring membership passed
205: ok 11039 # correct SSSR count
205: ok 11040 # ring membership passed
205: ok 11041 # correct SSSR count
205: ok 11042 # ring membership passed
205: ok 11043 # correct SSSR count
205: ok 11044 # ring membership passed
205: ok 11045 # correct SSSR count
205: ok 11046 # ring membership passed
205: ok 11047 # correct ring bond data
205: ok 11048 # correct ring bond data
205: ok 11049 # correct ring bond data
205: ok 11050 # correct ring bond data
205: ok 11051 # correct ring bond data
205: ok 11052 # correct ring bond data
205: ok 11053 # correct ring bond data
205: ok 11054 # correct ring bond data
205: ok 11055 # correct ring bond data
205: ok 11056 # correct ring bond data
205: ok 11057 # correct ring bond data
205: ok 11058 # correct ring bond data
205: ok 11059 # correct ring bond data
205: ok 11060 # correct ring bond data
205: ok 11061 # correct ring bond data
205: ok 11062 # SSSR size matches reference
205: ok 11063 # correct SSSR count
205: ok 11064 # ring membership passed
205: ok 11065 # correct SSSR count
205: ok 11066 # ring membership passed
205: ok 11067 # correct SSSR count
205: ok 11068 # ring membership passed
205: ok 11069 # correct SSSR count
205: ok 11070 # ring membership passed
205: ok 11071 # correct SSSR count
205: ok 11072 # ring membership passed
205: ok 11073 # correct SSSR count
205: ok 11074 # ring membership passed
205: ok 11075 # correct SSSR count
205: ok 11076 # ring membership passed
205: ok 11077 # correct SSSR count
205: ok 11078 # ring membership passed
205: ok 11079 # correct SSSR count
205: ok 11080 # ring membership passed
205: ok 11081 # correct SSSR count
205: ok 11082 # ring membership passed
205: ok 11083 # correct SSSR count
205: ok 11084 # ring membership passed
205: ok 11085 # correct SSSR count
205: ok 11086 # ring membership passed
205: ok 11087 # correct SSSR count
205: ok 11088 # ring membership passed
205: ok 11089 # correct SSSR count
205: ok 11090 # ring membership passed
205: ok 11091 # correct ring bond data
205: ok 11092 # correct ring bond data
205: ok 11093 # correct ring bond data
205: ok 11094 # correct ring bond data
205: ok 11095 # correct ring bond data
205: ok 11096 # correct ring bond data
205: ok 11097 # correct ring bond data
205: ok 11098 # correct ring bond data
205: ok 11099 # correct ring bond data
205: ok 11100 # correct ring bond data
205: ok 11101 # correct ring bond data
205: ok 11102 # correct ring bond data
205: ok 11103 # correct ring bond data
205: ok 11104 # correct ring bond data
205: ok 11105 # correct ring bond data
205: ok 11106 # correct ring bond data
205: ok 11107 # correct ring bond data
205: ok 11108 # correct ring bond data
205: ok 11109 # correct ring bond data
205: ok 11110 # correct ring bond data
205: ok 11111 # correct ring bond data
205: ok 11112 # correct ring bond data
205: ok 11113 # correct ring bond data
205: ok 11114 # correct ring bond data
205: ok 11115 # correct ring bond data
205: ok 11116 # SSSR size matches reference
205: ok 11117 # correct SSSR count
205: ok 11118 # ring membership passed
205: ok 11119 # correct SSSR count
205: ok 11120 # ring membership passed
205: ok 11121 # correct SSSR count
205: ok 11122 # ring membership passed
205: ok 11123 # correct SSSR count
205: ok 11124 # ring membership passed
205: ok 11125 # correct SSSR count
205: ok 11126 # ring membership passed
205: ok 11127 # correct SSSR count
205: ok 11128 # ring membership passed
205: ok 11129 # correct SSSR count
205: ok 11130 # ring membership passed
205: ok 11131 # correct SSSR count
205: ok 11132 # ring membership passed
205: ok 11133 # correct SSSR count
205: ok 11134 # ring membership passed
205: ok 11135 # correct SSSR count
205: ok 11136 # ring membership passed
205: ok 11137 # correct SSSR count
205: ok 11138 # ring membership passed
205: ok 11139 # correct SSSR count
205: ok 11140 # ring membership passed
205: ok 11141 # correct SSSR count
205: ok 11142 # ring membership passed
205: ok 11143 # correct SSSR count
205: ok 11144 # ring membership passed
205: ok 11145 # correct SSSR count
205: ok 11146 # ring membership passed
205: ok 11147 # correct SSSR count
205: ok 11148 # ring membership passed
205: ok 11149 # correct SSSR count
205: ok 11150 # ring membership passed
205: ok 11151 # correct SSSR count
205: ok 11152 # ring membership passed
205: ok 11153 # correct SSSR count
205: ok 11154 # ring membership passed
205: ok 11155 # correct SSSR count
205: ok 11156 # ring membership passed
205: ok 11157 # correct SSSR count
205: ok 11158 # ring membership passed
205: ok 11159 # correct SSSR count
205: ok 11160 # ring membership passed
205: ok 11161 # correct SSSR count
205: ok 11162 # ring membership passed
205: ok 11163 # correct ring bond data
205: ok 11164 # correct ring bond data
205: ok 11165 # correct ring bond data
205: ok 11166 # correct ring bond data
205: ok 11167 # correct ring bond data
205: ok 11168 # correct ring bond data
205: ok 11169 # correct ring bond data
205: ok 11170 # correct ring bond data
205: ok 11171 # correct ring bond data
205: ok 11172 # correct ring bond data
205: ok 11173 # correct ring bond data
205: ok 11174 # correct ring bond data
205: ok 11175 # correct ring bond data
205: ok 11176 # correct ring bond data
205: ok 11177 # correct ring bond data
205: ok 11178 # correct ring bond data
205: ok 11179 # correct ring bond data
205: ok 11180 # correct ring bond data
205: ok 11181 # correct ring bond data
205: ok 11182 # correct ring bond data
205: ok 11183 # SSSR size matches reference
205: ok 11184 # correct SSSR count
205: ok 11185 # ring membership passed
205: ok 11186 # correct SSSR count
205: ok 11187 # ring membership passed
205: ok 11188 # correct SSSR count
205: ok 11189 # ring membership passed
205: ok 11190 # correct SSSR count
205: ok 11191 # ring membership passed
205: ok 11192 # correct SSSR count
205: ok 11193 # ring membership passed
205: ok 11194 # correct SSSR count
205: ok 11195 # ring membership passed
205: ok 11196 # correct SSSR count
205: ok 11197 # ring membership passed
205: ok 11198 # correct SSSR count
205: ok 11199 # ring membership passed
205: ok 11200 # correct SSSR count
205: ok 11201 # ring membership passed
205: ok 11202 # correct SSSR count
205: ok 11203 # ring membership passed
205: ok 11204 # correct SSSR count
205: ok 11205 # ring membership passed
205: ok 11206 # correct SSSR count
205: ok 11207 # ring membership passed
205: ok 11208 # correct SSSR count
205: ok 11209 # ring membership passed
205: ok 11210 # correct SSSR count
205: ok 11211 # ring membership passed
205: ok 11212 # correct SSSR count
205: ok 11213 # ring membership passed
205: ok 11214 # correct SSSR count
205: ok 11215 # ring membership passed
205: ok 11216 # correct SSSR count
205: ok 11217 # ring membership passed
205: ok 11218 # correct SSSR count
205: ok 11219 # ring membership passed
205: ok 11220 # correct ring bond data
205: ok 11221 # correct ring bond data
205: ok 11222 # correct ring bond data
205: ok 11223 # correct ring bond data
205: ok 11224 # correct ring bond data
205: ok 11225 # correct ring bond data
205: ok 11226 # correct ring bond data
205: ok 11227 # correct ring bond data
205: ok 11228 # correct ring bond data
205: ok 11229 # correct ring bond data
205: ok 11230 # correct ring bond data
205: ok 11231 # correct ring bond data
205: ok 11232 # correct ring bond data
205: ok 11233 # correct ring bond data
205: ok 11234 # correct ring bond data
205: ok 11235 # correct ring bond data
205: ok 11236 # correct ring bond data
205: ok 11237 # correct ring bond data
205: ok 11238 # correct ring bond data
205: ok 11239 # correct ring bond data
205: ok 11240 # SSSR size matches reference
205: ok 11241 # correct SSSR count
205: ok 11242 # ring membership passed
205: ok 11243 # correct SSSR count
205: ok 11244 # ring membership passed
205: ok 11245 # correct SSSR count
205: ok 11246 # ring membership passed
205: ok 11247 # correct SSSR count
205: ok 11248 # ring membership passed
205: ok 11249 # correct SSSR count
205: ok 11250 # ring membership passed
205: ok 11251 # correct SSSR count
205: ok 11252 # ring membership passed
205: ok 11253 # correct SSSR count
205: ok 11254 # ring membership passed
205: ok 11255 # correct SSSR count
205: ok 11256 # ring membership passed
205: ok 11257 # correct SSSR count
205: ok 11258 # ring membership passed
205: ok 11259 # correct SSSR count
205: ok 11260 # ring membership passed
205: ok 11261 # correct SSSR count
205: ok 11262 # ring membership passed
205: ok 11263 # correct SSSR count
205: ok 11264 # ring membership passed
205: ok 11265 # correct SSSR count
205: ok 11266 # ring membership passed
205: ok 11267 # correct SSSR count
205: ok 11268 # ring membership passed
205: ok 11269 # correct SSSR count
205: ok 11270 # ring membership passed
205: ok 11271 # correct SSSR count
205: ok 11272 # ring membership passed
205: ok 11273 # correct SSSR count
205: ok 11274 # ring membership passed
205: ok 11275 # correct SSSR count
205: ok 11276 # ring membership passed
205: ok 11277 # correct ring bond data
205: ok 11278 # correct ring bond data
205: ok 11279 # correct ring bond data
205: ok 11280 # correct ring bond data
205: ok 11281 # correct ring bond data
205: ok 11282 # correct ring bond data
205: ok 11283 # correct ring bond data
205: ok 11284 # correct ring bond data
205: ok 11285 # correct ring bond data
205: ok 11286 # correct ring bond data
205: ok 11287 # correct ring bond data
205: ok 11288 # correct ring bond data
205: ok 11289 # correct ring bond data
205: ok 11290 # correct ring bond data
205: ok 11291 # correct ring bond data
205: ok 11292 # correct ring bond data
205: ok 11293 # correct ring bond data
205: ok 11294 # SSSR size matches reference
205: ok 11295 # correct SSSR count
205: ok 11296 # ring membership passed
205: ok 11297 # correct SSSR count
205: ok 11298 # ring membership passed
205: ok 11299 # correct SSSR count
205: ok 11300 # ring membership passed
205: ok 11301 # correct SSSR count
205: ok 11302 # ring membership passed
205: ok 11303 # correct SSSR count
205: ok 11304 # ring membership passed
205: ok 11305 # correct SSSR count
205: ok 11306 # ring membership passed
205: ok 11307 # correct SSSR count
205: ok 11308 # ring membership passed
205: ok 11309 # correct SSSR count
205: ok 11310 # ring membership passed
205: ok 11311 # correct SSSR count
205: ok 11312 # ring membership passed
205: ok 11313 # correct SSSR count
205: ok 11314 # ring membership passed
205: ok 11315 # correct SSSR count
205: ok 11316 # ring membership passed
205: ok 11317 # correct SSSR count
205: ok 11318 # ring membership passed
205: ok 11319 # correct SSSR count
205: ok 11320 # ring membership passed
205: ok 11321 # correct SSSR count
205: ok 11322 # ring membership passed
205: ok 11323 # correct SSSR count
205: ok 11324 # ring membership passed
205: ok 11325 # correct SSSR count
205: ok 11326 # ring membership passed
205: ok 11327 # correct SSSR count
205: ok 11328 # ring membership passed
205: ok 11329 # correct ring bond data
205: ok 11330 # correct ring bond data
205: ok 11331 # correct ring bond data
205: ok 11332 # correct ring bond data
205: ok 11333 # correct ring bond data
205: ok 11334 # correct ring bond data
205: ok 11335 # correct ring bond data
205: ok 11336 # correct ring bond data
205: ok 11337 # correct ring bond data
205: ok 11338 # correct ring bond data
205: ok 11339 # correct ring bond data
205: ok 11340 # correct ring bond data
205: ok 11341 # correct ring bond data
205: ok 11342 # correct ring bond data
205: ok 11343 # correct ring bond data
205: ok 11344 # correct ring bond data
205: ok 11345 # correct ring bond data
205: ok 11346 # correct ring bond data
205: ok 11347 # correct ring bond data
205: ok 11348 # correct ring bond data
205: ok 11349 # correct ring bond data
205: ok 11350 # correct ring bond data
205: ok 11351 # correct ring bond data
205: ok 11352 # correct ring bond data
205: ok 11353 # correct ring bond data
205: ok 11354 # correct ring bond data
205: ok 11355 # correct ring bond data
205: ok 11356 # correct ring bond data
205: ok 11357 # correct ring bond data
205: ok 11358 # correct ring bond data
205: ok 11359 # correct ring bond data
205: ok 11360 # SSSR size matches reference
205: ok 11361 # correct SSSR count
205: ok 11362 # ring membership passed
205: ok 11363 # correct SSSR count
205: ok 11364 # ring membership passed
205: ok 11365 # correct SSSR count
205: ok 11366 # ring membership passed
205: ok 11367 # correct SSSR count
205: ok 11368 # ring membership passed
205: ok 11369 # correct SSSR count
205: ok 11370 # ring membership passed
205: ok 11371 # correct SSSR count
205: ok 11372 # ring membership passed
205: ok 11373 # correct SSSR count
205: ok 11374 # ring membership passed
205: ok 11375 # correct SSSR count
205: ok 11376 # ring membership passed
205: ok 11377 # correct SSSR count
205: ok 11378 # ring membership passed
205: ok 11379 # correct SSSR count
205: ok 11380 # ring membership passed
205: ok 11381 # correct SSSR count
205: ok 11382 # ring membership passed
205: ok 11383 # correct SSSR count
205: ok 11384 # ring membership passed
205: ok 11385 # correct SSSR count
205: ok 11386 # ring membership passed
205: ok 11387 # correct SSSR count
205: ok 11388 # ring membership passed
205: ok 11389 # correct SSSR count
205: ok 11390 # ring membership passed
205: ok 11391 # correct SSSR count
205: ok 11392 # ring membership passed
205: ok 11393 # correct SSSR count
205: ok 11394 # ring membership passed
205: ok 11395 # correct SSSR count
205: ok 11396 # ring membership passed
205: ok 11397 # correct SSSR count
205: ok 11398 # ring membership passed
205: ok 11399 # correct SSSR count
205: ok 11400 # ring membership passed
205: ok 11401 # correct SSSR count
205: ok 11402 # ring membership passed
205: ok 11403 # correct SSSR count
205: ok 11404 # ring membership passed
205: ok 11405 # correct SSSR count
205: ok 11406 # ring membership passed
205: ok 11407 # correct SSSR count
205: ok 11408 # ring membership passed
205: ok 11409 # correct SSSR count
205: ok 11410 # ring membership passed
205: ok 11411 # correct SSSR count
205: ok 11412 # ring membership passed
205: ok 11413 # correct SSSR count
205: ok 11414 # ring membership passed
205: ok 11415 # correct SSSR count
205: ok 11416 # ring membership passed
205: ok 11417 # correct SSSR count
205: ok 11418 # ring membership passed
205: ok 11419 # correct ring bond data
205: ok 11420 # correct ring bond data
205: ok 11421 # correct ring bond data
205: ok 11422 # correct ring bond data
205: ok 11423 # correct ring bond data
205: ok 11424 # correct ring bond data
205: ok 11425 # correct ring bond data
205: ok 11426 # correct ring bond data
205: ok 11427 # correct ring bond data
205: ok 11428 # correct ring bond data
205: ok 11429 # correct ring bond data
205: ok 11430 # correct ring bond data
205: ok 11431 # correct ring bond data
205: ok 11432 # correct ring bond data
205: ok 11433 # correct ring bond data
205: ok 11434 # correct ring bond data
205: ok 11435 # correct ring bond data
205: ok 11436 # correct ring bond data
205: ok 11437 # correct ring bond data
205: ok 11438 # SSSR size matches reference
205: ok 11439 # correct SSSR count
205: ok 11440 # ring membership passed
205: ok 11441 # correct SSSR count
205: ok 11442 # ring membership passed
205: ok 11443 # correct SSSR count
205: ok 11444 # ring membership passed
205: ok 11445 # correct SSSR count
205: ok 11446 # ring membership passed
205: ok 11447 # correct SSSR count
205: ok 11448 # ring membership passed
205: ok 11449 # correct SSSR count
205: ok 11450 # ring membership passed
205: ok 11451 # correct SSSR count
205: ok 11452 # ring membership passed
205: ok 11453 # correct SSSR count
205: ok 11454 # ring membership passed
205: ok 11455 # correct SSSR count
205: ok 11456 # ring membership passed
205: ok 11457 # correct SSSR count
205: ok 11458 # ring membership passed
205: ok 11459 # correct SSSR count
205: ok 11460 # ring membership passed
205: ok 11461 # correct SSSR count
205: ok 11462 # ring membership passed
205: ok 11463 # correct SSSR count
205: ok 11464 # ring membership passed
205: ok 11465 # correct SSSR count
205: ok 11466 # ring membership passed
205: ok 11467 # correct SSSR count
205: ok 11468 # ring membership passed
205: ok 11469 # correct SSSR count
205: ok 11470 # ring membership passed
205: ok 11471 # correct SSSR count
205: ok 11472 # ring membership passed
205: ok 11473 # correct SSSR count
205: ok 11474 # ring membership passed
205: ok 11475 # correct ring bond data
205: ok 11476 # correct ring bond data
205: ok 11477 # correct ring bond data
205: ok 11478 # correct ring bond data
205: ok 11479 # correct ring bond data
205: ok 11480 # correct ring bond data
205: ok 11481 # correct ring bond data
205: ok 11482 # correct ring bond data
205: ok 11483 # correct ring bond data
205: ok 11484 # correct ring bond data
205: ok 11485 # correct ring bond data
205: ok 11486 # correct ring bond data
205: ok 11487 # correct ring bond data
205: ok 11488 # correct ring bond data
205: ok 11489 # correct ring bond data
205: ok 11490 # correct ring bond data
205: ok 11491 # correct ring bond data
205: ok 11492 # correct ring bond data
205: ok 11493 # correct ring bond data
205: ok 11494 # correct ring bond data
205: ok 11495 # SSSR size matches reference
205: ok 11496 # correct SSSR count
205: ok 11497 # ring membership passed
205: ok 11498 # correct SSSR count
205: ok 11499 # ring membership passed
205: ok 11500 # correct SSSR count
205: ok 11501 # ring membership passed
205: ok 11502 # correct SSSR count
205: ok 11503 # ring membership passed
205: ok 11504 # correct SSSR count
205: ok 11505 # ring membership passed
205: ok 11506 # correct SSSR count
205: ok 11507 # ring membership passed
205: ok 11508 # correct SSSR count
205: ok 11509 # ring membership passed
205: ok 11510 # correct SSSR count
205: ok 11511 # ring membership passed
205: ok 11512 # correct SSSR count
205: ok 11513 # ring membership passed
205: ok 11514 # correct SSSR count
205: ok 11515 # ring membership passed
205: ok 11516 # correct SSSR count
205: ok 11517 # ring membership passed
205: ok 11518 # correct SSSR count
205: ok 11519 # ring membership passed
205: ok 11520 # correct SSSR count
205: ok 11521 # ring membership passed
205: ok 11522 # correct SSSR count
205: ok 11523 # ring membership passed
205: ok 11524 # correct SSSR count
205: ok 11525 # ring membership passed
205: ok 11526 # correct SSSR count
205: ok 11527 # ring membership passed
205: ok 11528 # correct SSSR count
205: ok 11529 # ring membership passed
205: ok 11530 # correct SSSR count
205: ok 11531 # ring membership passed
205: ok 11532 # correct SSSR count
205: ok 11533 # ring membership passed
205: ok 11534 # correct ring bond data
205: ok 11535 # correct ring bond data
205: ok 11536 # correct ring bond data
205: ok 11537 # correct ring bond data
205: ok 11538 # correct ring bond data
205: ok 11539 # correct ring bond data
205: ok 11540 # correct ring bond data
205: ok 11541 # correct ring bond data
205: ok 11542 # correct ring bond data
205: ok 11543 # correct ring bond data
205: ok 11544 # correct ring bond data
205: ok 11545 # correct ring bond data
205: ok 11546 # correct ring bond data
205: ok 11547 # correct ring bond data
205: ok 11548 # correct ring bond data
205: ok 11549 # correct ring bond data
205: ok 11550 # correct ring bond data
205: ok 11551 # correct ring bond data
205: ok 11552 # correct ring bond data
205: ok 11553 # correct ring bond data
205: ok 11554 # correct ring bond data
205: ok 11555 # SSSR size matches reference
205: ok 11556 # correct SSSR count
205: ok 11557 # ring membership passed
205: ok 11558 # correct SSSR count
205: ok 11559 # ring membership passed
205: ok 11560 # correct SSSR count
205: ok 11561 # ring membership passed
205: ok 11562 # correct SSSR count
205: ok 11563 # ring membership passed
205: ok 11564 # correct SSSR count
205: ok 11565 # ring membership passed
205: ok 11566 # correct SSSR count
205: ok 11567 # ring membership passed
205: ok 11568 # correct SSSR count
205: ok 11569 # ring membership passed
205: ok 11570 # correct SSSR count
205: ok 11571 # ring membership passed
205: ok 11572 # correct SSSR count
205: ok 11573 # ring membership passed
205: ok 11574 # correct SSSR count
205: ok 11575 # ring membership passed
205: ok 11576 # correct SSSR count
205: ok 11577 # ring membership passed
205: ok 11578 # correct SSSR count
205: ok 11579 # ring membership passed
205: ok 11580 # correct SSSR count
205: ok 11581 # ring membership passed
205: ok 11582 # correct SSSR count
205: ok 11583 # ring membership passed
205: ok 11584 # correct SSSR count
205: ok 11585 # ring membership passed
205: ok 11586 # correct SSSR count
205: ok 11587 # ring membership passed
205: ok 11588 # correct SSSR count
205: ok 11589 # ring membership passed
205: ok 11590 # correct SSSR count
205: ok 11591 # ring membership passed
205: ok 11592 # correct SSSR count
205: ok 11593 # ring membership passed
205: ok 11594 # correct SSSR count
205: ok 11595 # ring membership passed
205: ok 11596 # correct ring bond data
205: ok 11597 # correct ring bond data
205: ok 11598 # correct ring bond data
205: ok 11599 # correct ring bond data
205: ok 11600 # correct ring bond data
205: ok 11601 # correct ring bond data
205: ok 11602 # correct ring bond data
205: ok 11603 # correct ring bond data
205: ok 11604 # correct ring bond data
205: ok 11605 # correct ring bond data
205: ok 11606 # correct ring bond data
205: ok 11607 # correct ring bond data
205: ok 11608 # SSSR size matches reference
205: ok 11609 # correct SSSR count
205: ok 11610 # ring membership passed
205: ok 11611 # correct SSSR count
205: ok 11612 # ring membership passed
205: ok 11613 # correct SSSR count
205: ok 11614 # ring membership passed
205: ok 11615 # correct SSSR count
205: ok 11616 # ring membership passed
205: ok 11617 # correct SSSR count
205: ok 11618 # ring membership passed
205: ok 11619 # correct SSSR count
205: ok 11620 # ring membership passed
205: ok 11621 # correct SSSR count
205: ok 11622 # ring membership passed
205: ok 11623 # correct SSSR count
205: ok 11624 # ring membership passed
205: ok 11625 # correct SSSR count
205: ok 11626 # ring membership passed
205: ok 11627 # correct SSSR count
205: ok 11628 # ring membership passed
205: ok 11629 # correct SSSR count
205: ok 11630 # ring membership passed
205: ok 11631 # correct ring bond data
205: ok 11632 # correct ring bond data
205: ok 11633 # correct ring bond data
205: ok 11634 # correct ring bond data
205: ok 11635 # correct ring bond data
205: ok 11636 # correct ring bond data
205: ok 11637 # correct ring bond data
205: ok 11638 # correct ring bond data
205: ok 11639 # correct ring bond data
205: ok 11640 # correct ring bond data
205: ok 11641 # correct ring bond data
205: ok 11642 # correct ring bond data
205: ok 11643 # correct ring bond data
205: ok 11644 # correct ring bond data
205: ok 11645 # correct ring bond data
205: ok 11646 # correct ring bond data
205: ok 11647 # correct ring bond data
205: ok 11648 # correct ring bond data
205: ok 11649 # correct ring bond data
205: ok 11650 # correct ring bond data
205: ok 11651 # SSSR size matches reference
205: ok 11652 # correct SSSR count
205: ok 11653 # ring membership passed
205: ok 11654 # correct SSSR count
205: ok 11655 # ring membership passed
205: ok 11656 # correct SSSR count
205: ok 11657 # ring membership passed
205: ok 11658 # correct SSSR count
205: ok 11659 # ring membership passed
205: ok 11660 # correct SSSR count
205: ok 11661 # ring membership passed
205: ok 11662 # correct SSSR count
205: ok 11663 # ring membership passed
205: ok 11664 # correct SSSR count
205: ok 11665 # ring membership passed
205: ok 11666 # correct SSSR count
205: ok 11667 # ring membership passed
205: ok 11668 # correct SSSR count
205: ok 11669 # ring membership passed
205: ok 11670 # correct SSSR count
205: ok 11671 # ring membership passed
205: ok 11672 # correct SSSR count
205: ok 11673 # ring membership passed
205: ok 11674 # correct SSSR count
205: ok 11675 # ring membership passed
205: ok 11676 # correct SSSR count
205: ok 11677 # ring membership passed
205: ok 11678 # correct SSSR count
205: ok 11679 # ring membership passed
205: ok 11680 # correct SSSR count
205: ok 11681 # ring membership passed
205: ok 11682 # correct SSSR count
205: ok 11683 # ring membership passed
205: ok 11684 # correct SSSR count
205: ok 11685 # ring membership passed
205: ok 11686 # correct SSSR count
205: ok 11687 # ring membership passed
205: ok 11688 # correct SSSR count
205: ok 11689 # ring membership passed
205: ok 11690 # correct ring bond data
205: ok 11691 # correct ring bond data
205: ok 11692 # correct ring bond data
205: ok 11693 # correct ring bond data
205: ok 11694 # correct ring bond data
205: ok 11695 # correct ring bond data
205: ok 11696 # correct ring bond data
205: ok 11697 # correct ring bond data
205: ok 11698 # correct ring bond data
205: ok 11699 # correct ring bond data
205: ok 11700 # correct ring bond data
205: ok 11701 # correct ring bond data
205: ok 11702 # correct ring bond data
205: ok 11703 # SSSR size matches reference
205: ok 11704 # correct SSSR count
205: ok 11705 # ring membership passed
205: ok 11706 # correct SSSR count
205: ok 11707 # ring membership passed
205: ok 11708 # correct SSSR count
205: ok 11709 # ring membership passed
205: ok 11710 # correct SSSR count
205: ok 11711 # ring membership passed
205: ok 11712 # correct SSSR count
205: ok 11713 # ring membership passed
205: ok 11714 # correct SSSR count
205: ok 11715 # ring membership passed
205: ok 11716 # correct SSSR count
205: ok 11717 # ring membership passed
205: ok 11718 # correct SSSR count
205: ok 11719 # ring membership passed
205: ok 11720 # correct SSSR count
205: ok 11721 # ring membership passed
205: ok 11722 # correct SSSR count
205: ok 11723 # ring membership passed
205: ok 11724 # correct SSSR count
205: ok 11725 # ring membership passed
205: ok 11726 # correct SSSR count
205: ok 11727 # ring membership passed
205: ok 11728 # correct ring bond data
205: ok 11729 # correct ring bond data
205: ok 11730 # correct ring bond data
205: ok 11731 # correct ring bond data
205: ok 11732 # correct ring bond data
205: ok 11733 # correct ring bond data
205: ok 11734 # correct ring bond data
205: ok 11735 # correct ring bond data
205: ok 11736 # correct ring bond data
205: ok 11737 # correct ring bond data
205: ok 11738 # correct ring bond data
205: ok 11739 # correct ring bond data
205: ok 11740 # correct ring bond data
205: ok 11741 # correct ring bond data
205: ok 11742 # correct ring bond data
205: ok 11743 # correct ring bond data
205: ok 11744 # correct ring bond data
205: ok 11745 # correct ring bond data
205: ok 11746 # correct ring bond data
205: ok 11747 # correct ring bond data
205: ok 11748 # correct ring bond data
205: ok 11749 # correct ring bond data
205: ok 11750 # correct ring bond data
205: ok 11751 # correct ring bond data
205: ok 11752 # correct ring bond data
205: ok 11753 # correct ring bond data
205: ok 11754 # correct ring bond data
205: ok 11755 # correct ring bond data
205: ok 11756 # correct ring bond data
205: ok 11757 # SSSR size matches reference
205: ok 11758 # correct SSSR count
205: ok 11759 # ring membership passed
205: ok 11760 # correct SSSR count
205: ok 11761 # ring membership passed
205: ok 11762 # correct SSSR count
205: ok 11763 # ring membership passed
205: ok 11764 # correct SSSR count
205: ok 11765 # ring membership passed
205: ok 11766 # correct SSSR count
205: ok 11767 # ring membership passed
205: ok 11768 # correct SSSR count
205: ok 11769 # ring membership passed
205: ok 11770 # correct SSSR count
205: ok 11771 # ring membership passed
205: ok 11772 # correct SSSR count
205: ok 11773 # ring membership passed
205: ok 11774 # correct SSSR count
205: ok 11775 # ring membership passed
205: ok 11776 # correct SSSR count
205: ok 11777 # ring membership passed
205: ok 11778 # correct SSSR count
205: ok 11779 # ring membership passed
205: ok 11780 # correct SSSR count
205: ok 11781 # ring membership passed
205: ok 11782 # correct SSSR count
205: ok 11783 # ring membership passed
205: ok 11784 # correct SSSR count
205: ok 11785 # ring membership passed
205: ok 11786 # correct SSSR count
205: ok 11787 # ring membership passed
205: ok 11788 # correct SSSR count
205: ok 11789 # ring membership passed
205: ok 11790 # correct SSSR count
205: ok 11791 # ring membership passed
205: ok 11792 # correct SSSR count
205: ok 11793 # ring membership passed
205: ok 11794 # correct SSSR count
205: ok 11795 # ring membership passed
205: ok 11796 # correct SSSR count
205: ok 11797 # ring membership passed
205: ok 11798 # correct SSSR count
205: ok 11799 # ring membership passed
205: ok 11800 # correct SSSR count
205: ok 11801 # ring membership passed
205: ok 11802 # correct SSSR count
205: ok 11803 # ring membership passed
205: ok 11804 # correct SSSR count
205: ok 11805 # ring membership passed
205: ok 11806 # correct SSSR count
205: ok 11807 # ring membership passed
205: ok 11808 # correct SSSR count
205: ok 11809 # ring membership passed
205: ok 11810 # correct ring bond data
205: ok 11811 # correct ring bond data
205: ok 11812 # correct ring bond data
205: ok 11813 # correct ring bond data
205: ok 11814 # correct ring bond data
205: ok 11815 # correct ring bond data
205: ok 11816 # correct ring bond data
205: ok 11817 # correct ring bond data
205: ok 11818 # correct ring bond data
205: ok 11819 # correct ring bond data
205: ok 11820 # correct ring bond data
205: ok 11821 # correct ring bond data
205: ok 11822 # correct ring bond data
205: ok 11823 # correct ring bond data
205: ok 11824 # correct ring bond data
205: ok 11825 # correct ring bond data
205: ok 11826 # correct ring bond data
205: ok 11827 # correct ring bond data
205: ok 11828 # correct ring bond data
205: ok 11829 # correct ring bond data
205: ok 11830 # correct ring bond data
205: ok 11831 # correct ring bond data
205: ok 11832 # correct ring bond data
205: ok 11833 # correct ring bond data
205: ok 11834 # correct ring bond data
205: ok 11835 # correct ring bond data
205: ok 11836 # correct ring bond data
205: ok 11837 # correct ring bond data
205: ok 11838 # correct ring bond data
205: ok 11839 # correct ring bond data
205: ok 11840 # correct ring bond data
205: ok 11841 # SSSR size matches reference
205: ok 11842 # correct SSSR count
205: ok 11843 # ring membership passed
205: ok 11844 # correct SSSR count
205: ok 11845 # ring membership passed
205: ok 11846 # correct SSSR count
205: ok 11847 # ring membership passed
205: ok 11848 # correct SSSR count
205: ok 11849 # ring membership passed
205: ok 11850 # correct SSSR count
205: ok 11851 # ring membership passed
205: ok 11852 # correct SSSR count
205: ok 11853 # ring membership passed
205: ok 11854 # correct SSSR count
205: ok 11855 # ring membership passed
205: ok 11856 # correct SSSR count
205: ok 11857 # ring membership passed
205: ok 11858 # correct SSSR count
205: ok 11859 # ring membership passed
205: ok 11860 # correct SSSR count
205: ok 11861 # ring membership passed
205: ok 11862 # correct SSSR count
205: ok 11863 # ring membership passed
205: ok 11864 # correct SSSR count
205: ok 11865 # ring membership passed
205: ok 11866 # correct SSSR count
205: ok 11867 # ring membership passed
205: ok 11868 # correct SSSR count
205: ok 11869 # ring membership passed
205: ok 11870 # correct SSSR count
205: ok 11871 # ring membership passed
205: ok 11872 # correct SSSR count
205: ok 11873 # ring membership passed
205: ok 11874 # correct SSSR count
205: ok 11875 # ring membership passed
205: ok 11876 # correct SSSR count
205: ok 11877 # ring membership passed
205: ok 11878 # correct SSSR count
205: ok 11879 # ring membership passed
205: ok 11880 # correct SSSR count
205: ok 11881 # ring membership passed
205: ok 11882 # correct SSSR count
205: ok 11883 # ring membership passed
205: ok 11884 # correct SSSR count
205: ok 11885 # ring membership passed
205: ok 11886 # correct SSSR count
205: ok 11887 # ring membership passed
205: ok 11888 # correct SSSR count
205: ok 11889 # ring membership passed
205: ok 11890 # correct SSSR count
205: ok 11891 # ring membership passed
205: ok 11892 # correct SSSR count
205: ok 11893 # ring membership passed
205: ok 11894 # correct SSSR count
205: ok 11895 # ring membership passed
205: ok 11896 # correct SSSR count
205: ok 11897 # ring membership passed
205: ok 11898 # correct SSSR count
205: ok 11899 # ring membership passed
205: ok 11900 # correct ring bond data
205: ok 11901 # correct ring bond data
205: ok 11902 # correct ring bond data
205: ok 11903 # correct ring bond data
205: ok 11904 # correct ring bond data
205: ok 11905 # correct ring bond data
205: ok 11906 # correct ring bond data
205: ok 11907 # correct ring bond data
205: ok 11908 # correct ring bond data
205: ok 11909 # correct ring bond data
205: ok 11910 # correct ring bond data
205: ok 11911 # correct ring bond data
205: ok 11912 # correct ring bond data
205: ok 11913 # correct ring bond data
205: ok 11914 # correct ring bond data
205: ok 11915 # SSSR size matches reference
205: ok 11916 # correct SSSR count
205: ok 11917 # ring membership passed
205: ok 11918 # correct SSSR count
205: ok 11919 # ring membership passed
205: ok 11920 # correct SSSR count
205: ok 11921 # ring membership passed
205: ok 11922 # correct SSSR count
205: ok 11923 # ring membership passed
205: ok 11924 # correct SSSR count
205: ok 11925 # ring membership passed
205: ok 11926 # correct SSSR count
205: ok 11927 # ring membership passed
205: ok 11928 # correct SSSR count
205: ok 11929 # ring membership passed
205: ok 11930 # correct SSSR count
205: ok 11931 # ring membership passed
205: ok 11932 # correct SSSR count
205: ok 11933 # ring membership passed
205: ok 11934 # correct SSSR count
205: ok 11935 # ring membership passed
205: ok 11936 # correct SSSR count
205: ok 11937 # ring membership passed
205: ok 11938 # correct SSSR count
205: ok 11939 # ring membership passed
205: ok 11940 # correct SSSR count
205: ok 11941 # ring membership passed
205: ok 11942 # correct SSSR count
205: ok 11943 # ring membership passed
205: ok 11944 # correct SSSR count
205: ok 11945 # ring membership passed
205: ok 11946 # correct ring bond data
205: ok 11947 # correct ring bond data
205: ok 11948 # correct ring bond data
205: ok 11949 # correct ring bond data
205: ok 11950 # correct ring bond data
205: ok 11951 # correct ring bond data
205: ok 11952 # correct ring bond data
205: ok 11953 # correct ring bond data
205: ok 11954 # correct ring bond data
205: ok 11955 # correct ring bond data
205: ok 11956 # correct ring bond data
205: ok 11957 # correct ring bond data
205: ok 11958 # correct ring bond data
205: ok 11959 # correct ring bond data
205: ok 11960 # correct ring bond data
205: ok 11961 # correct ring bond data
205: ok 11962 # correct ring bond data
205: ok 11963 # correct ring bond data
205: ok 11964 # correct ring bond data
205: ok 11965 # correct ring bond data
205: ok 11966 # correct ring bond data
205: ok 11967 # correct ring bond data
205: ok 11968 # correct ring bond data
205: ok 11969 # correct ring bond data
205: ok 11970 # correct ring bond data
205: ok 11971 # correct ring bond data
205: ok 11972 # correct ring bond data
205: ok 11973 # correct ring bond data
205: ok 11974 # correct ring bond data
205: ok 11975 # correct ring bond data
205: ok 11976 # correct ring bond data
205: ok 11977 # SSSR size matches reference
205: ok 11978 # correct SSSR count
205: ok 11979 # ring membership passed
205: ok 11980 # correct SSSR count
205: ok 11981 # ring membership passed
205: ok 11982 # correct SSSR count
205: ok 11983 # ring membership passed
205: ok 11984 # correct SSSR count
205: ok 11985 # ring membership passed
205: ok 11986 # correct SSSR count
205: ok 11987 # ring membership passed
205: ok 11988 # correct SSSR count
205: ok 11989 # ring membership passed
205: ok 11990 # correct SSSR count
205: ok 11991 # ring membership passed
205: ok 11992 # correct SSSR count
205: ok 11993 # ring membership passed
205: ok 11994 # correct SSSR count
205: ok 11995 # ring membership passed
205: ok 11996 # correct SSSR count
205: ok 11997 # ring membership passed
205: ok 11998 # correct SSSR count
205: ok 11999 # ring membership passed
205: ok 12000 # correct SSSR count
205: ok 12001 # ring membership passed
205: ok 12002 # correct SSSR count
205: ok 12003 # ring membership passed
205: ok 12004 # correct SSSR count
205: ok 12005 # ring membership passed
205: ok 12006 # correct SSSR count
205: ok 12007 # ring membership passed
205: ok 12008 # correct SSSR count
205: ok 12009 # ring membership passed
205: ok 12010 # correct SSSR count
205: ok 12011 # ring membership passed
205: ok 12012 # correct SSSR count
205: ok 12013 # ring membership passed
205: ok 12014 # correct SSSR count
205: ok 12015 # ring membership passed
205: ok 12016 # correct SSSR count
205: ok 12017 # ring membership passed
205: ok 12018 # correct SSSR count
205: ok 12019 # ring membership passed
205: ok 12020 # correct SSSR count
205: ok 12021 # ring membership passed
205: ok 12022 # correct SSSR count
205: ok 12023 # ring membership passed
205: ok 12024 # correct SSSR count
205: ok 12025 # ring membership passed
205: ok 12026 # correct SSSR count
205: ok 12027 # ring membership passed
205: ok 12028 # correct SSSR count
205: ok 12029 # ring membership passed
205: ok 12030 # correct SSSR count
205: ok 12031 # ring membership passed
205: ok 12032 # correct SSSR count
205: ok 12033 # ring membership passed
205: ok 12034 # correct ring bond data
205: ok 12035 # correct ring bond data
205: ok 12036 # correct ring bond data
205: ok 12037 # correct ring bond data
205: ok 12038 # correct ring bond data
205: ok 12039 # correct ring bond data
205: ok 12040 # correct ring bond data
205: ok 12041 # correct ring bond data
205: ok 12042 # correct ring bond data
205: ok 12043 # correct ring bond data
205: ok 12044 # correct ring bond data
205: ok 12045 # correct ring bond data
205: ok 12046 # correct ring bond data
205: ok 12047 # correct ring bond data
205: ok 12048 # correct ring bond data
205: ok 12049 # correct ring bond data
205: ok 12050 # correct ring bond data
205: ok 12051 # SSSR size matches reference
205: ok 12052 # correct SSSR count
205: ok 12053 # ring membership passed
205: ok 12054 # correct SSSR count
205: ok 12055 # ring membership passed
205: ok 12056 # correct SSSR count
205: ok 12057 # ring membership passed
205: ok 12058 # correct SSSR count
205: ok 12059 # ring membership passed
205: ok 12060 # correct SSSR count
205: ok 12061 # ring membership passed
205: ok 12062 # correct SSSR count
205: ok 12063 # ring membership passed
205: ok 12064 # correct SSSR count
205: ok 12065 # ring membership passed
205: ok 12066 # correct SSSR count
205: ok 12067 # ring membership passed
205: ok 12068 # correct SSSR count
205: ok 12069 # ring membership passed
205: ok 12070 # correct SSSR count
205: ok 12071 # ring membership passed
205: ok 12072 # correct SSSR count
205: ok 12073 # ring membership passed
205: ok 12074 # correct SSSR count
205: ok 12075 # ring membership passed
205: ok 12076 # correct SSSR count
205: ok 12077 # ring membership passed
205: ok 12078 # correct SSSR count
205: ok 12079 # ring membership passed
205: ok 12080 # correct SSSR count
205: ok 12081 # ring membership passed
205: ok 12082 # correct SSSR count
205: ok 12083 # ring membership passed
205: ok 12084 # correct SSSR count
205: ok 12085 # ring membership passed
205: ok 12086 # correct ring bond data
205: ok 12087 # correct ring bond data
205: ok 12088 # correct ring bond data
205: ok 12089 # correct ring bond data
205: ok 12090 # correct ring bond data
205: ok 12091 # correct ring bond data
205: ok 12092 # correct ring bond data
205: ok 12093 # correct ring bond data
205: ok 12094 # correct ring bond data
205: ok 12095 # correct ring bond data
205: ok 12096 # correct ring bond data
205: ok 12097 # correct ring bond data
205: ok 12098 # correct ring bond data
205: ok 12099 # correct ring bond data
205: ok 12100 # correct ring bond data
205: ok 12101 # correct ring bond data
205: ok 12102 # correct ring bond data
205: ok 12103 # correct ring bond data
205: ok 12104 # correct ring bond data
205: ok 12105 # correct ring bond data
205: ok 12106 # correct ring bond data
205: ok 12107 # correct ring bond data
205: ok 12108 # correct ring bond data
205: ok 12109 # correct ring bond data
205: ok 12110 # correct ring bond data
205: ok 12111 # correct ring bond data
205: ok 12112 # SSSR size matches reference
205: ok 12113 # correct SSSR count
205: ok 12114 # ring membership passed
205: ok 12115 # correct SSSR count
205: ok 12116 # ring membership passed
205: ok 12117 # correct SSSR count
205: ok 12118 # ring membership passed
205: ok 12119 # correct SSSR count
205: ok 12120 # ring membership passed
205: ok 12121 # correct SSSR count
205: ok 12122 # ring membership passed
205: ok 12123 # correct SSSR count
205: ok 12124 # ring membership passed
205: ok 12125 # correct SSSR count
205: ok 12126 # ring membership passed
205: ok 12127 # correct SSSR count
205: ok 12128 # ring membership passed
205: ok 12129 # correct SSSR count
205: ok 12130 # ring membership passed
205: ok 12131 # correct SSSR count
205: ok 12132 # ring membership passed
205: ok 12133 # correct SSSR count
205: ok 12134 # ring membership passed
205: ok 12135 # correct SSSR count
205: ok 12136 # ring membership passed
205: ok 12137 # correct SSSR count
205: ok 12138 # ring membership passed
205: ok 12139 # correct SSSR count
205: ok 12140 # ring membership passed
205: ok 12141 # correct SSSR count
205: ok 12142 # ring membership passed
205: ok 12143 # correct SSSR count
205: ok 12144 # ring membership passed
205: ok 12145 # correct SSSR count
205: ok 12146 # ring membership passed
205: ok 12147 # correct SSSR count
205: ok 12148 # ring membership passed
205: ok 12149 # correct SSSR count
205: ok 12150 # ring membership passed
205: ok 12151 # correct SSSR count
205: ok 12152 # ring membership passed
205: ok 12153 # correct SSSR count
205: ok 12154 # ring membership passed
205: ok 12155 # correct SSSR count
205: ok 12156 # ring membership passed
205: ok 12157 # correct SSSR count
205: ok 12158 # ring membership passed
205: ok 12159 # correct SSSR count
205: ok 12160 # ring membership passed
205: ok 12161 # correct ring bond data
205: ok 12162 # correct ring bond data
205: ok 12163 # correct ring bond data
205: ok 12164 # correct ring bond data
205: ok 12165 # correct ring bond data
205: ok 12166 # correct ring bond data
205: ok 12167 # correct ring bond data
205: ok 12168 # correct ring bond data
205: ok 12169 # correct ring bond data
205: ok 12170 # correct ring bond data
205: ok 12171 # correct ring bond data
205: ok 12172 # correct ring bond data
205: ok 12173 # correct ring bond data
205: ok 12174 # correct ring bond data
205: ok 12175 # correct ring bond data
205: ok 12176 # correct ring bond data
205: ok 12177 # correct ring bond data
205: ok 12178 # correct ring bond data
205: ok 12179 # correct ring bond data
205: ok 12180 # correct ring bond data
205: ok 12181 # correct ring bond data
205: ok 12182 # correct ring bond data
205: ok 12183 # correct ring bond data
205: ok 12184 # correct ring bond data
205: ok 12185 # correct ring bond data
205: ok 12186 # correct ring bond data
205: ok 12187 # correct ring bond data
205: ok 12188 # correct ring bond data
205: ok 12189 # SSSR size matches reference
205: ok 12190 # correct SSSR count
205: ok 12191 # ring membership passed
205: ok 12192 # correct SSSR count
205: ok 12193 # ring membership passed
205: ok 12194 # correct SSSR count
205: ok 12195 # ring membership passed
205: ok 12196 # correct SSSR count
205: ok 12197 # ring membership passed
205: ok 12198 # correct SSSR count
205: ok 12199 # ring membership passed
205: ok 12200 # correct SSSR count
205: ok 12201 # ring membership passed
205: ok 12202 # correct SSSR count
205: ok 12203 # ring membership passed
205: ok 12204 # correct SSSR count
205: ok 12205 # ring membership passed
205: ok 12206 # correct SSSR count
205: ok 12207 # ring membership passed
205: ok 12208 # correct SSSR count
205: ok 12209 # ring membership passed
205: ok 12210 # correct SSSR count
205: ok 12211 # ring membership passed
205: ok 12212 # correct SSSR count
205: ok 12213 # ring membership passed
205: ok 12214 # correct SSSR count
205: ok 12215 # ring membership passed
205: ok 12216 # correct SSSR count
205: ok 12217 # ring membership passed
205: ok 12218 # correct SSSR count
205: ok 12219 # ring membership passed
205: ok 12220 # correct SSSR count
205: ok 12221 # ring membership passed
205: ok 12222 # correct SSSR count
205: ok 12223 # ring membership passed
205: ok 12224 # correct SSSR count
205: ok 12225 # ring membership passed
205: ok 12226 # correct SSSR count
205: ok 12227 # ring membership passed
205: ok 12228 # correct SSSR count
205: ok 12229 # ring membership passed
205: ok 12230 # correct SSSR count
205: ok 12231 # ring membership passed
205: ok 12232 # correct SSSR count
205: ok 12233 # ring membership passed
205: ok 12234 # correct SSSR count
205: ok 12235 # ring membership passed
205: ok 12236 # correct SSSR count
205: ok 12237 # ring membership passed
205: ok 12238 # correct SSSR count
205: ok 12239 # ring membership passed
205: ok 12240 # correct SSSR count
205: ok 12241 # ring membership passed
205: ok 12242 # correct ring bond data
205: ok 12243 # correct ring bond data
205: ok 12244 # correct ring bond data
205: ok 12245 # correct ring bond data
205: ok 12246 # correct ring bond data
205: ok 12247 # correct ring bond data
205: ok 12248 # correct ring bond data
205: ok 12249 # correct ring bond data
205: ok 12250 # correct ring bond data
205: ok 12251 # SSSR size matches reference
205: ok 12252 # correct SSSR count
205: ok 12253 # ring membership passed
205: ok 12254 # correct SSSR count
205: ok 12255 # ring membership passed
205: ok 12256 # correct SSSR count
205: ok 12257 # ring membership passed
205: ok 12258 # correct SSSR count
205: ok 12259 # ring membership passed
205: ok 12260 # correct SSSR count
205: ok 12261 # ring membership passed
205: ok 12262 # correct SSSR count
205: ok 12263 # ring membership passed
205: ok 12264 # correct SSSR count
205: ok 12265 # ring membership passed
205: ok 12266 # correct SSSR count
205: ok 12267 # ring membership passed
205: ok 12268 # correct SSSR count
205: ok 12269 # ring membership passed
205: ok 12270 # correct ring bond data
205: ok 12271 # correct ring bond data
205: ok 12272 # correct ring bond data
205: ok 12273 # correct ring bond data
205: ok 12274 # correct ring bond data
205: ok 12275 # correct ring bond data
205: ok 12276 # correct ring bond data
205: ok 12277 # correct ring bond data
205: ok 12278 # correct ring bond data
205: ok 12279 # correct ring bond data
205: ok 12280 # correct ring bond data
205: ok 12281 # correct ring bond data
205: ok 12282 # correct ring bond data
205: ok 12283 # correct ring bond data
205: ok 12284 # correct ring bond data
205: ok 12285 # correct ring bond data
205: ok 12286 # correct ring bond data
205: ok 12287 # correct ring bond data
205: ok 12288 # correct ring bond data
205: ok 12289 # correct ring bond data
205: ok 12290 # correct ring bond data
205: ok 12291 # correct ring bond data
205: ok 12292 # SSSR size matches reference
205: ok 12293 # correct SSSR count
205: ok 12294 # ring membership passed
205: ok 12295 # correct SSSR count
205: ok 12296 # ring membership passed
205: ok 12297 # correct SSSR count
205: ok 12298 # ring membership passed
205: ok 12299 # correct SSSR count
205: ok 12300 # ring membership passed
205: ok 12301 # correct SSSR count
205: ok 12302 # ring membership passed
205: ok 12303 # correct SSSR count
205: ok 12304 # ring membership passed
205: ok 12305 # correct SSSR count
205: ok 12306 # ring membership passed
205: ok 12307 # correct SSSR count
205: ok 12308 # ring membership passed
205: ok 12309 # correct SSSR count
205: ok 12310 # ring membership passed
205: ok 12311 # correct SSSR count
205: ok 12312 # ring membership passed
205: ok 12313 # correct SSSR count
205: ok 12314 # ring membership passed
205: ok 12315 # correct SSSR count
205: ok 12316 # ring membership passed
205: ok 12317 # correct SSSR count
205: ok 12318 # ring membership passed
205: ok 12319 # correct SSSR count
205: ok 12320 # ring membership passed
205: ok 12321 # correct SSSR count
205: ok 12322 # ring membership passed
205: ok 12323 # correct SSSR count
205: ok 12324 # ring membership passed
205: ok 12325 # correct SSSR count
205: ok 12326 # ring membership passed
205: ok 12327 # correct SSSR count
205: ok 12328 # ring membership passed
205: ok 12329 # correct SSSR count
205: ok 12330 # ring membership passed
205: ok 12331 # correct SSSR count
205: ok 12332 # ring membership passed
205: ok 12333 # correct SSSR count
205: ok 12334 # ring membership passed
205: ok 12335 # correct ring bond data
205: ok 12336 # correct ring bond data
205: ok 12337 # correct ring bond data
205: ok 12338 # correct ring bond data
205: ok 12339 # correct ring bond data
205: ok 12340 # correct ring bond data
205: ok 12341 # correct ring bond data
205: ok 12342 # correct ring bond data
205: ok 12343 # correct ring bond data
205: ok 12344 # correct ring bond data
205: ok 12345 # correct ring bond data
205: ok 12346 # correct ring bond data
205: ok 12347 # correct ring bond data
205: ok 12348 # correct ring bond data
205: ok 12349 # correct ring bond data
205: ok 12350 # correct ring bond data
205: ok 12351 # correct ring bond data
205: ok 12352 # correct ring bond data
205: ok 12353 # correct ring bond data
205: ok 12354 # correct ring bond data
205: ok 12355 # correct ring bond data
205: ok 12356 # correct ring bond data
205: ok 12357 # correct ring bond data
205: ok 12358 # correct ring bond data
205: ok 12359 # correct ring bond data
205: ok 12360 # correct ring bond data
205: ok 12361 # SSSR size matches reference
205: ok 12362 # correct SSSR count
205: ok 12363 # ring membership passed
205: ok 12364 # correct SSSR count
205: ok 12365 # ring membership passed
205: ok 12366 # correct SSSR count
205: ok 12367 # ring membership passed
205: ok 12368 # correct SSSR count
205: ok 12369 # ring membership passed
205: ok 12370 # correct SSSR count
205: ok 12371 # ring membership passed
205: ok 12372 # correct SSSR count
205: ok 12373 # ring membership passed
205: ok 12374 # correct SSSR count
205: ok 12375 # ring membership passed
205: ok 12376 # correct SSSR count
205: ok 12377 # ring membership passed
205: ok 12378 # correct SSSR count
205: ok 12379 # ring membership passed
205: ok 12380 # correct SSSR count
205: ok 12381 # ring membership passed
205: ok 12382 # correct SSSR count
205: ok 12383 # ring membership passed
205: ok 12384 # correct SSSR count
205: ok 12385 # ring membership passed
205: ok 12386 # correct SSSR count
205: ok 12387 # ring membership passed
205: ok 12388 # correct SSSR count
205: ok 12389 # ring membership passed
205: ok 12390 # correct SSSR count
205: ok 12391 # ring membership passed
205: ok 12392 # correct SSSR count
205: ok 12393 # ring membership passed
205: ok 12394 # correct SSSR count
205: ok 12395 # ring membership passed
205: ok 12396 # correct SSSR count
205: ok 12397 # ring membership passed
205: ok 12398 # correct SSSR count
205: ok 12399 # ring membership passed
205: ok 12400 # correct SSSR count
205: ok 12401 # ring membership passed
205: ok 12402 # correct SSSR count
205: ok 12403 # ring membership passed
205: ok 12404 # correct SSSR count
205: ok 12405 # ring membership passed
205: ok 12406 # correct SSSR count
205: ok 12407 # ring membership passed
205: ok 12408 # correct SSSR count
205: ok 12409 # ring membership passed
205: ok 12410 # correct SSSR count
205: ok 12411 # ring membership passed
205: ok 12412 # correct ring bond data
205: ok 12413 # correct ring bond data
205: ok 12414 # correct ring bond data
205: ok 12415 # correct ring bond data
205: ok 12416 # correct ring bond data
205: ok 12417 # correct ring bond data
205: ok 12418 # correct ring bond data
205: ok 12419 # correct ring bond data
205: ok 12420 # correct ring bond data
205: ok 12421 # correct ring bond data
205: ok 12422 # correct ring bond data
205: ok 12423 # correct ring bond data
205: ok 12424 # correct ring bond data
205: ok 12425 # correct ring bond data
205: ok 12426 # correct ring bond data
205: ok 12427 # correct ring bond data
205: ok 12428 # correct ring bond data
205: ok 12429 # correct ring bond data
205: ok 12430 # correct ring bond data
205: ok 12431 # correct ring bond data
205: ok 12432 # correct ring bond data
205: ok 12433 # correct ring bond data
205: ok 12434 # correct ring bond data
205: ok 12435 # correct ring bond data
205: ok 12436 # correct ring bond data
205: ok 12437 # correct ring bond data
205: ok 12438 # correct ring bond data
205: ok 12439 # correct ring bond data
205: ok 12440 # correct ring bond data
205: ok 12441 # SSSR size matches reference
205: ok 12442 # correct SSSR count
205: ok 12443 # ring membership passed
205: ok 12444 # correct SSSR count
205: ok 12445 # ring membership passed
205: ok 12446 # correct SSSR count
205: ok 12447 # ring membership passed
205: ok 12448 # correct SSSR count
205: ok 12449 # ring membership passed
205: ok 12450 # correct SSSR count
205: ok 12451 # ring membership passed
205: ok 12452 # correct SSSR count
205: ok 12453 # ring membership passed
205: ok 12454 # correct SSSR count
205: ok 12455 # ring membership passed
205: ok 12456 # correct SSSR count
205: ok 12457 # ring membership passed
205: ok 12458 # correct SSSR count
205: ok 12459 # ring membership passed
205: ok 12460 # correct SSSR count
205: ok 12461 # ring membership passed
205: ok 12462 # correct SSSR count
205: ok 12463 # ring membership passed
205: ok 12464 # correct SSSR count
205: ok 12465 # ring membership passed
205: ok 12466 # correct SSSR count
205: ok 12467 # ring membership passed
205: ok 12468 # correct SSSR count
205: ok 12469 # ring membership passed
205: ok 12470 # correct SSSR count
205: ok 12471 # ring membership passed
205: ok 12472 # correct SSSR count
205: ok 12473 # ring membership passed
205: ok 12474 # correct SSSR count
205: ok 12475 # ring membership passed
205: ok 12476 # correct SSSR count
205: ok 12477 # ring membership passed
205: ok 12478 # correct SSSR count
205: ok 12479 # ring membership passed
205: ok 12480 # correct SSSR count
205: ok 12481 # ring membership passed
205: ok 12482 # correct SSSR count
205: ok 12483 # ring membership passed
205: ok 12484 # correct SSSR count
205: ok 12485 # ring membership passed
205: ok 12486 # correct SSSR count
205: ok 12487 # ring membership passed
205: ok 12488 # correct SSSR count
205: ok 12489 # ring membership passed
205: ok 12490 # correct SSSR count
205: ok 12491 # ring membership passed
205: ok 12492 # correct SSSR count
205: ok 12493 # ring membership passed
205: ok 12494 # correct SSSR count
205: ok 12495 # ring membership passed
205: ok 12496 # correct SSSR count
205: ok 12497 # ring membership passed
205: ok 12498 # correct ring bond data
205: ok 12499 # correct ring bond data
205: ok 12500 # correct ring bond data
205: ok 12501 # correct ring bond data
205: ok 12502 # correct ring bond data
205: ok 12503 # correct ring bond data
205: ok 12504 # correct ring bond data
205: ok 12505 # correct ring bond data
205: ok 12506 # correct ring bond data
205: ok 12507 # correct ring bond data
205: ok 12508 # correct ring bond data
205: ok 12509 # correct ring bond data
205: ok 12510 # correct ring bond data
205: ok 12511 # correct ring bond data
205: ok 12512 # correct ring bond data
205: ok 12513 # correct ring bond data
205: ok 12514 # correct ring bond data
205: ok 12515 # correct ring bond data
205: ok 12516 # correct ring bond data
205: ok 12517 # correct ring bond data
205: ok 12518 # correct ring bond data
205: ok 12519 # correct ring bond data
205: ok 12520 # correct ring bond data
205: ok 12521 # correct ring bond data
205: ok 12522 # SSSR size matches reference
205: ok 12523 # correct SSSR count
205: ok 12524 # ring membership passed
205: ok 12525 # correct SSSR count
205: ok 12526 # ring membership passed
205: ok 12527 # correct SSSR count
205: ok 12528 # ring membership passed
205: ok 12529 # correct SSSR count
205: ok 12530 # ring membership passed
205: ok 12531 # correct SSSR count
205: ok 12532 # ring membership passed
205: ok 12533 # correct SSSR count
205: ok 12534 # ring membership passed
205: ok 12535 # correct SSSR count
205: ok 12536 # ring membership passed
205: ok 12537 # correct SSSR count
205: ok 12538 # ring membership passed
205: ok 12539 # correct SSSR count
205: ok 12540 # ring membership passed
205: ok 12541 # correct SSSR count
205: ok 12542 # ring membership passed
205: ok 12543 # correct SSSR count
205: ok 12544 # ring membership passed
205: ok 12545 # correct SSSR count
205: ok 12546 # ring membership passed
205: ok 12547 # correct SSSR count
205: ok 12548 # ring membership passed
205: ok 12549 # correct SSSR count
205: ok 12550 # ring membership passed
205: ok 12551 # correct SSSR count
205: ok 12552 # ring membership passed
205: ok 12553 # correct SSSR count
205: ok 12554 # ring membership passed
205: ok 12555 # correct SSSR count
205: ok 12556 # ring membership passed
205: ok 12557 # correct SSSR count
205: ok 12558 # ring membership passed
205: ok 12559 # correct SSSR count
205: ok 12560 # ring membership passed
205: ok 12561 # correct SSSR count
205: ok 12562 # ring membership passed
205: ok 12563 # correct SSSR count
205: ok 12564 # ring membership passed
205: ok 12565 # correct SSSR count
205: ok 12566 # ring membership passed
205: ok 12567 # correct SSSR count
205: ok 12568 # ring membership passed
205: ok 12569 # correct ring bond data
205: ok 12570 # correct ring bond data
205: ok 12571 # correct ring bond data
205: ok 12572 # correct ring bond data
205: ok 12573 # correct ring bond data
205: ok 12574 # correct ring bond data
205: ok 12575 # correct ring bond data
205: ok 12576 # correct ring bond data
205: ok 12577 # correct ring bond data
205: ok 12578 # correct ring bond data
205: ok 12579 # correct ring bond data
205: ok 12580 # correct ring bond data
205: ok 12581 # correct ring bond data
205: ok 12582 # correct ring bond data
205: ok 12583 # correct ring bond data
205: ok 12584 # SSSR size matches reference
205: ok 12585 # correct SSSR count
205: ok 12586 # ring membership passed
205: ok 12587 # correct SSSR count
205: ok 12588 # ring membership passed
205: ok 12589 # correct SSSR count
205: ok 12590 # ring membership passed
205: ok 12591 # correct SSSR count
205: ok 12592 # ring membership passed
205: ok 12593 # correct SSSR count
205: ok 12594 # ring membership passed
205: ok 12595 # correct SSSR count
205: ok 12596 # ring membership passed
205: ok 12597 # correct SSSR count
205: ok 12598 # ring membership passed
205: ok 12599 # correct SSSR count
205: ok 12600 # ring membership passed
205: ok 12601 # correct SSSR count
205: ok 12602 # ring membership passed
205: ok 12603 # correct SSSR count
205: ok 12604 # ring membership passed
205: ok 12605 # correct SSSR count
205: ok 12606 # ring membership passed
205: ok 12607 # correct SSSR count
205: ok 12608 # ring membership passed
205: ok 12609 # correct SSSR count
205: ok 12610 # ring membership passed
205: ok 12611 # correct SSSR count
205: ok 12612 # ring membership passed
205: ok 12613 # correct SSSR count
205: ok 12614 # ring membership passed
205: ok 12615 # correct ring bond data
205: ok 12616 # correct ring bond data
205: ok 12617 # correct ring bond data
205: ok 12618 # correct ring bond data
205: ok 12619 # correct ring bond data
205: ok 12620 # correct ring bond data
205: ok 12621 # correct ring bond data
205: ok 12622 # correct ring bond data
205: ok 12623 # correct ring bond data
205: ok 12624 # correct ring bond data
205: ok 12625 # correct ring bond data
205: ok 12626 # correct ring bond data
205: ok 12627 # correct ring bond data
205: ok 12628 # correct ring bond data
205: ok 12629 # correct ring bond data
205: ok 12630 # SSSR size matches reference
205: ok 12631 # correct SSSR count
205: ok 12632 # ring membership passed
205: ok 12633 # correct SSSR count
205: ok 12634 # ring membership passed
205: ok 12635 # correct SSSR count
205: ok 12636 # ring membership passed
205: ok 12637 # correct SSSR count
205: ok 12638 # ring membership passed
205: ok 12639 # correct SSSR count
205: ok 12640 # ring membership passed
205: ok 12641 # correct SSSR count
205: ok 12642 # ring membership passed
205: ok 12643 # correct SSSR count
205: ok 12644 # ring membership passed
205: ok 12645 # correct SSSR count
205: ok 12646 # ring membership passed
205: ok 12647 # correct SSSR count
205: ok 12648 # ring membership passed
205: ok 12649 # correct SSSR count
205: ok 12650 # ring membership passed
205: ok 12651 # correct SSSR count
205: ok 12652 # ring membership passed
205: ok 12653 # correct SSSR count
205: ok 12654 # ring membership passed
205: ok 12655 # correct SSSR count
205: ok 12656 # ring membership passed
205: ok 12657 # correct SSSR count
205: ok 12658 # ring membership passed
205: ok 12659 # correct SSSR count
205: ok 12660 # ring membership passed
205: ok 12661 # correct ring bond data
205: ok 12662 # correct ring bond data
205: ok 12663 # correct ring bond data
205: ok 12664 # correct ring bond data
205: ok 12665 # correct ring bond data
205: ok 12666 # correct ring bond data
205: ok 12667 # correct ring bond data
205: ok 12668 # correct ring bond data
205: ok 12669 # correct ring bond data
205: ok 12670 # correct ring bond data
205: ok 12671 # correct ring bond data
205: ok 12672 # correct ring bond data
205: ok 12673 # correct ring bond data
205: ok 12674 # correct ring bond data
205: ok 12675 # correct ring bond data
205: ok 12676 # correct ring bond data
205: ok 12677 # correct ring bond data
205: ok 12678 # correct ring bond data
205: ok 12679 # SSSR size matches reference
205: ok 12680 # correct SSSR count
205: ok 12681 # ring membership passed
205: ok 12682 # correct SSSR count
205: ok 12683 # ring membership passed
205: ok 12684 # correct SSSR count
205: ok 12685 # ring membership passed
205: ok 12686 # correct SSSR count
205: ok 12687 # ring membership passed
205: ok 12688 # correct SSSR count
205: ok 12689 # ring membership passed
205: ok 12690 # correct SSSR count
205: ok 12691 # ring membership passed
205: ok 12692 # correct SSSR count
205: ok 12693 # ring membership passed
205: ok 12694 # correct SSSR count
205: ok 12695 # ring membership passed
205: ok 12696 # correct SSSR count
205: ok 12697 # ring membership passed
205: ok 12698 # correct SSSR count
205: ok 12699 # ring membership passed
205: ok 12700 # correct SSSR count
205: ok 12701 # ring membership passed
205: ok 12702 # correct SSSR count
205: ok 12703 # ring membership passed
205: ok 12704 # correct SSSR count
205: ok 12705 # ring membership passed
205: ok 12706 # correct SSSR count
205: ok 12707 # ring membership passed
205: ok 12708 # correct SSSR count
205: ok 12709 # ring membership passed
205: ok 12710 # correct SSSR count
205: ok 12711 # ring membership passed
205: ok 12712 # correct SSSR count
205: ok 12713 # ring membership passed
205: ok 12714 # correct ring bond data
205: ok 12715 # correct ring bond data
205: ok 12716 # correct ring bond data
205: ok 12717 # correct ring bond data
205: ok 12718 # correct ring bond data
205: ok 12719 # correct ring bond data
205: ok 12720 # correct ring bond data
205: ok 12721 # correct ring bond data
205: ok 12722 # correct ring bond data
205: ok 12723 # correct ring bond data
205: ok 12724 # correct ring bond data
205: ok 12725 # correct ring bond data
205: ok 12726 # correct ring bond data
205: ok 12727 # correct ring bond data
205: ok 12728 # SSSR size matches reference
205: ok 12729 # correct SSSR count
205: ok 12730 # ring membership passed
205: ok 12731 # correct SSSR count
205: ok 12732 # ring membership passed
205: ok 12733 # correct SSSR count
205: ok 12734 # ring membership passed
205: ok 12735 # correct SSSR count
205: ok 12736 # ring membership passed
205: ok 12737 # correct SSSR count
205: ok 12738 # ring membership passed
205: ok 12739 # correct SSSR count
205: ok 12740 # ring membership passed
205: ok 12741 # correct SSSR count
205: ok 12742 # ring membership passed
205: ok 12743 # correct SSSR count
205: ok 12744 # ring membership passed
205: ok 12745 # correct SSSR count
205: ok 12746 # ring membership passed
205: ok 12747 # correct SSSR count
205: ok 12748 # ring membership passed
205: ok 12749 # correct SSSR count
205: ok 12750 # ring membership passed
205: ok 12751 # correct SSSR count
205: ok 12752 # ring membership passed
205: ok 12753 # correct SSSR count
205: ok 12754 # ring membership passed
205: ok 12755 # correct SSSR count
205: ok 12756 # ring membership passed
205: ok 12757 # correct ring bond data
205: ok 12758 # correct ring bond data
205: ok 12759 # correct ring bond data
205: ok 12760 # correct ring bond data
205: ok 12761 # correct ring bond data
205: ok 12762 # correct ring bond data
205: ok 12763 # correct ring bond data
205: ok 12764 # correct ring bond data
205: ok 12765 # SSSR size matches reference
205: ok 12766 # correct SSSR count
205: ok 12767 # ring membership passed
205: ok 12768 # correct SSSR count
205: ok 12769 # ring membership passed
205: ok 12770 # correct SSSR count
205: ok 12771 # ring membership passed
205: ok 12772 # correct SSSR count
205: ok 12773 # ring membership passed
205: ok 12774 # correct SSSR count
205: ok 12775 # ring membership passed
205: ok 12776 # correct SSSR count
205: ok 12777 # ring membership passed
205: ok 12778 # correct SSSR count
205: ok 12779 # ring membership passed
205: ok 12780 # correct SSSR count
205: ok 12781 # ring membership passed
205: ok 12782 # correct ring bond data
205: ok 12783 # correct ring bond data
205: ok 12784 # correct ring bond data
205: ok 12785 # correct ring bond data
205: ok 12786 # correct ring bond data
205: ok 12787 # correct ring bond data
205: ok 12788 # correct ring bond data
205: ok 12789 # correct ring bond data
205: ok 12790 # correct ring bond data
205: ok 12791 # correct ring bond data
205: ok 12792 # SSSR size matches reference
205: ok 12793 # correct SSSR count
205: ok 12794 # ring membership passed
205: ok 12795 # correct SSSR count
205: ok 12796 # ring membership passed
205: ok 12797 # correct SSSR count
205: ok 12798 # ring membership passed
205: ok 12799 # correct SSSR count
205: ok 12800 # ring membership passed
205: ok 12801 # correct SSSR count
205: ok 12802 # ring membership passed
205: ok 12803 # correct SSSR count
205: ok 12804 # ring membership passed
205: ok 12805 # correct SSSR count
205: ok 12806 # ring membership passed
205: ok 12807 # correct SSSR count
205: ok 12808 # ring membership passed
205: ok 12809 # correct SSSR count
205: ok 12810 # ring membership passed
205: ok 12811 # correct SSSR count
205: ok 12812 # ring membership passed
205: ok 12813 # correct ring bond data
205: ok 12814 # correct ring bond data
205: ok 12815 # correct ring bond data
205: ok 12816 # correct ring bond data
205: ok 12817 # correct ring bond data
205: ok 12818 # correct ring bond data
205: ok 12819 # correct ring bond data
205: ok 12820 # correct ring bond data
205: ok 12821 # correct ring bond data
205: ok 12822 # correct ring bond data
205: ok 12823 # correct ring bond data
205: ok 12824 # correct ring bond data
205: ok 12825 # correct ring bond data
205: ok 12826 # SSSR size matches reference
205: ok 12827 # correct SSSR count
205: ok 12828 # ring membership passed
205: ok 12829 # correct SSSR count
205: ok 12830 # ring membership passed
205: ok 12831 # correct SSSR count
205: ok 12832 # ring membership passed
205: ok 12833 # correct SSSR count
205: ok 12834 # ring membership passed
205: ok 12835 # correct SSSR count
205: ok 12836 # ring membership passed
205: ok 12837 # correct SSSR count
205: ok 12838 # ring membership passed
205: ok 12839 # correct SSSR count
205: ok 12840 # ring membership passed
205: ok 12841 # correct SSSR count
205: ok 12842 # ring membership passed
205: ok 12843 # correct SSSR count
205: ok 12844 # ring membership passed
205: ok 12845 # correct SSSR count
205: ok 12846 # ring membership passed
205: ok 12847 # correct SSSR count
205: ok 12848 # ring membership passed
205: ok 12849 # correct SSSR count
205: ok 12850 # ring membership passed
205: ok 12851 # correct SSSR count
205: ok 12852 # ring membership passed
205: ok 12853 # correct ring bond data
205: ok 12854 # correct ring bond data
205: ok 12855 # correct ring bond data
205: ok 12856 # correct ring bond data
205: ok 12857 # correct ring bond data
205: ok 12858 # correct ring bond data
205: ok 12859 # correct ring bond data
205: ok 12860 # correct ring bond data
205: ok 12861 # correct ring bond data
205: ok 12862 # SSSR size matches reference
205: ok 12863 # correct SSSR count
205: ok 12864 # ring membership passed
205: ok 12865 # correct SSSR count
205: ok 12866 # ring membership passed
205: ok 12867 # correct SSSR count
205: ok 12868 # ring membership passed
205: ok 12869 # correct SSSR count
205: ok 12870 # ring membership passed
205: ok 12871 # correct SSSR count
205: ok 12872 # ring membership passed
205: ok 12873 # correct SSSR count
205: ok 12874 # ring membership passed
205: ok 12875 # correct SSSR count
205: ok 12876 # ring membership passed
205: ok 12877 # correct SSSR count
205: ok 12878 # ring membership passed
205: ok 12879 # correct SSSR count
205: ok 12880 # ring membership passed
205: ok 12881 # correct ring bond data
205: ok 12882 # correct ring bond data
205: ok 12883 # correct ring bond data
205: ok 12884 # correct ring bond data
205: ok 12885 # correct ring bond data
205: ok 12886 # correct ring bond data
205: ok 12887 # correct ring bond data
205: ok 12888 # SSSR size matches reference
205: ok 12889 # correct SSSR count
205: ok 12890 # ring membership passed
205: ok 12891 # correct SSSR count
205: ok 12892 # ring membership passed
205: ok 12893 # correct SSSR count
205: ok 12894 # ring membership passed
205: ok 12895 # correct SSSR count
205: ok 12896 # ring membership passed
205: ok 12897 # correct SSSR count
205: ok 12898 # ring membership passed
205: ok 12899 # correct SSSR count
205: ok 12900 # ring membership passed
205: ok 12901 # correct SSSR count
205: ok 12902 # ring membership passed
205: ok 12903 # correct SSSR count
205: ok 12904 # ring membership passed
205: ok 12905 # correct ring bond data
205: ok 12906 # correct ring bond data
205: ok 12907 # correct ring bond data
205: ok 12908 # correct ring bond data
205: ok 12909 # correct ring bond data
205: ok 12910 # correct ring bond data
205: ok 12911 # correct ring bond data
205: ok 12912 # correct ring bond data
205: ok 12913 # correct ring bond data
205: ok 12914 # SSSR size matches reference
205: ok 12915 # correct SSSR count
205: ok 12916 # ring membership passed
205: ok 12917 # correct SSSR count
205: ok 12918 # ring membership passed
205: ok 12919 # correct SSSR count
205: ok 12920 # ring membership passed
205: ok 12921 # correct SSSR count
205: ok 12922 # ring membership passed
205: ok 12923 # correct SSSR count
205: ok 12924 # ring membership passed
205: ok 12925 # correct SSSR count
205: ok 12926 # ring membership passed
205: ok 12927 # correct SSSR count
205: ok 12928 # ring membership passed
205: ok 12929 # correct SSSR count
205: ok 12930 # ring membership passed
205: ok 12931 # correct SSSR count
205: ok 12932 # ring membership passed
205: ok 12933 # correct SSSR count
205: ok 12934 # ring membership passed
205: ok 12935 # correct ring bond data
205: ok 12936 # correct ring bond data
205: ok 12937 # correct ring bond data
205: ok 12938 # correct ring bond data
205: ok 12939 # correct ring bond data
205: ok 12940 # correct ring bond data
205: ok 12941 # correct ring bond data
205: ok 12942 # correct ring bond data
205: ok 12943 # correct ring bond data
205: ok 12944 # correct ring bond data
205: ok 12945 # correct ring bond data
205: ok 12946 # correct ring bond data
205: ok 12947 # SSSR size matches reference
205: ok 12948 # correct SSSR count
205: ok 12949 # ring membership passed
205: ok 12950 # correct SSSR count
205: ok 12951 # ring membership passed
205: ok 12952 # correct SSSR count
205: ok 12953 # ring membership passed
205: ok 12954 # correct SSSR count
205: ok 12955 # ring membership passed
205: ok 12956 # correct SSSR count
205: ok 12957 # ring membership passed
205: ok 12958 # correct SSSR count
205: ok 12959 # ring membership passed
205: ok 12960 # correct SSSR count
205: ok 12961 # ring membership passed
205: ok 12962 # correct SSSR count
205: ok 12963 # ring membership passed
205: ok 12964 # correct SSSR count
205: ok 12965 # ring membership passed
205: ok 12966 # correct SSSR count
205: ok 12967 # ring membership passed
205: ok 12968 # correct SSSR count
205: ok 12969 # ring membership passed
205: ok 12970 # correct SSSR count
205: ok 12971 # ring membership passed
205: ok 12972 # correct SSSR count
205: ok 12973 # ring membership passed
205: ok 12974 # correct ring bond data
205: ok 12975 # correct ring bond data
205: ok 12976 # correct ring bond data
205: ok 12977 # correct ring bond data
205: ok 12978 # correct ring bond data
205: ok 12979 # correct ring bond data
205: ok 12980 # correct ring bond data
205: ok 12981 # correct ring bond data
205: ok 12982 # correct ring bond data
205: ok 12983 # correct ring bond data
205: ok 12984 # correct ring bond data
205: ok 12985 # correct ring bond data
205: ok 12986 # correct ring bond data
205: ok 12987 # correct ring bond data
205: ok 12988 # correct ring bond data
205: ok 12989 # correct ring bond data
205: ok 12990 # correct ring bond data
205: ok 12991 # correct ring bond data
205: ok 12992 # correct ring bond data
205: ok 12993 # correct ring bond data
205: ok 12994 # correct ring bond data
205: ok 12995 # correct ring bond data
205: ok 12996 # correct ring bond data
205: ok 12997 # SSSR size matches reference
205: ok 12998 # correct SSSR count
205: ok 12999 # ring membership passed
205: ok 13000 # correct SSSR count
205: ok 13001 # ring membership passed
205: ok 13002 # correct SSSR count
205: ok 13003 # ring membership passed
205: ok 13004 # correct SSSR count
205: ok 13005 # ring membership passed
205: ok 13006 # correct SSSR count
205: ok 13007 # ring membership passed
205: ok 13008 # correct SSSR count
205: ok 13009 # ring membership passed
205: ok 13010 # correct SSSR count
205: ok 13011 # ring membership passed
205: ok 13012 # correct SSSR count
205: ok 13013 # ring membership passed
205: ok 13014 # correct SSSR count
205: ok 13015 # ring membership passed
205: ok 13016 # correct SSSR count
205: ok 13017 # ring membership passed
205: ok 13018 # correct SSSR count
205: ok 13019 # ring membership passed
205: ok 13020 # correct SSSR count
205: ok 13021 # ring membership passed
205: ok 13022 # correct SSSR count
205: ok 13023 # ring membership passed
205: ok 13024 # correct SSSR count
205: ok 13025 # ring membership passed
205: ok 13026 # correct SSSR count
205: ok 13027 # ring membership passed
205: ok 13028 # correct SSSR count
205: ok 13029 # ring membership passed
205: ok 13030 # correct SSSR count
205: ok 13031 # ring membership passed
205: ok 13032 # correct SSSR count
205: ok 13033 # ring membership passed
205: ok 13034 # correct SSSR count
205: ok 13035 # ring membership passed
205: ok 13036 # correct SSSR count
205: ok 13037 # ring membership passed
205: ok 13038 # correct SSSR count
205: ok 13039 # ring membership passed
205: ok 13040 # correct ring bond data
205: ok 13041 # correct ring bond data
205: ok 13042 # correct ring bond data
205: ok 13043 # correct ring bond data
205: ok 13044 # correct ring bond data
205: ok 13045 # correct ring bond data
205: ok 13046 # correct ring bond data
205: ok 13047 # correct ring bond data
205: ok 13048 # correct ring bond data
205: ok 13049 # correct ring bond data
205: ok 13050 # correct ring bond data
205: ok 13051 # correct ring bond data
205: ok 13052 # SSSR size matches reference
205: ok 13053 # correct SSSR count
205: ok 13054 # ring membership passed
205: ok 13055 # correct SSSR count
205: ok 13056 # ring membership passed
205: ok 13057 # correct SSSR count
205: ok 13058 # ring membership passed
205: ok 13059 # correct SSSR count
205: ok 13060 # ring membership passed
205: ok 13061 # correct SSSR count
205: ok 13062 # ring membership passed
205: ok 13063 # correct SSSR count
205: ok 13064 # ring membership passed
205: ok 13065 # correct SSSR count
205: ok 13066 # ring membership passed
205: ok 13067 # correct SSSR count
205: ok 13068 # ring membership passed
205: ok 13069 # correct SSSR count
205: ok 13070 # ring membership passed
205: ok 13071 # correct SSSR count
205: ok 13072 # ring membership passed
205: ok 13073 # correct SSSR count
205: ok 13074 # ring membership passed
205: ok 13075 # correct SSSR count
205: ok 13076 # ring membership passed
205: ok 13077 # correct ring bond data
205: ok 13078 # correct ring bond data
205: ok 13079 # correct ring bond data
205: ok 13080 # correct ring bond data
205: ok 13081 # correct ring bond data
205: ok 13082 # correct ring bond data
205: ok 13083 # correct ring bond data
205: ok 13084 # correct ring bond data
205: ok 13085 # correct ring bond data
205: ok 13086 # correct ring bond data
205: ok 13087 # correct ring bond data
205: ok 13088 # correct ring bond data
205: ok 13089 # correct ring bond data
205: ok 13090 # correct ring bond data
205: ok 13091 # correct ring bond data
205: ok 13092 # correct ring bond data
205: ok 13093 # correct ring bond data
205: ok 13094 # correct ring bond data
205: ok 13095 # correct ring bond data
205: ok 13096 # correct ring bond data
205: ok 13097 # correct ring bond data
205: ok 13098 # correct ring bond data
205: ok 13099 # SSSR size matches reference
205: ok 13100 # correct SSSR count
205: ok 13101 # ring membership passed
205: ok 13102 # correct SSSR count
205: ok 13103 # ring membership passed
205: ok 13104 # correct SSSR count
205: ok 13105 # ring membership passed
205: ok 13106 # correct SSSR count
205: ok 13107 # ring membership passed
205: ok 13108 # correct SSSR count
205: ok 13109 # ring membership passed
205: ok 13110 # correct SSSR count
205: ok 13111 # ring membership passed
205: ok 13112 # correct SSSR count
205: ok 13113 # ring membership passed
205: ok 13114 # correct SSSR count
205: ok 13115 # ring membership passed
205: ok 13116 # correct SSSR count
205: ok 13117 # ring membership passed
205: ok 13118 # correct SSSR count
205: ok 13119 # ring membership passed
205: ok 13120 # correct SSSR count
205: ok 13121 # ring membership passed
205: ok 13122 # correct SSSR count
205: ok 13123 # ring membership passed
205: ok 13124 # correct SSSR count
205: ok 13125 # ring membership passed
205: ok 13126 # correct SSSR count
205: ok 13127 # ring membership passed
205: ok 13128 # correct SSSR count
205: ok 13129 # ring membership passed
205: ok 13130 # correct SSSR count
205: ok 13131 # ring membership passed
205: ok 13132 # correct SSSR count
205: ok 13133 # ring membership passed
205: ok 13134 # correct SSSR count
205: ok 13135 # ring membership passed
205: ok 13136 # correct SSSR count
205: ok 13137 # ring membership passed
205: ok 13138 # correct ring bond data
205: ok 13139 # correct ring bond data
205: ok 13140 # correct ring bond data
205: ok 13141 # correct ring bond data
205: ok 13142 # correct ring bond data
205: ok 13143 # correct ring bond data
205: ok 13144 # correct ring bond data
205: ok 13145 # correct ring bond data
205: ok 13146 # correct ring bond data
205: ok 13147 # correct ring bond data
205: ok 13148 # SSSR size matches reference
205: ok 13149 # correct SSSR count
205: ok 13150 # ring membership passed
205: ok 13151 # correct SSSR count
205: ok 13152 # ring membership passed
205: ok 13153 # correct SSSR count
205: ok 13154 # ring membership passed
205: ok 13155 # correct SSSR count
205: ok 13156 # ring membership passed
205: ok 13157 # correct SSSR count
205: ok 13158 # ring membership passed
205: ok 13159 # correct SSSR count
205: ok 13160 # ring membership passed
205: ok 13161 # correct SSSR count
205: ok 13162 # ring membership passed
205: ok 13163 # correct SSSR count
205: ok 13164 # ring membership passed
205: ok 13165 # correct SSSR count
205: ok 13166 # ring membership passed
205: ok 13167 # correct SSSR count
205: ok 13168 # ring membership passed
205: ok 13169 # correct ring bond data
205: ok 13170 # correct ring bond data
205: ok 13171 # correct ring bond data
205: ok 13172 # correct ring bond data
205: ok 13173 # correct ring bond data
205: ok 13174 # correct ring bond data
205: ok 13175 # correct ring bond data
205: ok 13176 # correct ring bond data
205: ok 13177 # correct ring bond data
205: ok 13178 # correct ring bond data
205: ok 13179 # correct ring bond data
205: ok 13180 # correct ring bond data
205: ok 13181 # correct ring bond data
205: ok 13182 # correct ring bond data
205: ok 13183 # correct ring bond data
205: ok 13184 # correct ring bond data
205: ok 13185 # correct ring bond data
205: ok 13186 # correct ring bond data
205: ok 13187 # correct ring bond data
205: ok 13188 # correct ring bond data
205: ok 13189 # correct ring bond data
205: ok 13190 # correct ring bond data
205: ok 13191 # correct ring bond data
205: ok 13192 # correct ring bond data
205: ok 13193 # correct ring bond data
205: ok 13194 # correct ring bond data
205: ok 13195 # correct ring bond data
205: ok 13196 # correct ring bond data
205: ok 13197 # correct ring bond data
205: ok 13198 # correct ring bond data
205: ok 13199 # correct ring bond data
205: ok 13200 # correct ring bond data
205: ok 13201 # correct ring bond data
205: ok 13202 # correct ring bond data
205: ok 13203 # correct ring bond data
205: ok 13204 # correct ring bond data
205: ok 13205 # correct ring bond data
205: ok 13206 # correct ring bond data
205: ok 13207 # correct ring bond data
205: ok 13208 # correct ring bond data
205: ok 13209 # correct ring bond data
205: ok 13210 # correct ring bond data
205: ok 13211 # correct ring bond data
205: ok 13212 # correct ring bond data
205: ok 13213 # correct ring bond data
205: ok 13214 # correct ring bond data
205: ok 13215 # correct ring bond data
205: ok 13216 # correct ring bond data
205: ok 13217 # correct ring bond data
205: ok 13218 # correct ring bond data
205: ok 13219 # correct ring bond data
205: ok 13220 # correct ring bond data
205: ok 13221 # correct ring bond data
205: ok 13222 # correct ring bond data
205: ok 13223 # correct ring bond data
205: ok 13224 # correct ring bond data
205: ok 13225 # SSSR size matches reference
205: ok 13226 # correct SSSR count
205: ok 13227 # ring membership passed
205: ok 13228 # correct SSSR count
205: ok 13229 # ring membership passed
205: ok 13230 # correct SSSR count
205: ok 13231 # ring membership passed
205: ok 13232 # correct SSSR count
205: ok 13233 # ring membership passed
205: ok 13234 # correct SSSR count
205: ok 13235 # ring membership passed
205: ok 13236 # correct SSSR count
205: ok 13237 # ring membership passed
205: ok 13238 # correct SSSR count
205: ok 13239 # ring membership passed
205: ok 13240 # correct SSSR count
205: ok 13241 # ring membership passed
205: ok 13242 # correct SSSR count
205: ok 13243 # ring membership passed
205: ok 13244 # correct SSSR count
205: ok 13245 # ring membership passed
205: ok 13246 # correct SSSR count
205: ok 13247 # ring membership passed
205: ok 13248 # correct SSSR count
205: ok 13249 # ring membership passed
205: ok 13250 # correct SSSR count
205: ok 13251 # ring membership passed
205: ok 13252 # correct SSSR count
205: ok 13253 # ring membership passed
205: ok 13254 # correct SSSR count
205: ok 13255 # ring membership passed
205: ok 13256 # correct SSSR count
205: ok 13257 # ring membership passed
205: ok 13258 # correct SSSR count
205: ok 13259 # ring membership passed
205: ok 13260 # correct SSSR count
205: ok 13261 # ring membership passed
205: ok 13262 # correct SSSR count
205: ok 13263 # ring membership passed
205: ok 13264 # correct SSSR count
205: ok 13265 # ring membership passed
205: ok 13266 # correct SSSR count
205: ok 13267 # ring membership passed
205: ok 13268 # correct SSSR count
205: ok 13269 # ring membership passed
205: ok 13270 # correct SSSR count
205: ok 13271 # ring membership passed
205: ok 13272 # correct SSSR count
205: ok 13273 # ring membership passed
205: ok 13274 # correct SSSR count
205: ok 13275 # ring membership passed
205: ok 13276 # correct SSSR count
205: ok 13277 # ring membership passed
205: ok 13278 # correct SSSR count
205: ok 13279 # ring membership passed
205: ok 13280 # correct SSSR count
205: ok 13281 # ring membership passed
205: ok 13282 # correct SSSR count
205: ok 13283 # ring membership passed
205: ok 13284 # correct SSSR count
205: ok 13285 # ring membership passed
205: ok 13286 # correct SSSR count
205: ok 13287 # ring membership passed
205: ok 13288 # correct SSSR count
205: ok 13289 # ring membership passed
205: ok 13290 # correct SSSR count
205: ok 13291 # ring membership passed
205: ok 13292 # correct SSSR count
205: ok 13293 # ring membership passed
205: ok 13294 # correct SSSR count
205: ok 13295 # ring membership passed
205: ok 13296 # correct SSSR count
205: ok 13297 # ring membership passed
205: ok 13298 # correct SSSR count
205: ok 13299 # ring membership passed
205: ok 13300 # correct SSSR count
205: ok 13301 # ring membership passed
205: ok 13302 # correct SSSR count
205: ok 13303 # ring membership passed
205: ok 13304 # correct SSSR count
205: ok 13305 # ring membership passed
205: ok 13306 # correct SSSR count
205: ok 13307 # ring membership passed
205: ok 13308 # correct SSSR count
205: ok 13309 # ring membership passed
205: ok 13310 # correct SSSR count
205: ok 13311 # ring membership passed
205: ok 13312 # correct SSSR count
205: ok 13313 # ring membership passed
205: ok 13314 # correct SSSR count
205: ok 13315 # ring membership passed
205: ok 13316 # correct SSSR count
205: ok 13317 # ring membership passed
205: ok 13318 # correct SSSR count
205: ok 13319 # ring membership passed
205: ok 13320 # correct SSSR count
205: ok 13321 # ring membership passed
205: ok 13322 # correct SSSR count
205: ok 13323 # ring membership passed
205: ok 13324 # correct SSSR count
205: ok 13325 # ring membership passed
205: ok 13326 # correct SSSR count
205: ok 13327 # ring membership passed
205: ok 13328 # correct ring bond data
205: ok 13329 # correct ring bond data
205: ok 13330 # correct ring bond data
205: ok 13331 # correct ring bond data
205: ok 13332 # correct ring bond data
205: ok 13333 # correct ring bond data
205: ok 13334 # correct ring bond data
205: ok 13335 # correct ring bond data
205: ok 13336 # correct ring bond data
205: ok 13337 # correct ring bond data
205: ok 13338 # SSSR size matches reference
205: ok 13339 # correct SSSR count
205: ok 13340 # ring membership passed
205: ok 13341 # correct SSSR count
205: ok 13342 # ring membership passed
205: ok 13343 # correct SSSR count
205: ok 13344 # ring membership passed
205: ok 13345 # correct SSSR count
205: ok 13346 # ring membership passed
205: ok 13347 # correct SSSR count
205: ok 13348 # ring membership passed
205: ok 13349 # correct SSSR count
205: ok 13350 # ring membership passed
205: ok 13351 # correct SSSR count
205: ok 13352 # ring membership passed
205: ok 13353 # correct SSSR count
205: ok 13354 # ring membership passed
205: ok 13355 # correct SSSR count
205: ok 13356 # ring membership passed
205: ok 13357 # correct SSSR count
205: ok 13358 # ring membership passed
205: ok 13359 # correct ring bond data
205: ok 13360 # correct ring bond data
205: ok 13361 # correct ring bond data
205: ok 13362 # correct ring bond data
205: ok 13363 # correct ring bond data
205: ok 13364 # correct ring bond data
205: ok 13365 # correct ring bond data
205: ok 13366 # correct ring bond data
205: ok 13367 # correct ring bond data
205: ok 13368 # correct ring bond data
205: ok 13369 # correct ring bond data
205: ok 13370 # correct ring bond data
205: ok 13371 # correct ring bond data
205: ok 13372 # correct ring bond data
205: ok 13373 # correct ring bond data
205: ok 13374 # correct ring bond data
205: ok 13375 # correct ring bond data
205: ok 13376 # correct ring bond data
205: ok 13377 # correct ring bond data
205: ok 13378 # correct ring bond data
205: ok 13379 # correct ring bond data
205: ok 13380 # correct ring bond data
205: ok 13381 # correct ring bond data
205: ok 13382 # correct ring bond data
205: ok 13383 # correct ring bond data
205: ok 13384 # correct ring bond data
205: ok 13385 # correct ring bond data
205: ok 13386 # correct ring bond data
205: ok 13387 # correct ring bond data
205: ok 13388 # correct ring bond data
205: ok 13389 # correct ring bond data
205: ok 13390 # correct ring bond data
205: ok 13391 # correct ring bond data
205: ok 13392 # correct ring bond data
205: ok 13393 # correct ring bond data
205: ok 13394 # correct ring bond data
205: ok 13395 # correct ring bond data
205: ok 13396 # correct ring bond data
205: ok 13397 # correct ring bond data
205: ok 13398 # correct ring bond data
205: ok 13399 # correct ring bond data
205: ok 13400 # correct ring bond data
205: ok 13401 # correct ring bond data
205: ok 13402 # correct ring bond data
205: ok 13403 # SSSR size matches reference
205: ok 13404 # correct SSSR count
205: ok 13405 # ring membership passed
205: ok 13406 # correct SSSR count
205: ok 13407 # ring membership passed
205: ok 13408 # correct SSSR count
205: ok 13409 # ring membership passed
205: ok 13410 # correct SSSR count
205: ok 13411 # ring membership passed
205: ok 13412 # correct SSSR count
205: ok 13413 # ring membership passed
205: ok 13414 # correct SSSR count
205: ok 13415 # ring membership passed
205: ok 13416 # correct SSSR count
205: ok 13417 # ring membership passed
205: ok 13418 # correct SSSR count
205: ok 13419 # ring membership passed
205: ok 13420 # correct SSSR count
205: ok 13421 # ring membership passed
205: ok 13422 # correct SSSR count
205: ok 13423 # ring membership passed
205: ok 13424 # correct SSSR count
205: ok 13425 # ring membership passed
205: ok 13426 # correct SSSR count
205: ok 13427 # ring membership passed
205: ok 13428 # correct SSSR count
205: ok 13429 # ring membership passed
205: ok 13430 # correct SSSR count
205: ok 13431 # ring membership passed
205: ok 13432 # correct SSSR count
205: ok 13433 # ring membership passed
205: ok 13434 # correct SSSR count
205: ok 13435 # ring membership passed
205: ok 13436 # correct SSSR count
205: ok 13437 # ring membership passed
205: ok 13438 # correct SSSR count
205: ok 13439 # ring membership passed
205: ok 13440 # correct SSSR count
205: ok 13441 # ring membership passed
205: ok 13442 # correct SSSR count
205: ok 13443 # ring membership passed
205: ok 13444 # correct SSSR count
205: ok 13445 # ring membership passed
205: ok 13446 # correct SSSR count
205: ok 13447 # ring membership passed
205: ok 13448 # correct SSSR count
205: ok 13449 # ring membership passed
205: ok 13450 # correct SSSR count
205: ok 13451 # ring membership passed
205: ok 13452 # correct SSSR count
205: ok 13453 # ring membership passed
205: ok 13454 # correct SSSR count
205: ok 13455 # ring membership passed
205: ok 13456 # correct SSSR count
205: ok 13457 # ring membership passed
205: ok 13458 # correct SSSR count
205: ok 13459 # ring membership passed
205: ok 13460 # correct SSSR count
205: ok 13461 # ring membership passed
205: ok 13462 # correct SSSR count
205: ok 13463 # ring membership passed
205: ok 13464 # correct SSSR count
205: ok 13465 # ring membership passed
205: ok 13466 # correct SSSR count
205: ok 13467 # ring membership passed
205: ok 13468 # correct SSSR count
205: ok 13469 # ring membership passed
205: ok 13470 # correct SSSR count
205: ok 13471 # ring membership passed
205: ok 13472 # correct SSSR count
205: ok 13473 # ring membership passed
205: ok 13474 # correct SSSR count
205: ok 13475 # ring membership passed
205: ok 13476 # correct SSSR count
205: ok 13477 # ring membership passed
205: ok 13478 # correct SSSR count
205: ok 13479 # ring membership passed
205: ok 13480 # correct SSSR count
205: ok 13481 # ring membership passed
205: ok 13482 # correct SSSR count
205: ok 13483 # ring membership passed
205: ok 13484 # correct SSSR count
205: ok 13485 # ring membership passed
205: ok 13486 # correct ring bond data
205: ok 13487 # correct ring bond data
205: ok 13488 # correct ring bond data
205: ok 13489 # correct ring bond data
205: ok 13490 # correct ring bond data
205: ok 13491 # correct ring bond data
205: ok 13492 # correct ring bond data
205: ok 13493 # correct ring bond data
205: ok 13494 # correct ring bond data
205: ok 13495 # correct ring bond data
205: ok 13496 # correct ring bond data
205: ok 13497 # correct ring bond data
205: ok 13498 # correct ring bond data
205: ok 13499 # correct ring bond data
205: ok 13500 # correct ring bond data
205: ok 13501 # correct ring bond data
205: ok 13502 # correct ring bond data
205: ok 13503 # correct ring bond data
205: ok 13504 # correct ring bond data
205: ok 13505 # correct ring bond data
205: ok 13506 # correct ring bond data
205: ok 13507 # correct ring bond data
205: ok 13508 # correct ring bond data
205: ok 13509 # correct ring bond data
205: ok 13510 # correct ring bond data
205: ok 13511 # correct ring bond data
205: ok 13512 # correct ring bond data
205: ok 13513 # correct ring bond data
205: ok 13514 # correct ring bond data
205: ok 13515 # correct ring bond data
205: ok 13516 # correct ring bond data
205: ok 13517 # correct ring bond data
205: ok 13518 # correct ring bond data
205: ok 13519 # correct ring bond data
205: ok 13520 # correct ring bond data
205: ok 13521 # correct ring bond data
205: ok 13522 # correct ring bond data
205: ok 13523 # correct ring bond data
205: ok 13524 # SSSR size matches reference
205: ok 13525 # correct SSSR count
205: ok 13526 # ring membership passed
205: ok 13527 # correct SSSR count
205: ok 13528 # ring membership passed
205: ok 13529 # correct SSSR count
205: ok 13530 # ring membership passed
205: ok 13531 # correct SSSR count
205: ok 13532 # ring membership passed
205: ok 13533 # correct SSSR count
205: ok 13534 # ring membership passed
205: ok 13535 # correct SSSR count
205: ok 13536 # ring membership passed
205: ok 13537 # correct SSSR count
205: ok 13538 # ring membership passed
205: ok 13539 # correct SSSR count
205: ok 13540 # ring membership passed
205: ok 13541 # correct SSSR count
205: ok 13542 # ring membership passed
205: ok 13543 # correct SSSR count
205: ok 13544 # ring membership passed
205: ok 13545 # correct SSSR count
205: ok 13546 # ring membership passed
205: ok 13547 # correct SSSR count
205: ok 13548 # ring membership passed
205: ok 13549 # correct SSSR count
205: ok 13550 # ring membership passed
205: ok 13551 # correct SSSR count
205: ok 13552 # ring membership passed
205: ok 13553 # correct SSSR count
205: ok 13554 # ring membership passed
205: ok 13555 # correct SSSR count
205: ok 13556 # ring membership passed
205: ok 13557 # correct SSSR count
205: ok 13558 # ring membership passed
205: ok 13559 # correct SSSR count
205: ok 13560 # ring membership passed
205: ok 13561 # correct SSSR count
205: ok 13562 # ring membership passed
205: ok 13563 # correct SSSR count
205: ok 13564 # ring membership passed
205: ok 13565 # correct SSSR count
205: ok 13566 # ring membership passed
205: ok 13567 # correct SSSR count
205: ok 13568 # ring membership passed
205: ok 13569 # correct SSSR count
205: ok 13570 # ring membership passed
205: ok 13571 # correct SSSR count
205: ok 13572 # ring membership passed
205: ok 13573 # correct SSSR count
205: ok 13574 # ring membership passed
205: ok 13575 # correct SSSR count
205: ok 13576 # ring membership passed
205: ok 13577 # correct SSSR count
205: ok 13578 # ring membership passed
205: ok 13579 # correct SSSR count
205: ok 13580 # ring membership passed
205: ok 13581 # correct SSSR count
205: ok 13582 # ring membership passed
205: ok 13583 # correct SSSR count
205: ok 13584 # ring membership passed
205: ok 13585 # correct SSSR count
205: ok 13586 # ring membership passed
205: ok 13587 # correct SSSR count
205: ok 13588 # ring membership passed
205: ok 13589 # correct SSSR count
205: ok 13590 # ring membership passed
205: ok 13591 # correct SSSR count
205: ok 13592 # ring membership passed
205: ok 13593 # correct SSSR count
205: ok 13594 # ring membership passed
205: ok 13595 # correct SSSR count
205: ok 13596 # ring membership passed
205: ok 13597 # correct ring bond data
205: ok 13598 # correct ring bond data
205: ok 13599 # correct ring bond data
205: ok 13600 # correct ring bond data
205: ok 13601 # correct ring bond data
205: ok 13602 # correct ring bond data
205: ok 13603 # correct ring bond data
205: ok 13604 # correct ring bond data
205: ok 13605 # correct ring bond data
205: ok 13606 # correct ring bond data
205: ok 13607 # correct ring bond data
205: ok 13608 # correct ring bond data
205: ok 13609 # correct ring bond data
205: ok 13610 # correct ring bond data
205: ok 13611 # correct ring bond data
205: ok 13612 # correct ring bond data
205: ok 13613 # correct ring bond data
205: ok 13614 # correct ring bond data
205: ok 13615 # correct ring bond data
205: ok 13616 # correct ring bond data
205: ok 13617 # correct ring bond data
205: ok 13618 # correct ring bond data
205: ok 13619 # correct ring bond data
205: ok 13620 # correct ring bond data
205: ok 13621 # correct ring bond data
205: ok 13622 # correct ring bond data
205: ok 13623 # correct ring bond data
205: ok 13624 # correct ring bond data
205: ok 13625 # correct ring bond data
205: ok 13626 # correct ring bond data
205: ok 13627 # correct ring bond data
205: ok 13628 # correct ring bond data
205: ok 13629 # correct ring bond data
205: ok 13630 # correct ring bond data
205: ok 13631 # correct ring bond data
205: ok 13632 # correct ring bond data
205: ok 13633 # correct ring bond data
205: ok 13634 # correct ring bond data
205: ok 13635 # correct ring bond data
205: ok 13636 # correct ring bond data
205: ok 13637 # correct ring bond data
205: ok 13638 # correct ring bond data
205: ok 13639 # correct ring bond data
205: ok 13640 # correct ring bond data
205: ok 13641 # SSSR size matches reference
205: ok 13642 # correct SSSR count
205: ok 13643 # ring membership passed
205: ok 13644 # correct SSSR count
205: ok 13645 # ring membership passed
205: ok 13646 # correct SSSR count
205: ok 13647 # ring membership passed
205: ok 13648 # correct SSSR count
205: ok 13649 # ring membership passed
205: ok 13650 # correct SSSR count
205: ok 13651 # ring membership passed
205: ok 13652 # correct SSSR count
205: ok 13653 # ring membership passed
205: ok 13654 # correct SSSR count
205: ok 13655 # ring membership passed
205: ok 13656 # correct SSSR count
205: ok 13657 # ring membership passed
205: ok 13658 # correct SSSR count
205: ok 13659 # ring membership passed
205: ok 13660 # correct SSSR count
205: ok 13661 # ring membership passed
205: ok 13662 # correct SSSR count
205: ok 13663 # ring membership passed
205: ok 13664 # correct SSSR count
205: ok 13665 # ring membership passed
205: ok 13666 # correct SSSR count
205: ok 13667 # ring membership passed
205: ok 13668 # correct SSSR count
205: ok 13669 # ring membership passed
205: ok 13670 # correct SSSR count
205: ok 13671 # ring membership passed
205: ok 13672 # correct SSSR count
205: ok 13673 # ring membership passed
205: ok 13674 # correct SSSR count
205: ok 13675 # ring membership passed
205: ok 13676 # correct SSSR count
205: ok 13677 # ring membership passed
205: ok 13678 # correct SSSR count
205: ok 13679 # ring membership passed
205: ok 13680 # correct SSSR count
205: ok 13681 # ring membership passed
205: ok 13682 # correct SSSR count
205: ok 13683 # ring membership passed
205: ok 13684 # correct SSSR count
205: ok 13685 # ring membership passed
205: ok 13686 # correct SSSR count
205: ok 13687 # ring membership passed
205: ok 13688 # correct SSSR count
205: ok 13689 # ring membership passed
205: ok 13690 # correct SSSR count
205: ok 13691 # ring membership passed
205: ok 13692 # correct SSSR count
205: ok 13693 # ring membership passed
205: ok 13694 # correct SSSR count
205: ok 13695 # ring membership passed
205: ok 13696 # correct SSSR count
205: ok 13697 # ring membership passed
205: ok 13698 # correct SSSR count
205: ok 13699 # ring membership passed
205: ok 13700 # correct SSSR count
205: ok 13701 # ring membership passed
205: ok 13702 # correct SSSR count
205: ok 13703 # ring membership passed
205: ok 13704 # correct SSSR count
205: ok 13705 # ring membership passed
205: ok 13706 # correct SSSR count
205: ok 13707 # ring membership passed
205: ok 13708 # correct SSSR count
205: ok 13709 # ring membership passed
205: ok 13710 # correct SSSR count
205: ok 13711 # ring membership passed
205: ok 13712 # correct SSSR count
205: ok 13713 # ring membership passed
205: ok 13714 # correct SSSR count
205: ok 13715 # ring membership passed
205: ok 13716 # correct SSSR count
205: ok 13717 # ring membership passed
205: ok 13718 # correct SSSR count
205: ok 13719 # ring membership passed
205: ok 13720 # correct SSSR count
205: ok 13721 # ring membership passed
205: ok 13722 # correct ring bond data
205: ok 13723 # correct ring bond data
205: ok 13724 # correct ring bond data
205: ok 13725 # correct ring bond data
205: ok 13726 # correct ring bond data
205: ok 13727 # correct ring bond data
205: ok 13728 # correct ring bond data
205: ok 13729 # SSSR size matches reference
205: ok 13730 # correct SSSR count
205: ok 13731 # ring membership passed
205: ok 13732 # correct SSSR count
205: ok 13733 # ring membership passed
205: ok 13734 # correct SSSR count
205: ok 13735 # ring membership passed
205: ok 13736 # correct SSSR count
205: ok 13737 # ring membership passed
205: ok 13738 # correct SSSR count
205: ok 13739 # ring membership passed
205: ok 13740 # correct SSSR count
205: ok 13741 # ring membership passed
205: ok 13742 # correct SSSR count
205: ok 13743 # ring membership passed
205: ok 13744 # correct SSSR count
205: ok 13745 # ring membership passed
205: ok 13746 # correct ring bond data
205: ok 13747 # correct ring bond data
205: ok 13748 # correct ring bond data
205: ok 13749 # correct ring bond data
205: ok 13750 # correct ring bond data
205: ok 13751 # correct ring bond data
205: ok 13752 # correct ring bond data
205: ok 13753 # correct ring bond data
205: ok 13754 # correct ring bond data
205: ok 13755 # correct ring bond data
205: ok 13756 # correct ring bond data
205: ok 13757 # correct ring bond data
205: ok 13758 # correct ring bond data
205: ok 13759 # correct ring bond data
205: ok 13760 # correct ring bond data
205: ok 13761 # correct ring bond data
205: ok 13762 # correct ring bond data
205: ok 13763 # SSSR size matches reference
205: ok 13764 # correct SSSR count
205: ok 13765 # ring membership passed
205: ok 13766 # correct SSSR count
205: ok 13767 # ring membership passed
205: ok 13768 # correct SSSR count
205: ok 13769 # ring membership passed
205: ok 13770 # correct SSSR count
205: ok 13771 # ring membership passed
205: ok 13772 # correct SSSR count
205: ok 13773 # ring membership passed
205: ok 13774 # correct SSSR count
205: ok 13775 # ring membership passed
205: ok 13776 # correct SSSR count
205: ok 13777 # ring membership passed
205: ok 13778 # correct SSSR count
205: ok 13779 # ring membership passed
205: ok 13780 # correct SSSR count
205: ok 13781 # ring membership passed
205: ok 13782 # correct SSSR count
205: ok 13783 # ring membership passed
205: ok 13784 # correct SSSR count
205: ok 13785 # ring membership passed
205: ok 13786 # correct SSSR count
205: ok 13787 # ring membership passed
205: ok 13788 # correct SSSR count
205: ok 13789 # ring membership passed
205: ok 13790 # correct SSSR count
205: ok 13791 # ring membership passed
205: ok 13792 # correct SSSR count
205: ok 13793 # ring membership passed
205: ok 13794 # correct SSSR count
205: ok 13795 # ring membership passed
205: ok 13796 # correct ring bond data
205: ok 13797 # correct ring bond data
205: ok 13798 # correct ring bond data
205: ok 13799 # correct ring bond data
205: ok 13800 # correct ring bond data
205: ok 13801 # correct ring bond data
205: ok 13802 # correct ring bond data
205: ok 13803 # correct ring bond data
205: ok 13804 # correct ring bond data
205: ok 13805 # correct ring bond data
205: ok 13806 # SSSR size matches reference
205: ok 13807 # correct SSSR count
205: ok 13808 # ring membership passed
205: ok 13809 # correct SSSR count
205: ok 13810 # ring membership passed
205: ok 13811 # correct SSSR count
205: ok 13812 # ring membership passed
205: ok 13813 # correct SSSR count
205: ok 13814 # ring membership passed
205: ok 13815 # correct SSSR count
205: ok 13816 # ring membership passed
205: ok 13817 # correct SSSR count
205: ok 13818 # ring membership passed
205: ok 13819 # correct SSSR count
205: ok 13820 # ring membership passed
205: ok 13821 # correct SSSR count
205: ok 13822 # ring membership passed
205: ok 13823 # correct SSSR count
205: ok 13824 # ring membership passed
205: ok 13825 # correct SSSR count
205: ok 13826 # ring membership passed
205: ok 13827 # correct ring bond data
205: ok 13828 # correct ring bond data
205: ok 13829 # correct ring bond data
205: ok 13830 # correct ring bond data
205: ok 13831 # correct ring bond data
205: ok 13832 # correct ring bond data
205: ok 13833 # correct ring bond data
205: ok 13834 # correct ring bond data
205: ok 13835 # correct ring bond data
205: ok 13836 # correct ring bond data
205: ok 13837 # correct ring bond data
205: ok 13838 # correct ring bond data
205: ok 13839 # correct ring bond data
205: ok 13840 # correct ring bond data
205: ok 13841 # correct ring bond data
205: ok 13842 # correct ring bond data
205: ok 13843 # correct ring bond data
205: ok 13844 # SSSR size matches reference
205: ok 13845 # correct SSSR count
205: ok 13846 # ring membership passed
205: ok 13847 # correct SSSR count
205: ok 13848 # ring membership passed
205: ok 13849 # correct SSSR count
205: ok 13850 # ring membership passed
205: ok 13851 # correct SSSR count
205: ok 13852 # ring membership passed
205: ok 13853 # correct SSSR count
205: ok 13854 # ring membership passed
205: ok 13855 # correct SSSR count
205: ok 13856 # ring membership passed
205: ok 13857 # correct SSSR count
205: ok 13858 # ring membership passed
205: ok 13859 # correct SSSR count
205: ok 13860 # ring membership passed
205: ok 13861 # correct SSSR count
205: ok 13862 # ring membership passed
205: ok 13863 # correct SSSR count
205: ok 13864 # ring membership passed
205: ok 13865 # correct SSSR count
205: ok 13866 # ring membership passed
205: ok 13867 # correct SSSR count
205: ok 13868 # ring membership passed
205: ok 13869 # correct SSSR count
205: ok 13870 # ring membership passed
205: ok 13871 # correct SSSR count
205: ok 13872 # ring membership passed
205: ok 13873 # correct SSSR count
205: ok 13874 # ring membership passed
205: ok 13875 # correct SSSR count
205: ok 13876 # ring membership passed
205: ok 13877 # correct ring bond data
205: ok 13878 # correct ring bond data
205: ok 13879 # correct ring bond data
205: ok 13880 # correct ring bond data
205: ok 13881 # correct ring bond data
205: ok 13882 # correct ring bond data
205: ok 13883 # correct ring bond data
205: ok 13884 # correct ring bond data
205: ok 13885 # correct ring bond data
205: ok 13886 # correct ring bond data
205: ok 13887 # correct ring bond data
205: ok 13888 # correct ring bond data
205: ok 13889 # correct ring bond data
205: ok 13890 # correct ring bond data
205: ok 13891 # correct ring bond data
205: ok 13892 # correct ring bond data
205: ok 13893 # correct ring bond data
205: ok 13894 # correct ring bond data
205: ok 13895 # correct ring bond data
205: ok 13896 # correct ring bond data
205: ok 13897 # correct ring bond data
205: ok 13898 # SSSR size matches reference
205: ok 13899 # correct SSSR count
205: ok 13900 # ring membership passed
205: ok 13901 # correct SSSR count
205: ok 13902 # ring membership passed
205: ok 13903 # correct SSSR count
205: ok 13904 # ring membership passed
205: ok 13905 # correct SSSR count
205: ok 13906 # ring membership passed
205: ok 13907 # correct SSSR count
205: ok 13908 # ring membership passed
205: ok 13909 # correct SSSR count
205: ok 13910 # ring membership passed
205: ok 13911 # correct SSSR count
205: ok 13912 # ring membership passed
205: ok 13913 # correct SSSR count
205: ok 13914 # ring membership passed
205: ok 13915 # correct SSSR count
205: ok 13916 # ring membership passed
205: ok 13917 # correct SSSR count
205: ok 13918 # ring membership passed
205: ok 13919 # correct SSSR count
205: ok 13920 # ring membership passed
205: ok 13921 # correct SSSR count
205: ok 13922 # ring membership passed
205: ok 13923 # correct SSSR count
205: ok 13924 # ring membership passed
205: ok 13925 # correct SSSR count
205: ok 13926 # ring membership passed
205: ok 13927 # correct SSSR count
205: ok 13928 # ring membership passed
205: ok 13929 # correct SSSR count
205: ok 13930 # ring membership passed
205: ok 13931 # correct SSSR count
205: ok 13932 # ring membership passed
205: ok 13933 # correct SSSR count
205: ok 13934 # ring membership passed
205: ok 13935 # correct SSSR count
205: ok 13936 # ring membership passed
205: ok 13937 # correct ring bond data
205: ok 13938 # correct ring bond data
205: ok 13939 # correct ring bond data
205: ok 13940 # correct ring bond data
205: ok 13941 # correct ring bond data
205: ok 13942 # correct ring bond data
205: ok 13943 # correct ring bond data
205: ok 13944 # correct ring bond data
205: ok 13945 # correct ring bond data
205: ok 13946 # correct ring bond data
205: ok 13947 # correct ring bond data
205: ok 13948 # correct ring bond data
205: ok 13949 # correct ring bond data
205: ok 13950 # correct ring bond data
205: ok 13951 # correct ring bond data
205: ok 13952 # SSSR size matches reference
205: ok 13953 # correct SSSR count
205: ok 13954 # ring membership passed
205: ok 13955 # correct SSSR count
205: ok 13956 # ring membership passed
205: ok 13957 # correct SSSR count
205: ok 13958 # ring membership passed
205: ok 13959 # correct SSSR count
205: ok 13960 # ring membership passed
205: ok 13961 # correct SSSR count
205: ok 13962 # ring membership passed
205: ok 13963 # correct SSSR count
205: ok 13964 # ring membership passed
205: ok 13965 # correct SSSR count
205: ok 13966 # ring membership passed
205: ok 13967 # correct SSSR count
205: ok 13968 # ring membership passed
205: ok 13969 # correct SSSR count
205: ok 13970 # ring membership passed
205: ok 13971 # correct SSSR count
205: ok 13972 # ring membership passed
205: ok 13973 # correct SSSR count
205: ok 13974 # ring membership passed
205: ok 13975 # correct SSSR count
205: ok 13976 # ring membership passed
205: ok 13977 # correct SSSR count
205: ok 13978 # ring membership passed
205: ok 13979 # correct SSSR count
205: ok 13980 # ring membership passed
205: ok 13981 # correct ring bond data
205: ok 13982 # correct ring bond data
205: ok 13983 # correct ring bond data
205: ok 13984 # correct ring bond data
205: ok 13985 # correct ring bond data
205: ok 13986 # correct ring bond data
205: ok 13987 # correct ring bond data
205: ok 13988 # correct ring bond data
205: ok 13989 # correct ring bond data
205: ok 13990 # correct ring bond data
205: ok 13991 # correct ring bond data
205: ok 13992 # SSSR size matches reference
205: ok 13993 # correct SSSR count
205: ok 13994 # ring membership passed
205: ok 13995 # correct SSSR count
205: ok 13996 # ring membership passed
205: ok 13997 # correct SSSR count
205: ok 13998 # ring membership passed
205: ok 13999 # correct SSSR count
205: ok 14000 # ring membership passed
205: ok 14001 # correct SSSR count
205: ok 14002 # ring membership passed
205: ok 14003 # correct SSSR count
205: ok 14004 # ring membership passed
205: ok 14005 # correct SSSR count
205: ok 14006 # ring membership passed
205: ok 14007 # correct SSSR count
205: ok 14008 # ring membership passed
205: ok 14009 # correct SSSR count
205: ok 14010 # ring membership passed
205: ok 14011 # correct SSSR count
205: ok 14012 # ring membership passed
205: ok 14013 # correct SSSR count
205: ok 14014 # ring membership passed
205: ok 14015 # correct ring bond data
205: ok 14016 # correct ring bond data
205: ok 14017 # correct ring bond data
205: ok 14018 # correct ring bond data
205: ok 14019 # correct ring bond data
205: ok 14020 # correct ring bond data
205: ok 14021 # correct ring bond data
205: ok 14022 # correct ring bond data
205: ok 14023 # correct ring bond data
205: ok 14024 # correct ring bond data
205: ok 14025 # correct ring bond data
205: ok 14026 # correct ring bond data
205: ok 14027 # correct ring bond data
205: ok 14028 # correct ring bond data
205: ok 14029 # correct ring bond data
205: ok 14030 # correct ring bond data
205: ok 14031 # correct ring bond data
205: ok 14032 # correct ring bond data
205: ok 14033 # correct ring bond data
205: ok 14034 # correct ring bond data
205: ok 14035 # correct ring bond data
205: ok 14036 # correct ring bond data
205: ok 14037 # SSSR size matches reference
205: ok 14038 # correct SSSR count
205: ok 14039 # ring membership passed
205: ok 14040 # correct SSSR count
205: ok 14041 # ring membership passed
205: ok 14042 # correct SSSR count
205: ok 14043 # ring membership passed
205: ok 14044 # correct SSSR count
205: ok 14045 # ring membership passed
205: ok 14046 # correct SSSR count
205: ok 14047 # ring membership passed
205: ok 14048 # correct SSSR count
205: ok 14049 # ring membership passed
205: ok 14050 # correct SSSR count
205: ok 14051 # ring membership passed
205: ok 14052 # correct SSSR count
205: ok 14053 # ring membership passed
205: ok 14054 # correct SSSR count
205: ok 14055 # ring membership passed
205: ok 14056 # correct SSSR count
205: ok 14057 # ring membership passed
205: ok 14058 # correct SSSR count
205: ok 14059 # ring membership passed
205: ok 14060 # correct SSSR count
205: ok 14061 # ring membership passed
205: ok 14062 # correct SSSR count
205: ok 14063 # ring membership passed
205: ok 14064 # correct SSSR count
205: ok 14065 # ring membership passed
205: ok 14066 # correct SSSR count
205: ok 14067 # ring membership passed
205: ok 14068 # correct SSSR count
205: ok 14069 # ring membership passed
205: ok 14070 # correct SSSR count
205: ok 14071 # ring membership passed
205: ok 14072 # correct SSSR count
205: ok 14073 # ring membership passed
205: ok 14074 # correct SSSR count
205: ok 14075 # ring membership passed
205: ok 14076 # correct ring bond data
205: ok 14077 # correct ring bond data
205: ok 14078 # correct ring bond data
205: ok 14079 # correct ring bond data
205: ok 14080 # correct ring bond data
205: ok 14081 # correct ring bond data
205: ok 14082 # correct ring bond data
205: ok 14083 # correct ring bond data
205: ok 14084 # correct ring bond data
205: ok 14085 # correct ring bond data
205: ok 14086 # correct ring bond data
205: ok 14087 # correct ring bond data
205: ok 14088 # correct ring bond data
205: ok 14089 # correct ring bond data
205: ok 14090 # correct ring bond data
205: ok 14091 # correct ring bond data
205: ok 14092 # correct ring bond data
205: ok 14093 # correct ring bond data
205: ok 14094 # correct ring bond data
205: ok 14095 # correct ring bond data
205: ok 14096 # correct ring bond data
205: ok 14097 # correct ring bond data
205: ok 14098 # correct ring bond data
205: ok 14099 # correct ring bond data
205: ok 14100 # correct ring bond data
205: ok 14101 # correct ring bond data
205: ok 14102 # correct ring bond data
205: ok 14103 # correct ring bond data
205: ok 14104 # correct ring bond data
205: ok 14105 # correct ring bond data
205: ok 14106 # correct ring bond data
205: ok 14107 # SSSR size matches reference
205: ok 14108 # correct SSSR count
205: ok 14109 # ring membership passed
205: ok 14110 # correct SSSR count
205: ok 14111 # ring membership passed
205: ok 14112 # correct SSSR count
205: ok 14113 # ring membership passed
205: ok 14114 # correct SSSR count
205: ok 14115 # ring membership passed
205: ok 14116 # correct SSSR count
205: ok 14117 # ring membership passed
205: ok 14118 # correct SSSR count
205: ok 14119 # ring membership passed
205: ok 14120 # correct SSSR count
205: ok 14121 # ring membership passed
205: ok 14122 # correct SSSR count
205: ok 14123 # ring membership passed
205: ok 14124 # correct SSSR count
205: ok 14125 # ring membership passed
205: ok 14126 # correct SSSR count
205: ok 14127 # ring membership passed
205: ok 14128 # correct SSSR count
205: ok 14129 # ring membership passed
205: ok 14130 # correct SSSR count
205: ok 14131 # ring membership passed
205: ok 14132 # correct SSSR count
205: ok 14133 # ring membership passed
205: ok 14134 # correct SSSR count
205: ok 14135 # ring membership passed
205: ok 14136 # correct SSSR count
205: ok 14137 # ring membership passed
205: ok 14138 # correct SSSR count
205: ok 14139 # ring membership passed
205: ok 14140 # correct SSSR count
205: ok 14141 # ring membership passed
205: ok 14142 # correct SSSR count
205: ok 14143 # ring membership passed
205: ok 14144 # correct SSSR count
205: ok 14145 # ring membership passed
205: ok 14146 # correct SSSR count
205: ok 14147 # ring membership passed
205: ok 14148 # correct SSSR count
205: ok 14149 # ring membership passed
205: ok 14150 # correct SSSR count
205: ok 14151 # ring membership passed
205: ok 14152 # correct SSSR count
205: ok 14153 # ring membership passed
205: ok 14154 # correct SSSR count
205: ok 14155 # ring membership passed
205: ok 14156 # correct SSSR count
205: ok 14157 # ring membership passed
205: ok 14158 # correct SSSR count
205: ok 14159 # ring membership passed
205: ok 14160 # correct SSSR count
205: ok 14161 # ring membership passed
205: ok 14162 # correct SSSR count
205: ok 14163 # ring membership passed
205: ok 14164 # correct ring bond data
205: ok 14165 # correct ring bond data
205: ok 14166 # correct ring bond data
205: ok 14167 # correct ring bond data
205: ok 14168 # correct ring bond data
205: ok 14169 # correct ring bond data
205: ok 14170 # correct ring bond data
205: ok 14171 # correct ring bond data
205: ok 14172 # correct ring bond data
205: ok 14173 # correct ring bond data
205: ok 14174 # correct ring bond data
205: ok 14175 # correct ring bond data
205: ok 14176 # correct ring bond data
205: ok 14177 # correct ring bond data
205: ok 14178 # correct ring bond data
205: ok 14179 # correct ring bond data
205: ok 14180 # correct ring bond data
205: ok 14181 # correct ring bond data
205: ok 14182 # correct ring bond data
205: ok 14183 # correct ring bond data
205: ok 14184 # correct ring bond data
205: ok 14185 # correct ring bond data
205: ok 14186 # correct ring bond data
205: ok 14187 # SSSR size matches reference
205: ok 14188 # correct SSSR count
205: ok 14189 # ring membership passed
205: ok 14190 # correct SSSR count
205: ok 14191 # ring membership passed
205: ok 14192 # correct SSSR count
205: ok 14193 # ring membership passed
205: ok 14194 # correct SSSR count
205: ok 14195 # ring membership passed
205: ok 14196 # correct SSSR count
205: ok 14197 # ring membership passed
205: ok 14198 # correct SSSR count
205: ok 14199 # ring membership passed
205: ok 14200 # correct SSSR count
205: ok 14201 # ring membership passed
205: ok 14202 # correct SSSR count
205: ok 14203 # ring membership passed
205: ok 14204 # correct SSSR count
205: ok 14205 # ring membership passed
205: ok 14206 # correct SSSR count
205: ok 14207 # ring membership passed
205: ok 14208 # correct SSSR count
205: ok 14209 # ring membership passed
205: ok 14210 # correct SSSR count
205: ok 14211 # ring membership passed
205: ok 14212 # correct SSSR count
205: ok 14213 # ring membership passed
205: ok 14214 # correct SSSR count
205: ok 14215 # ring membership passed
205: ok 14216 # correct SSSR count
205: ok 14217 # ring membership passed
205: ok 14218 # correct SSSR count
205: ok 14219 # ring membership passed
205: ok 14220 # correct SSSR count
205: ok 14221 # ring membership passed
205: ok 14222 # correct SSSR count
205: ok 14223 # ring membership passed
205: ok 14224 # correct SSSR count
205: ok 14225 # ring membership passed
205: ok 14226 # correct SSSR count
205: ok 14227 # ring membership passed
205: ok 14228 # correct SSSR count
205: ok 14229 # ring membership passed
205: ok 14230 # correct SSSR count
205: ok 14231 # ring membership passed
205: ok 14232 # correct ring bond data
205: ok 14233 # correct ring bond data
205: ok 14234 # correct ring bond data
205: ok 14235 # correct ring bond data
205: ok 14236 # correct ring bond data
205: ok 14237 # correct ring bond data
205: ok 14238 # correct ring bond data
205: ok 14239 # correct ring bond data
205: ok 14240 # correct ring bond data
205: ok 14241 # correct ring bond data
205: ok 14242 # correct ring bond data
205: ok 14243 # correct ring bond data
205: ok 14244 # correct ring bond data
205: ok 14245 # correct ring bond data
205: ok 14246 # correct ring bond data
205: ok 14247 # correct ring bond data
205: ok 14248 # SSSR size matches reference
205: ok 14249 # correct SSSR count
205: ok 14250 # ring membership passed
205: ok 14251 # correct SSSR count
205: ok 14252 # ring membership passed
205: ok 14253 # correct SSSR count
205: ok 14254 # ring membership passed
205: ok 14255 # correct SSSR count
205: ok 14256 # ring membership passed
205: ok 14257 # correct SSSR count
205: ok 14258 # ring membership passed
205: ok 14259 # correct SSSR count
205: ok 14260 # ring membership passed
205: ok 14261 # correct SSSR count
205: ok 14262 # ring membership passed
205: ok 14263 # correct SSSR count
205: ok 14264 # ring membership passed
205: ok 14265 # correct SSSR count
205: ok 14266 # ring membership passed
205: ok 14267 # correct SSSR count
205: ok 14268 # ring membership passed
205: ok 14269 # correct SSSR count
205: ok 14270 # ring membership passed
205: ok 14271 # correct SSSR count
205: ok 14272 # ring membership passed
205: ok 14273 # correct SSSR count
205: ok 14274 # ring membership passed
205: ok 14275 # correct SSSR count
205: ok 14276 # ring membership passed
205: ok 14277 # correct SSSR count
205: ok 14278 # ring membership passed
205: ok 14279 # correct ring bond data
205: ok 14280 # correct ring bond data
205: ok 14281 # correct ring bond data
205: ok 14282 # correct ring bond data
205: ok 14283 # correct ring bond data
205: ok 14284 # correct ring bond data
205: ok 14285 # correct ring bond data
205: ok 14286 # correct ring bond data
205: ok 14287 # correct ring bond data
205: ok 14288 # correct ring bond data
205: ok 14289 # correct ring bond data
205: ok 14290 # correct ring bond data
205: ok 14291 # correct ring bond data
205: ok 14292 # correct ring bond data
205: ok 14293 # correct ring bond data
205: ok 14294 # correct ring bond data
205: ok 14295 # correct ring bond data
205: ok 14296 # correct ring bond data
205: ok 14297 # correct ring bond data
205: ok 14298 # correct ring bond data
205: ok 14299 # correct ring bond data
205: ok 14300 # correct ring bond data
205: ok 14301 # correct ring bond data
205: ok 14302 # correct ring bond data
205: ok 14303 # correct ring bond data
205: ok 14304 # correct ring bond data
205: ok 14305 # correct ring bond data
205: ok 14306 # correct ring bond data
205: ok 14307 # correct ring bond data
205: ok 14308 # correct ring bond data
205: ok 14309 # correct ring bond data
205: ok 14310 # correct ring bond data
205: ok 14311 # correct ring bond data
205: ok 14312 # correct ring bond data
205: ok 14313 # correct ring bond data
205: ok 14314 # correct ring bond data
205: ok 14315 # correct ring bond data
205: ok 14316 # correct ring bond data
205: ok 14317 # correct ring bond data
205: ok 14318 # correct ring bond data
205: ok 14319 # correct ring bond data
205: ok 14320 # correct ring bond data
205: ok 14321 # correct ring bond data
205: ok 14322 # correct ring bond data
205: ok 14323 # correct ring bond data
205: ok 14324 # correct ring bond data
205: ok 14325 # correct ring bond data
205: ok 14326 # SSSR size matches reference
205: ok 14327 # correct SSSR count
205: ok 14328 # ring membership passed
205: ok 14329 # correct SSSR count
205: ok 14330 # ring membership passed
205: ok 14331 # correct SSSR count
205: ok 14332 # ring membership passed
205: ok 14333 # correct SSSR count
205: ok 14334 # ring membership passed
205: ok 14335 # correct SSSR count
205: ok 14336 # ring membership passed
205: ok 14337 # correct SSSR count
205: ok 14338 # ring membership passed
205: ok 14339 # correct SSSR count
205: ok 14340 # ring membership passed
205: ok 14341 # correct SSSR count
205: ok 14342 # ring membership passed
205: ok 14343 # correct SSSR count
205: ok 14344 # ring membership passed
205: ok 14345 # correct SSSR count
205: ok 14346 # ring membership passed
205: ok 14347 # correct SSSR count
205: ok 14348 # ring membership passed
205: ok 14349 # correct SSSR count
205: ok 14350 # ring membership passed
205: ok 14351 # correct SSSR count
205: ok 14352 # ring membership passed
205: ok 14353 # correct SSSR count
205: ok 14354 # ring membership passed
205: ok 14355 # correct SSSR count
205: ok 14356 # ring membership passed
205: ok 14357 # correct SSSR count
205: ok 14358 # ring membership passed
205: ok 14359 # correct SSSR count
205: ok 14360 # ring membership passed
205: ok 14361 # correct SSSR count
205: ok 14362 # ring membership passed
205: ok 14363 # correct SSSR count
205: ok 14364 # ring membership passed
205: ok 14365 # correct SSSR count
205: ok 14366 # ring membership passed
205: ok 14367 # correct SSSR count
205: ok 14368 # ring membership passed
205: ok 14369 # correct SSSR count
205: ok 14370 # ring membership passed
205: ok 14371 # correct SSSR count
205: ok 14372 # ring membership passed
205: ok 14373 # correct SSSR count
205: ok 14374 # ring membership passed
205: ok 14375 # correct SSSR count
205: ok 14376 # ring membership passed
205: ok 14377 # correct SSSR count
205: ok 14378 # ring membership passed
205: ok 14379 # correct SSSR count
205: ok 14380 # ring membership passed
205: ok 14381 # correct SSSR count
205: ok 14382 # ring membership passed
205: ok 14383 # correct SSSR count
205: ok 14384 # ring membership passed
205: ok 14385 # correct SSSR count
205: ok 14386 # ring membership passed
205: ok 14387 # correct SSSR count
205: ok 14388 # ring membership passed
205: ok 14389 # correct SSSR count
205: ok 14390 # ring membership passed
205: ok 14391 # correct SSSR count
205: ok 14392 # ring membership passed
205: ok 14393 # correct SSSR count
205: ok 14394 # ring membership passed
205: ok 14395 # correct SSSR count
205: ok 14396 # ring membership passed
205: ok 14397 # correct SSSR count
205: ok 14398 # ring membership passed
205: ok 14399 # correct SSSR count
205: ok 14400 # ring membership passed
205: ok 14401 # correct SSSR count
205: ok 14402 # ring membership passed
205: ok 14403 # correct SSSR count
205: ok 14404 # ring membership passed
205: ok 14405 # correct SSSR count
205: ok 14406 # ring membership passed
205: ok 14407 # correct SSSR count
205: ok 14408 # ring membership passed
205: ok 14409 # correct SSSR count
205: ok 14410 # ring membership passed
205: ok 14411 # correct SSSR count
205: ok 14412 # ring membership passed
205: ok 14413 # correct SSSR count
205: ok 14414 # ring membership passed
205: ok 14415 # correct SSSR count
205: ok 14416 # ring membership passed
205: ok 14417 # correct ring bond data
205: ok 14418 # correct ring bond data
205: ok 14419 # correct ring bond data
205: ok 14420 # correct ring bond data
205: ok 14421 # correct ring bond data
205: ok 14422 # correct ring bond data
205: ok 14423 # correct ring bond data
205: ok 14424 # correct ring bond data
205: ok 14425 # correct ring bond data
205: ok 14426 # correct ring bond data
205: ok 14427 # correct ring bond data
205: ok 14428 # correct ring bond data
205: ok 14429 # correct ring bond data
205: ok 14430 # correct ring bond data
205: ok 14431 # correct ring bond data
205: ok 14432 # correct ring bond data
205: ok 14433 # correct ring bond data
205: ok 14434 # correct ring bond data
205: ok 14435 # correct ring bond data
205: ok 14436 # correct ring bond data
205: ok 14437 # correct ring bond data
205: ok 14438 # correct ring bond data
205: ok 14439 # correct ring bond data
205: ok 14440 # correct ring bond data
205: ok 14441 # correct ring bond data
205: ok 14442 # correct ring bond data
205: ok 14443 # correct ring bond data
205: ok 14444 # correct ring bond data
205: ok 14445 # correct ring bond data
205: ok 14446 # correct ring bond data
205: ok 14447 # correct ring bond data
205: ok 14448 # correct ring bond data
205: ok 14449 # correct ring bond data
205: ok 14450 # correct ring bond data
205: ok 14451 # correct ring bond data
205: ok 14452 # correct ring bond data
205: ok 14453 # correct ring bond data
205: ok 14454 # SSSR size matches reference
205: ok 14455 # correct SSSR count
205: ok 14456 # ring membership passed
205: ok 14457 # correct SSSR count
205: ok 14458 # ring membership passed
205: ok 14459 # correct SSSR count
205: ok 14460 # ring membership passed
205: ok 14461 # correct SSSR count
205: ok 14462 # ring membership passed
205: ok 14463 # correct SSSR count
205: ok 14464 # ring membership passed
205: ok 14465 # correct SSSR count
205: ok 14466 # ring membership passed
205: ok 14467 # correct SSSR count
205: ok 14468 # ring membership passed
205: ok 14469 # correct SSSR count
205: ok 14470 # ring membership passed
205: ok 14471 # correct SSSR count
205: ok 14472 # ring membership passed
205: ok 14473 # correct SSSR count
205: ok 14474 # ring membership passed
205: ok 14475 # correct SSSR count
205: ok 14476 # ring membership passed
205: ok 14477 # correct SSSR count
205: ok 14478 # ring membership passed
205: ok 14479 # correct SSSR count
205: ok 14480 # ring membership passed
205: ok 14481 # correct SSSR count
205: ok 14482 # ring membership passed
205: ok 14483 # correct SSSR count
205: ok 14484 # ring membership passed
205: ok 14485 # correct SSSR count
205: ok 14486 # ring membership passed
205: ok 14487 # correct SSSR count
205: ok 14488 # ring membership passed
205: ok 14489 # correct SSSR count
205: ok 14490 # ring membership passed
205: ok 14491 # correct SSSR count
205: ok 14492 # ring membership passed
205: ok 14493 # correct SSSR count
205: ok 14494 # ring membership passed
205: ok 14495 # correct SSSR count
205: ok 14496 # ring membership passed
205: ok 14497 # correct SSSR count
205: ok 14498 # ring membership passed
205: ok 14499 # correct SSSR count
205: ok 14500 # ring membership passed
205: ok 14501 # correct SSSR count
205: ok 14502 # ring membership passed
205: ok 14503 # correct SSSR count
205: ok 14504 # ring membership passed
205: ok 14505 # correct SSSR count
205: ok 14506 # ring membership passed
205: ok 14507 # correct SSSR count
205: ok 14508 # ring membership passed
205: ok 14509 # correct SSSR count
205: ok 14510 # ring membership passed
205: ok 14511 # correct SSSR count
205: ok 14512 # ring membership passed
205: ok 14513 # correct SSSR count
205: ok 14514 # ring membership passed
205: ok 14515 # correct SSSR count
205: ok 14516 # ring membership passed
205: ok 14517 # correct SSSR count
205: ok 14518 # ring membership passed
205: ok 14519 # correct SSSR count
205: ok 14520 # ring membership passed
205: ok 14521 # correct ring bond data
205: ok 14522 # correct ring bond data
205: ok 14523 # correct ring bond data
205: ok 14524 # correct ring bond data
205: ok 14525 # correct ring bond data
205: ok 14526 # correct ring bond data
205: ok 14527 # correct ring bond data
205: ok 14528 # correct ring bond data
205: ok 14529 # correct ring bond data
205: ok 14530 # correct ring bond data
205: ok 14531 # correct ring bond data
205: ok 14532 # correct ring bond data
205: ok 14533 # correct ring bond data
205: ok 14534 # correct ring bond data
205: ok 14535 # correct ring bond data
205: ok 14536 # correct ring bond data
205: ok 14537 # correct ring bond data
205: ok 14538 # correct ring bond data
205: ok 14539 # correct ring bond data
205: ok 14540 # correct ring bond data
205: ok 14541 # correct ring bond data
205: ok 14542 # correct ring bond data
205: ok 14543 # correct ring bond data
205: ok 14544 # correct ring bond data
205: ok 14545 # correct ring bond data
205: ok 14546 # correct ring bond data
205: ok 14547 # SSSR size matches reference
205: ok 14548 # correct SSSR count
205: ok 14549 # ring membership passed
205: ok 14550 # correct SSSR count
205: ok 14551 # ring membership passed
205: ok 14552 # correct SSSR count
205: ok 14553 # ring membership passed
205: ok 14554 # correct SSSR count
205: ok 14555 # ring membership passed
205: ok 14556 # correct SSSR count
205: ok 14557 # ring membership passed
205: ok 14558 # correct SSSR count
205: ok 14559 # ring membership passed
205: ok 14560 # correct SSSR count
205: ok 14561 # ring membership passed
205: ok 14562 # correct SSSR count
205: ok 14563 # ring membership passed
205: ok 14564 # correct SSSR count
205: ok 14565 # ring membership passed
205: ok 14566 # correct SSSR count
205: ok 14567 # ring membership passed
205: ok 14568 # correct SSSR count
205: ok 14569 # ring membership passed
205: ok 14570 # correct SSSR count
205: ok 14571 # ring membership passed
205: ok 14572 # correct SSSR count
205: ok 14573 # ring membership passed
205: ok 14574 # correct SSSR count
205: ok 14575 # ring membership passed
205: ok 14576 # correct SSSR count
205: ok 14577 # ring membership passed
205: ok 14578 # correct SSSR count
205: ok 14579 # ring membership passed
205: ok 14580 # correct SSSR count
205: ok 14581 # ring membership passed
205: ok 14582 # correct SSSR count
205: ok 14583 # ring membership passed
205: ok 14584 # correct SSSR count
205: ok 14585 # ring membership passed
205: ok 14586 # correct SSSR count
205: ok 14587 # ring membership passed
205: ok 14588 # correct SSSR count
205: ok 14589 # ring membership passed
205: ok 14590 # correct SSSR count
205: ok 14591 # ring membership passed
205: ok 14592 # correct SSSR count
205: ok 14593 # ring membership passed
205: ok 14594 # correct SSSR count
205: ok 14595 # ring membership passed
205: ok 14596 # correct SSSR count
205: ok 14597 # ring membership passed
205: ok 14598 # correct SSSR count
205: ok 14599 # ring membership passed
205: ok 14600 # correct ring bond data
205: ok 14601 # correct ring bond data
205: ok 14602 # correct ring bond data
205: ok 14603 # correct ring bond data
205: ok 14604 # correct ring bond data
205: ok 14605 # correct ring bond data
205: ok 14606 # correct ring bond data
205: ok 14607 # correct ring bond data
205: ok 14608 # correct ring bond data
205: ok 14609 # correct ring bond data
205: ok 14610 # correct ring bond data
205: ok 14611 # correct ring bond data
205: ok 14612 # correct ring bond data
205: ok 14613 # correct ring bond data
205: ok 14614 # correct ring bond data
205: ok 14615 # correct ring bond data
205: ok 14616 # correct ring bond data
205: ok 14617 # correct ring bond data
205: ok 14618 # correct ring bond data
205: ok 14619 # correct ring bond data
205: ok 14620 # correct ring bond data
205: ok 14621 # correct ring bond data
205: ok 14622 # correct ring bond data
205: ok 14623 # correct ring bond data
205: ok 14624 # correct ring bond data
205: ok 14625 # correct ring bond data
205: ok 14626 # correct ring bond data
205: ok 14627 # correct ring bond data
205: ok 14628 # correct ring bond data
205: ok 14629 # correct ring bond data
205: ok 14630 # correct ring bond data
205: ok 14631 # correct ring bond data
205: ok 14632 # correct ring bond data
205: ok 14633 # correct ring bond data
205: ok 14634 # correct ring bond data
205: ok 14635 # correct ring bond data
205: ok 14636 # correct ring bond data
205: ok 14637 # correct ring bond data
205: ok 14638 # correct ring bond data
205: ok 14639 # correct ring bond data
205: ok 14640 # correct ring bond data
205: ok 14641 # correct ring bond data
205: ok 14642 # SSSR size matches reference
205: ok 14643 # correct SSSR count
205: ok 14644 # ring membership passed
205: ok 14645 # correct SSSR count
205: ok 14646 # ring membership passed
205: ok 14647 # correct SSSR count
205: ok 14648 # ring membership passed
205: ok 14649 # correct SSSR count
205: ok 14650 # ring membership passed
205: ok 14651 # correct SSSR count
205: ok 14652 # ring membership passed
205: ok 14653 # correct SSSR count
205: ok 14654 # ring membership passed
205: ok 14655 # correct SSSR count
205: ok 14656 # ring membership passed
205: ok 14657 # correct SSSR count
205: ok 14658 # ring membership passed
205: ok 14659 # correct SSSR count
205: ok 14660 # ring membership passed
205: ok 14661 # correct SSSR count
205: ok 14662 # ring membership passed
205: ok 14663 # correct SSSR count
205: ok 14664 # ring membership passed
205: ok 14665 # correct SSSR count
205: ok 14666 # ring membership passed
205: ok 14667 # correct SSSR count
205: ok 14668 # ring membership passed
205: ok 14669 # correct SSSR count
205: ok 14670 # ring membership passed
205: ok 14671 # correct SSSR count
205: ok 14672 # ring membership passed
205: ok 14673 # correct SSSR count
205: ok 14674 # ring membership passed
205: ok 14675 # correct SSSR count
205: ok 14676 # ring membership passed
205: ok 14677 # correct SSSR count
205: ok 14678 # ring membership passed
205: ok 14679 # correct SSSR count
205: ok 14680 # ring membership passed
205: ok 14681 # correct SSSR count
205: ok 14682 # ring membership passed
205: ok 14683 # correct SSSR count
205: ok 14684 # ring membership passed
205: ok 14685 # correct SSSR count
205: ok 14686 # ring membership passed
205: ok 14687 # correct SSSR count
205: ok 14688 # ring membership passed
205: ok 14689 # correct SSSR count
205: ok 14690 # ring membership passed
205: ok 14691 # correct SSSR count
205: ok 14692 # ring membership passed
205: ok 14693 # correct SSSR count
205: ok 14694 # ring membership passed
205: ok 14695 # correct SSSR count
205: ok 14696 # ring membership passed
205: ok 14697 # correct SSSR count
205: ok 14698 # ring membership passed
205: ok 14699 # correct SSSR count
205: ok 14700 # ring membership passed
205: ok 14701 # correct SSSR count
205: ok 14702 # ring membership passed
205: ok 14703 # correct SSSR count
205: ok 14704 # ring membership passed
205: ok 14705 # correct SSSR count
205: ok 14706 # ring membership passed
205: ok 14707 # correct SSSR count
205: ok 14708 # ring membership passed
205: ok 14709 # correct SSSR count
205: ok 14710 # ring membership passed
205: ok 14711 # correct SSSR count
205: ok 14712 # ring membership passed
205: ok 14713 # correct SSSR count
205: ok 14714 # ring membership passed
205: ok 14715 # correct SSSR count
205: ok 14716 # ring membership passed
205: ok 14717 # correct SSSR count
205: ok 14718 # ring membership passed
205: ok 14719 # correct SSSR count
205: ok 14720 # ring membership passed
205: ok 14721 # correct SSSR count
205: ok 14722 # ring membership passed
205: ok 14723 # correct SSSR count
205: ok 14724 # ring membership passed
205: ok 14725 # correct ring bond data
205: ok 14726 # correct ring bond data
205: ok 14727 # correct ring bond data
205: ok 14728 # correct ring bond data
205: ok 14729 # correct ring bond data
205: ok 14730 # correct ring bond data
205: ok 14731 # correct ring bond data
205: ok 14732 # correct ring bond data
205: ok 14733 # correct ring bond data
205: ok 14734 # correct ring bond data
205: ok 14735 # correct ring bond data
205: ok 14736 # correct ring bond data
205: ok 14737 # correct ring bond data
205: ok 14738 # correct ring bond data
205: ok 14739 # correct ring bond data
205: ok 14740 # SSSR size matches reference
205: ok 14741 # correct SSSR count
205: ok 14742 # ring membership passed
205: ok 14743 # correct SSSR count
205: ok 14744 # ring membership passed
205: ok 14745 # correct SSSR count
205: ok 14746 # ring membership passed
205: ok 14747 # correct SSSR count
205: ok 14748 # ring membership passed
205: ok 14749 # correct SSSR count
205: ok 14750 # ring membership passed
205: ok 14751 # correct SSSR count
205: ok 14752 # ring membership passed
205: ok 14753 # correct SSSR count
205: ok 14754 # ring membership passed
205: ok 14755 # correct SSSR count
205: ok 14756 # ring membership passed
205: ok 14757 # correct SSSR count
205: ok 14758 # ring membership passed
205: ok 14759 # correct SSSR count
205: ok 14760 # ring membership passed
205: ok 14761 # correct SSSR count
205: ok 14762 # ring membership passed
205: ok 14763 # correct SSSR count
205: ok 14764 # ring membership passed
205: ok 14765 # correct SSSR count
205: ok 14766 # ring membership passed
205: ok 14767 # correct SSSR count
205: ok 14768 # ring membership passed
205: ok 14769 # correct ring bond data
205: ok 14770 # correct ring bond data
205: ok 14771 # correct ring bond data
205: ok 14772 # correct ring bond data
205: ok 14773 # correct ring bond data
205: ok 14774 # correct ring bond data
205: ok 14775 # correct ring bond data
205: ok 14776 # correct ring bond data
205: ok 14777 # correct ring bond data
205: ok 14778 # correct ring bond data
205: ok 14779 # correct ring bond data
205: ok 14780 # SSSR size matches reference
205: ok 14781 # correct SSSR count
205: ok 14782 # ring membership passed
205: ok 14783 # correct SSSR count
205: ok 14784 # ring membership passed
205: ok 14785 # correct SSSR count
205: ok 14786 # ring membership passed
205: ok 14787 # correct SSSR count
205: ok 14788 # ring membership passed
205: ok 14789 # correct SSSR count
205: ok 14790 # ring membership passed
205: ok 14791 # correct SSSR count
205: ok 14792 # ring membership passed
205: ok 14793 # correct SSSR count
205: ok 14794 # ring membership passed
205: ok 14795 # correct SSSR count
205: ok 14796 # ring membership passed
205: ok 14797 # correct SSSR count
205: ok 14798 # ring membership passed
205: ok 14799 # correct SSSR count
205: ok 14800 # ring membership passed
205: ok 14801 # correct SSSR count
205: ok 14802 # ring membership passed
205: ok 14803 # correct SSSR count
205: ok 14804 # ring membership passed
205: ok 14805 # correct ring bond data
205: ok 14806 # correct ring bond data
205: ok 14807 # correct ring bond data
205: ok 14808 # correct ring bond data
205: ok 14809 # correct ring bond data
205: ok 14810 # correct ring bond data
205: ok 14811 # correct ring bond data
205: ok 14812 # correct ring bond data
205: ok 14813 # SSSR size matches reference
205: ok 14814 # correct SSSR count
205: ok 14815 # ring membership passed
205: ok 14816 # correct SSSR count
205: ok 14817 # ring membership passed
205: ok 14818 # correct SSSR count
205: ok 14819 # ring membership passed
205: ok 14820 # correct SSSR count
205: ok 14821 # ring membership passed
205: ok 14822 # correct SSSR count
205: ok 14823 # ring membership passed
205: ok 14824 # correct SSSR count
205: ok 14825 # ring membership passed
205: ok 14826 # correct SSSR count
205: ok 14827 # ring membership passed
205: ok 14828 # correct SSSR count
205: ok 14829 # ring membership passed
205: ok 14830 # correct SSSR count
205: ok 14831 # ring membership passed
205: ok 14832 # correct SSSR count
205: ok 14833 # ring membership passed
205: ok 14834 # correct ring bond data
205: ok 14835 # correct ring bond data
205: ok 14836 # correct ring bond data
205: ok 14837 # correct ring bond data
205: ok 14838 # correct ring bond data
205: ok 14839 # correct ring bond data
205: ok 14840 # correct ring bond data
205: ok 14841 # correct ring bond data
205: ok 14842 # correct ring bond data
205: ok 14843 # correct ring bond data
205: ok 14844 # correct ring bond data
205: ok 14845 # correct ring bond data
205: ok 14846 # correct ring bond data
205: ok 14847 # correct ring bond data
205: ok 14848 # correct ring bond data
205: ok 14849 # SSSR size matches reference
205: ok 14850 # correct SSSR count
205: ok 14851 # ring membership passed
205: ok 14852 # correct SSSR count
205: ok 14853 # ring membership passed
205: ok 14854 # correct SSSR count
205: ok 14855 # ring membership passed
205: ok 14856 # correct SSSR count
205: ok 14857 # ring membership passed
205: ok 14858 # correct SSSR count
205: ok 14859 # ring membership passed
205: ok 14860 # correct SSSR count
205: ok 14861 # ring membership passed
205: ok 14862 # correct SSSR count
205: ok 14863 # ring membership passed
205: ok 14864 # correct SSSR count
205: ok 14865 # ring membership passed
205: ok 14866 # correct SSSR count
205: ok 14867 # ring membership passed
205: ok 14868 # correct SSSR count
205: ok 14869 # ring membership passed
205: ok 14870 # correct SSSR count
205: ok 14871 # ring membership passed
205: ok 14872 # correct SSSR count
205: ok 14873 # ring membership passed
205: ok 14874 # correct SSSR count
205: ok 14875 # ring membership passed
205: ok 14876 # correct SSSR count
205: ok 14877 # ring membership passed
205: ok 14878 # correct SSSR count
205: ok 14879 # ring membership passed
205: ok 14880 # correct SSSR count
205: ok 14881 # ring membership passed
205: ok 14882 # correct ring bond data
205: ok 14883 # correct ring bond data
205: ok 14884 # correct ring bond data
205: ok 14885 # correct ring bond data
205: ok 14886 # correct ring bond data
205: ok 14887 # correct ring bond data
205: ok 14888 # correct ring bond data
205: ok 14889 # correct ring bond data
205: ok 14890 # correct ring bond data
205: ok 14891 # correct ring bond data
205: ok 14892 # correct ring bond data
205: ok 14893 # SSSR size matches reference
205: ok 14894 # correct SSSR count
205: ok 14895 # ring membership passed
205: ok 14896 # correct SSSR count
205: ok 14897 # ring membership passed
205: ok 14898 # correct SSSR count
205: ok 14899 # ring membership passed
205: ok 14900 # correct SSSR count
205: ok 14901 # ring membership passed
205: ok 14902 # correct SSSR count
205: ok 14903 # ring membership passed
205: ok 14904 # correct SSSR count
205: ok 14905 # ring membership passed
205: ok 14906 # correct SSSR count
205: ok 14907 # ring membership passed
205: ok 14908 # correct SSSR count
205: ok 14909 # ring membership passed
205: ok 14910 # correct SSSR count
205: ok 14911 # ring membership passed
205: ok 14912 # correct SSSR count
205: ok 14913 # ring membership passed
205: ok 14914 # correct SSSR count
205: ok 14915 # ring membership passed
205: ok 14916 # correct SSSR count
205: ok 14917 # ring membership passed
205: ok 14918 # correct SSSR count
205: ok 14919 # ring membership passed
205: ok 14920 # correct ring bond data
205: ok 14921 # correct ring bond data
205: ok 14922 # correct ring bond data
205: ok 14923 # correct ring bond data
205: ok 14924 # correct ring bond data
205: ok 14925 # correct ring bond data
205: ok 14926 # SSSR size matches reference
205: ok 14927 # correct SSSR count
205: ok 14928 # ring membership passed
205: ok 14929 # correct SSSR count
205: ok 14930 # ring membership passed
205: ok 14931 # correct SSSR count
205: ok 14932 # ring membership passed
205: ok 14933 # correct SSSR count
205: ok 14934 # ring membership passed
205: ok 14935 # correct SSSR count
205: ok 14936 # ring membership passed
205: ok 14937 # correct SSSR count
205: ok 14938 # ring membership passed
205: ok 14939 # correct SSSR count
205: ok 14940 # ring membership passed
205: ok 14941 # correct SSSR count
205: ok 14942 # ring membership passed
205: ok 14943 # correct ring bond data
205: ok 14944 # correct ring bond data
205: ok 14945 # correct ring bond data
205: ok 14946 # correct ring bond data
205: ok 14947 # correct ring bond data
205: ok 14948 # correct ring bond data
205: ok 14949 # correct ring bond data
205: ok 14950 # correct ring bond data
205: ok 14951 # correct ring bond data
205: ok 14952 # correct ring bond data
205: ok 14953 # correct ring bond data
205: ok 14954 # correct ring bond data
205: ok 14955 # correct ring bond data
205: ok 14956 # SSSR size matches reference
205: ok 14957 # correct SSSR count
205: ok 14958 # ring membership passed
205: ok 14959 # correct SSSR count
205: ok 14960 # ring membership passed
205: ok 14961 # correct SSSR count
205: ok 14962 # ring membership passed
205: ok 14963 # correct SSSR count
205: ok 14964 # ring membership passed
205: ok 14965 # correct SSSR count
205: ok 14966 # ring membership passed
205: ok 14967 # correct SSSR count
205: ok 14968 # ring membership passed
205: ok 14969 # correct SSSR count
205: ok 14970 # ring membership passed
205: ok 14971 # correct SSSR count
205: ok 14972 # ring membership passed
205: ok 14973 # correct SSSR count
205: ok 14974 # ring membership passed
205: ok 14975 # correct SSSR count
205: ok 14976 # ring membership passed
205: ok 14977 # correct SSSR count
205: ok 14978 # ring membership passed
205: ok 14979 # correct SSSR count
205: ok 14980 # ring membership passed
205: ok 14981 # correct SSSR count
205: ok 14982 # ring membership passed
205: ok 14983 # correct ring bond data
205: ok 14984 # correct ring bond data
205: ok 14985 # correct ring bond data
205: ok 14986 # correct ring bond data
205: ok 14987 # correct ring bond data
205: ok 14988 # correct ring bond data
205: ok 14989 # SSSR size matches reference
205: ok 14990 # correct SSSR count
205: ok 14991 # ring membership passed
205: ok 14992 # correct SSSR count
205: ok 14993 # ring membership passed
205: ok 14994 # correct SSSR count
205: ok 14995 # ring membership passed
205: ok 14996 # correct SSSR count
205: ok 14997 # ring membership passed
205: ok 14998 # correct SSSR count
205: ok 14999 # ring membership passed
205: ok 15000 # correct SSSR count
205: ok 15001 # ring membership passed
205: ok 15002 # correct ring bond data
205: ok 15003 # correct ring bond data
205: ok 15004 # correct ring bond data
205: ok 15005 # correct ring bond data
205: ok 15006 # correct ring bond data
205: ok 15007 # correct ring bond data
205: ok 15008 # SSSR size matches reference
205: ok 15009 # correct SSSR count
205: ok 15010 # ring membership passed
205: ok 15011 # correct SSSR count
205: ok 15012 # ring membership passed
205: ok 15013 # correct SSSR count
205: ok 15014 # ring membership passed
205: ok 15015 # correct SSSR count
205: ok 15016 # ring membership passed
205: ok 15017 # correct SSSR count
205: ok 15018 # ring membership passed
205: ok 15019 # correct SSSR count
205: ok 15020 # ring membership passed
205: ok 15021 # correct ring bond data
205: ok 15022 # correct ring bond data
205: ok 15023 # correct ring bond data
205: ok 15024 # correct ring bond data
205: ok 15025 # correct ring bond data
205: ok 15026 # SSSR size matches reference
205: ok 15027 # correct SSSR count
205: ok 15028 # ring membership passed
205: ok 15029 # correct SSSR count
205: ok 15030 # ring membership passed
205: ok 15031 # correct SSSR count
205: ok 15032 # ring membership passed
205: ok 15033 # correct SSSR count
205: ok 15034 # ring membership passed
205: ok 15035 # correct SSSR count
205: ok 15036 # ring membership passed
205: ok 15037 # correct ring bond data
205: ok 15038 # correct ring bond data
205: ok 15039 # correct ring bond data
205: ok 15040 # correct ring bond data
205: ok 15041 # correct ring bond data
205: ok 15042 # correct ring bond data
205: ok 15043 # correct ring bond data
205: ok 15044 # correct ring bond data
205: ok 15045 # correct ring bond data
205: ok 15046 # correct ring bond data
205: ok 15047 # correct ring bond data
205: ok 15048 # correct ring bond data
205: ok 15049 # correct ring bond data
205: ok 15050 # correct ring bond data
205: ok 15051 # correct ring bond data
205: ok 15052 # correct ring bond data
205: ok 15053 # correct ring bond data
205: ok 15054 # correct ring bond data
205: ok 15055 # correct ring bond data
205: ok 15056 # correct ring bond data
205: ok 15057 # correct ring bond data
205: ok 15058 # SSSR size matches reference
205: ok 15059 # correct SSSR count
205: ok 15060 # ring membership passed
205: ok 15061 # correct SSSR count
205: ok 15062 # ring membership passed
205: ok 15063 # correct SSSR count
205: ok 15064 # ring membership passed
205: ok 15065 # correct SSSR count
205: ok 15066 # ring membership passed
205: ok 15067 # correct SSSR count
205: ok 15068 # ring membership passed
205: ok 15069 # correct SSSR count
205: ok 15070 # ring membership passed
205: ok 15071 # correct SSSR count
205: ok 15072 # ring membership passed
205: ok 15073 # correct SSSR count
205: ok 15074 # ring membership passed
205: ok 15075 # correct SSSR count
205: ok 15076 # ring membership passed
205: ok 15077 # correct SSSR count
205: ok 15078 # ring membership passed
205: ok 15079 # correct SSSR count
205: ok 15080 # ring membership passed
205: ok 15081 # correct SSSR count
205: ok 15082 # ring membership passed
205: ok 15083 # correct SSSR count
205: ok 15084 # ring membership passed
205: ok 15085 # correct SSSR count
205: ok 15086 # ring membership passed
205: ok 15087 # correct SSSR count
205: ok 15088 # ring membership passed
205: ok 15089 # correct SSSR count
205: ok 15090 # ring membership passed
205: ok 15091 # correct SSSR count
205: ok 15092 # ring membership passed
205: ok 15093 # correct SSSR count
205: ok 15094 # ring membership passed
205: ok 15095 # correct ring bond data
205: ok 15096 # correct ring bond data
205: ok 15097 # correct ring bond data
205: ok 15098 # correct ring bond data
205: ok 15099 # correct ring bond data
205: ok 15100 # correct ring bond data
205: ok 15101 # correct ring bond data
205: ok 15102 # correct ring bond data
205: ok 15103 # correct ring bond data
205: ok 15104 # correct ring bond data
205: ok 15105 # correct ring bond data
205: ok 15106 # correct ring bond data
205: ok 15107 # correct ring bond data
205: ok 15108 # correct ring bond data
205: ok 15109 # correct ring bond data
205: ok 15110 # correct ring bond data
205: ok 15111 # correct ring bond data
205: ok 15112 # correct ring bond data
205: ok 15113 # SSSR size matches reference
205: ok 15114 # correct SSSR count
205: ok 15115 # ring membership passed
205: ok 15116 # correct SSSR count
205: ok 15117 # ring membership passed
205: ok 15118 # correct SSSR count
205: ok 15119 # ring membership passed
205: ok 15120 # correct SSSR count
205: ok 15121 # ring membership passed
205: ok 15122 # correct SSSR count
205: ok 15123 # ring membership passed
205: ok 15124 # correct SSSR count
205: ok 15125 # ring membership passed
205: ok 15126 # correct SSSR count
205: ok 15127 # ring membership passed
205: ok 15128 # correct SSSR count
205: ok 15129 # ring membership passed
205: ok 15130 # correct SSSR count
205: ok 15131 # ring membership passed
205: ok 15132 # correct SSSR count
205: ok 15133 # ring membership passed
205: ok 15134 # correct SSSR count
205: ok 15135 # ring membership passed
205: ok 15136 # correct SSSR count
205: ok 15137 # ring membership passed
205: ok 15138 # correct SSSR count
205: ok 15139 # ring membership passed
205: ok 15140 # correct SSSR count
205: ok 15141 # ring membership passed
205: ok 15142 # correct SSSR count
205: ok 15143 # ring membership passed
205: ok 15144 # correct SSSR count
205: ok 15145 # ring membership passed
205: ok 15146 # correct ring bond data
205: ok 15147 # correct ring bond data
205: ok 15148 # correct ring bond data
205: ok 15149 # correct ring bond data
205: ok 15150 # correct ring bond data
205: ok 15151 # correct ring bond data
205: ok 15152 # correct ring bond data
205: ok 15153 # correct ring bond data
205: ok 15154 # correct ring bond data
205: ok 15155 # correct ring bond data
205: ok 15156 # correct ring bond data
205: ok 15157 # correct ring bond data
205: ok 15158 # correct ring bond data
205: ok 15159 # correct ring bond data
205: ok 15160 # correct ring bond data
205: ok 15161 # correct ring bond data
205: ok 15162 # correct ring bond data
205: ok 15163 # correct ring bond data
205: ok 15164 # correct ring bond data
205: ok 15165 # correct ring bond data
205: ok 15166 # correct ring bond data
205: ok 15167 # correct ring bond data
205: ok 15168 # SSSR size matches reference
205: ok 15169 # correct SSSR count
205: ok 15170 # ring membership passed
205: ok 15171 # correct SSSR count
205: ok 15172 # ring membership passed
205: ok 15173 # correct SSSR count
205: ok 15174 # ring membership passed
205: ok 15175 # correct SSSR count
205: ok 15176 # ring membership passed
205: ok 15177 # correct SSSR count
205: ok 15178 # ring membership passed
205: ok 15179 # correct SSSR count
205: ok 15180 # ring membership passed
205: ok 15181 # correct SSSR count
205: ok 15182 # ring membership passed
205: ok 15183 # correct SSSR count
205: ok 15184 # ring membership passed
205: ok 15185 # correct SSSR count
205: ok 15186 # ring membership passed
205: ok 15187 # correct SSSR count
205: ok 15188 # ring membership passed
205: ok 15189 # correct SSSR count
205: ok 15190 # ring membership passed
205: ok 15191 # correct SSSR count
205: ok 15192 # ring membership passed
205: ok 15193 # correct SSSR count
205: ok 15194 # ring membership passed
205: ok 15195 # correct SSSR count
205: ok 15196 # ring membership passed
205: ok 15197 # correct SSSR count
205: ok 15198 # ring membership passed
205: ok 15199 # correct SSSR count
205: ok 15200 # ring membership passed
205: ok 15201 # correct SSSR count
205: ok 15202 # ring membership passed
205: ok 15203 # correct SSSR count
205: ok 15204 # ring membership passed
205: ok 15205 # correct SSSR count
205: ok 15206 # ring membership passed
205: ok 15207 # correct ring bond data
205: ok 15208 # correct ring bond data
205: ok 15209 # correct ring bond data
205: ok 15210 # correct ring bond data
205: ok 15211 # correct ring bond data
205: ok 15212 # correct ring bond data
205: ok 15213 # correct ring bond data
205: ok 15214 # correct ring bond data
205: ok 15215 # correct ring bond data
205: ok 15216 # correct ring bond data
205: ok 15217 # correct ring bond data
205: ok 15218 # correct ring bond data
205: ok 15219 # correct ring bond data
205: ok 15220 # correct ring bond data
205: ok 15221 # correct ring bond data
205: ok 15222 # correct ring bond data
205: ok 15223 # correct ring bond data
205: ok 15224 # correct ring bond data
205: ok 15225 # correct ring bond data
205: ok 15226 # correct ring bond data
205: ok 15227 # correct ring bond data
205: ok 15228 # correct ring bond data
205: ok 15229 # SSSR size matches reference
205: ok 15230 # correct SSSR count
205: ok 15231 # ring membership passed
205: ok 15232 # correct SSSR count
205: ok 15233 # ring membership passed
205: ok 15234 # correct SSSR count
205: ok 15235 # ring membership passed
205: ok 15236 # correct SSSR count
205: ok 15237 # ring membership passed
205: ok 15238 # correct SSSR count
205: ok 15239 # ring membership passed
205: ok 15240 # correct SSSR count
205: ok 15241 # ring membership passed
205: ok 15242 # correct SSSR count
205: ok 15243 # ring membership passed
205: ok 15244 # correct SSSR count
205: ok 15245 # ring membership passed
205: ok 15246 # correct SSSR count
205: ok 15247 # ring membership passed
205: ok 15248 # correct SSSR count
205: ok 15249 # ring membership passed
205: ok 15250 # correct SSSR count
205: ok 15251 # ring membership passed
205: ok 15252 # correct SSSR count
205: ok 15253 # ring membership passed
205: ok 15254 # correct SSSR count
205: ok 15255 # ring membership passed
205: ok 15256 # correct SSSR count
205: ok 15257 # ring membership passed
205: ok 15258 # correct SSSR count
205: ok 15259 # ring membership passed
205: ok 15260 # correct SSSR count
205: ok 15261 # ring membership passed
205: ok 15262 # correct SSSR count
205: ok 15263 # ring membership passed
205: ok 15264 # correct SSSR count
205: ok 15265 # ring membership passed
205: ok 15266 # correct SSSR count
205: ok 15267 # ring membership passed
205: ok 15268 # correct ring bond data
205: ok 15269 # correct ring bond data
205: ok 15270 # correct ring bond data
205: ok 15271 # correct ring bond data
205: ok 15272 # correct ring bond data
205: ok 15273 # correct ring bond data
205: ok 15274 # correct ring bond data
205: ok 15275 # correct ring bond data
205: ok 15276 # correct ring bond data
205: ok 15277 # correct ring bond data
205: ok 15278 # correct ring bond data
205: ok 15279 # correct ring bond data
205: ok 15280 # correct ring bond data
205: ok 15281 # correct ring bond data
205: ok 15282 # correct ring bond data
205: ok 15283 # correct ring bond data
205: ok 15284 # correct ring bond data
205: ok 15285 # correct ring bond data
205: ok 15286 # correct ring bond data
205: ok 15287 # correct ring bond data
205: ok 15288 # correct ring bond data
205: ok 15289 # SSSR size matches reference
205: ok 15290 # correct SSSR count
205: ok 15291 # ring membership passed
205: ok 15292 # correct SSSR count
205: ok 15293 # ring membership passed
205: ok 15294 # correct SSSR count
205: ok 15295 # ring membership passed
205: ok 15296 # correct SSSR count
205: ok 15297 # ring membership passed
205: ok 15298 # correct SSSR count
205: ok 15299 # ring membership passed
205: ok 15300 # correct SSSR count
205: ok 15301 # ring membership passed
205: ok 15302 # correct SSSR count
205: ok 15303 # ring membership passed
205: ok 15304 # correct SSSR count
205: ok 15305 # ring membership passed
205: ok 15306 # correct SSSR count
205: ok 15307 # ring membership passed
205: ok 15308 # correct SSSR count
205: ok 15309 # ring membership passed
205: ok 15310 # correct SSSR count
205: ok 15311 # ring membership passed
205: ok 15312 # correct SSSR count
205: ok 15313 # ring membership passed
205: ok 15314 # correct SSSR count
205: ok 15315 # ring membership passed
205: ok 15316 # correct SSSR count
205: ok 15317 # ring membership passed
205: ok 15318 # correct SSSR count
205: ok 15319 # ring membership passed
205: ok 15320 # correct SSSR count
205: ok 15321 # ring membership passed
205: ok 15322 # correct SSSR count
205: ok 15323 # ring membership passed
205: ok 15324 # correct SSSR count
205: ok 15325 # ring membership passed
205: ok 15326 # correct ring bond data
205: ok 15327 # correct ring bond data
205: ok 15328 # correct ring bond data
205: ok 15329 # correct ring bond data
205: ok 15330 # correct ring bond data
205: ok 15331 # correct ring bond data
205: ok 15332 # correct ring bond data
205: ok 15333 # correct ring bond data
205: ok 15334 # correct ring bond data
205: ok 15335 # correct ring bond data
205: ok 15336 # correct ring bond data
205: ok 15337 # correct ring bond data
205: ok 15338 # correct ring bond data
205: ok 15339 # correct ring bond data
205: ok 15340 # correct ring bond data
205: ok 15341 # correct ring bond data
205: ok 15342 # correct ring bond data
205: ok 15343 # correct ring bond data
205: ok 15344 # SSSR size matches reference
205: ok 15345 # correct SSSR count
205: ok 15346 # ring membership passed
205: ok 15347 # correct SSSR count
205: ok 15348 # ring membership passed
205: ok 15349 # correct SSSR count
205: ok 15350 # ring membership passed
205: ok 15351 # correct SSSR count
205: ok 15352 # ring membership passed
205: ok 15353 # correct SSSR count
205: ok 15354 # ring membership passed
205: ok 15355 # correct SSSR count
205: ok 15356 # ring membership passed
205: ok 15357 # correct SSSR count
205: ok 15358 # ring membership passed
205: ok 15359 # correct SSSR count
205: ok 15360 # ring membership passed
205: ok 15361 # correct SSSR count
205: ok 15362 # ring membership passed
205: ok 15363 # correct SSSR count
205: ok 15364 # ring membership passed
205: ok 15365 # correct SSSR count
205: ok 15366 # ring membership passed
205: ok 15367 # correct SSSR count
205: ok 15368 # ring membership passed
205: ok 15369 # correct SSSR count
205: ok 15370 # ring membership passed
205: ok 15371 # correct SSSR count
205: ok 15372 # ring membership passed
205: ok 15373 # correct SSSR count
205: ok 15374 # ring membership passed
205: ok 15375 # correct SSSR count
205: ok 15376 # ring membership passed
205: ok 15377 # correct ring bond data
205: ok 15378 # correct ring bond data
205: ok 15379 # correct ring bond data
205: ok 15380 # correct ring bond data
205: ok 15381 # correct ring bond data
205: ok 15382 # correct ring bond data
205: ok 15383 # correct ring bond data
205: ok 15384 # correct ring bond data
205: ok 15385 # correct ring bond data
205: ok 15386 # correct ring bond data
205: ok 15387 # correct ring bond data
205: ok 15388 # correct ring bond data
205: ok 15389 # correct ring bond data
205: ok 15390 # correct ring bond data
205: ok 15391 # correct ring bond data
205: ok 15392 # correct ring bond data
205: ok 15393 # SSSR size matches reference
205: ok 15394 # correct SSSR count
205: ok 15395 # ring membership passed
205: ok 15396 # correct SSSR count
205: ok 15397 # ring membership passed
205: ok 15398 # correct SSSR count
205: ok 15399 # ring membership passed
205: ok 15400 # correct SSSR count
205: ok 15401 # ring membership passed
205: ok 15402 # correct SSSR count
205: ok 15403 # ring membership passed
205: ok 15404 # correct SSSR count
205: ok 15405 # ring membership passed
205: ok 15406 # correct SSSR count
205: ok 15407 # ring membership passed
205: ok 15408 # correct SSSR count
205: ok 15409 # ring membership passed
205: ok 15410 # correct SSSR count
205: ok 15411 # ring membership passed
205: ok 15412 # correct SSSR count
205: ok 15413 # ring membership passed
205: ok 15414 # correct SSSR count
205: ok 15415 # ring membership passed
205: ok 15416 # correct SSSR count
205: ok 15417 # ring membership passed
205: ok 15418 # correct SSSR count
205: ok 15419 # ring membership passed
205: ok 15420 # correct SSSR count
205: ok 15421 # ring membership passed
205: ok 15422 # correct SSSR count
205: ok 15423 # ring membership passed
205: ok 15424 # correct ring bond data
205: ok 15425 # correct ring bond data
205: ok 15426 # correct ring bond data
205: ok 15427 # correct ring bond data
205: ok 15428 # correct ring bond data
205: ok 15429 # correct ring bond data
205: ok 15430 # correct ring bond data
205: ok 15431 # correct ring bond data
205: ok 15432 # correct ring bond data
205: ok 15433 # correct ring bond data
205: ok 15434 # correct ring bond data
205: ok 15435 # correct ring bond data
205: ok 15436 # correct ring bond data
205: ok 15437 # correct ring bond data
205: ok 15438 # correct ring bond data
205: ok 15439 # correct ring bond data
205: ok 15440 # correct ring bond data
205: ok 15441 # correct ring bond data
205: ok 15442 # correct ring bond data
205: ok 15443 # SSSR size matches reference
205: ok 15444 # correct SSSR count
205: ok 15445 # ring membership passed
205: ok 15446 # correct SSSR count
205: ok 15447 # ring membership passed
205: ok 15448 # correct SSSR count
205: ok 15449 # ring membership passed
205: ok 15450 # correct SSSR count
205: ok 15451 # ring membership passed
205: ok 15452 # correct SSSR count
205: ok 15453 # ring membership passed
205: ok 15454 # correct SSSR count
205: ok 15455 # ring membership passed
205: ok 15456 # correct SSSR count
205: ok 15457 # ring membership passed
205: ok 15458 # correct SSSR count
205: ok 15459 # ring membership passed
205: ok 15460 # correct SSSR count
205: ok 15461 # ring membership passed
205: ok 15462 # correct SSSR count
205: ok 15463 # ring membership passed
205: ok 15464 # correct SSSR count
205: ok 15465 # ring membership passed
205: ok 15466 # correct SSSR count
205: ok 15467 # ring membership passed
205: ok 15468 # correct SSSR count
205: ok 15469 # ring membership passed
205: ok 15470 # correct SSSR count
205: ok 15471 # ring membership passed
205: ok 15472 # correct SSSR count
205: ok 15473 # ring membership passed
205: ok 15474 # correct SSSR count
205: ok 15475 # ring membership passed
205: ok 15476 # correct SSSR count
205: ok 15477 # ring membership passed
205: ok 15478 # correct ring bond data
205: ok 15479 # correct ring bond data
205: ok 15480 # correct ring bond data
205: ok 15481 # correct ring bond data
205: ok 15482 # correct ring bond data
205: ok 15483 # correct ring bond data
205: ok 15484 # correct ring bond data
205: ok 15485 # correct ring bond data
205: ok 15486 # correct ring bond data
205: ok 15487 # correct ring bond data
205: ok 15488 # correct ring bond data
205: ok 15489 # correct ring bond data
205: ok 15490 # SSSR size matches reference
205: ok 15491 # correct SSSR count
205: ok 15492 # ring membership passed
205: ok 15493 # correct SSSR count
205: ok 15494 # ring membership passed
205: ok 15495 # correct SSSR count
205: ok 15496 # ring membership passed
205: ok 15497 # correct SSSR count
205: ok 15498 # ring membership passed
205: ok 15499 # correct SSSR count
205: ok 15500 # ring membership passed
205: ok 15501 # correct SSSR count
205: ok 15502 # ring membership passed
205: ok 15503 # correct SSSR count
205: ok 15504 # ring membership passed
205: ok 15505 # correct SSSR count
205: ok 15506 # ring membership passed
205: ok 15507 # correct SSSR count
205: ok 15508 # ring membership passed
205: ok 15509 # correct SSSR count
205: ok 15510 # ring membership passed
205: ok 15511 # correct SSSR count
205: ok 15512 # ring membership passed
205: ok 15513 # correct ring bond data
205: ok 15514 # correct ring bond data
205: ok 15515 # correct ring bond data
205: ok 15516 # correct ring bond data
205: ok 15517 # correct ring bond data
205: ok 15518 # correct ring bond data
205: ok 15519 # correct ring bond data
205: ok 15520 # correct ring bond data
205: ok 15521 # correct ring bond data
205: ok 15522 # correct ring bond data
205: ok 15523 # correct ring bond data
205: ok 15524 # correct ring bond data
205: ok 15525 # correct ring bond data
205: ok 15526 # correct ring bond data
205: ok 15527 # correct ring bond data
205: ok 15528 # correct ring bond data
205: ok 15529 # correct ring bond data
205: ok 15530 # correct ring bond data
205: ok 15531 # correct ring bond data
205: ok 15532 # correct ring bond data
205: ok 15533 # correct ring bond data
205: ok 15534 # correct ring bond data
205: ok 15535 # SSSR size matches reference
205: ok 15536 # correct SSSR count
205: ok 15537 # ring membership passed
205: ok 15538 # correct SSSR count
205: ok 15539 # ring membership passed
205: ok 15540 # correct SSSR count
205: ok 15541 # ring membership passed
205: ok 15542 # correct SSSR count
205: ok 15543 # ring membership passed
205: ok 15544 # correct SSSR count
205: ok 15545 # ring membership passed
205: ok 15546 # correct SSSR count
205: ok 15547 # ring membership passed
205: ok 15548 # correct SSSR count
205: ok 15549 # ring membership passed
205: ok 15550 # correct SSSR count
205: ok 15551 # ring membership passed
205: ok 15552 # correct SSSR count
205: ok 15553 # ring membership passed
205: ok 15554 # correct SSSR count
205: ok 15555 # ring membership passed
205: ok 15556 # correct SSSR count
205: ok 15557 # ring membership passed
205: ok 15558 # correct SSSR count
205: ok 15559 # ring membership passed
205: ok 15560 # correct SSSR count
205: ok 15561 # ring membership passed
205: ok 15562 # correct SSSR count
205: ok 15563 # ring membership passed
205: ok 15564 # correct SSSR count
205: ok 15565 # ring membership passed
205: ok 15566 # correct SSSR count
205: ok 15567 # ring membership passed
205: ok 15568 # correct SSSR count
205: ok 15569 # ring membership passed
205: ok 15570 # correct SSSR count
205: ok 15571 # ring membership passed
205: ok 15572 # correct SSSR count
205: ok 15573 # ring membership passed
205: ok 15574 # correct ring bond data
205: ok 15575 # correct ring bond data
205: ok 15576 # correct ring bond data
205: ok 15577 # correct ring bond data
205: ok 15578 # correct ring bond data
205: ok 15579 # correct ring bond data
205: ok 15580 # correct ring bond data
205: ok 15581 # correct ring bond data
205: ok 15582 # correct ring bond data
205: ok 15583 # correct ring bond data
205: ok 15584 # correct ring bond data
205: ok 15585 # correct ring bond data
205: ok 15586 # correct ring bond data
205: ok 15587 # correct ring bond data
205: ok 15588 # correct ring bond data
205: ok 15589 # correct ring bond data
205: ok 15590 # correct ring bond data
205: ok 15591 # correct ring bond data
205: ok 15592 # correct ring bond data
205: ok 15593 # correct ring bond data
205: ok 15594 # SSSR size matches reference
205: ok 15595 # correct SSSR count
205: ok 15596 # ring membership passed
205: ok 15597 # correct SSSR count
205: ok 15598 # ring membership passed
205: ok 15599 # correct SSSR count
205: ok 15600 # ring membership passed
205: ok 15601 # correct SSSR count
205: ok 15602 # ring membership passed
205: ok 15603 # correct SSSR count
205: ok 15604 # ring membership passed
205: ok 15605 # correct SSSR count
205: ok 15606 # ring membership passed
205: ok 15607 # correct SSSR count
205: ok 15608 # ring membership passed
205: ok 15609 # correct SSSR count
205: ok 15610 # ring membership passed
205: ok 15611 # correct SSSR count
205: ok 15612 # ring membership passed
205: ok 15613 # correct SSSR count
205: ok 15614 # ring membership passed
205: ok 15615 # correct SSSR count
205: ok 15616 # ring membership passed
205: ok 15617 # correct SSSR count
205: ok 15618 # ring membership passed
205: ok 15619 # correct SSSR count
205: ok 15620 # ring membership passed
205: ok 15621 # correct SSSR count
205: ok 15622 # ring membership passed
205: ok 15623 # correct SSSR count
205: ok 15624 # ring membership passed
205: ok 15625 # correct SSSR count
205: ok 15626 # ring membership passed
205: ok 15627 # correct SSSR count
205: ok 15628 # ring membership passed
205: ok 15629 # correct SSSR count
205: ok 15630 # ring membership passed
205: ok 15631 # correct SSSR count
205: ok 15632 # ring membership passed
205: ok 15633 # correct ring bond data
205: ok 15634 # correct ring bond data
205: ok 15635 # correct ring bond data
205: ok 15636 # correct ring bond data
205: ok 15637 # correct ring bond data
205: ok 15638 # correct ring bond data
205: ok 15639 # SSSR size matches reference
205: ok 15640 # correct SSSR count
205: ok 15641 # ring membership passed
205: ok 15642 # correct SSSR count
205: ok 15643 # ring membership passed
205: ok 15644 # correct SSSR count
205: ok 15645 # ring membership passed
205: ok 15646 # correct SSSR count
205: ok 15647 # ring membership passed
205: ok 15648 # correct SSSR count
205: ok 15649 # ring membership passed
205: ok 15650 # correct SSSR count
205: ok 15651 # ring membership passed
205: ok 15652 # correct SSSR count
205: ok 15653 # ring membership passed
205: ok 15654 # correct ring bond data
205: ok 15655 # correct ring bond data
205: ok 15656 # correct ring bond data
205: ok 15657 # correct ring bond data
205: ok 15658 # correct ring bond data
205: ok 15659 # correct ring bond data
205: ok 15660 # SSSR size matches reference
205: ok 15661 # correct SSSR count
205: ok 15662 # ring membership passed
205: ok 15663 # correct SSSR count
205: ok 15664 # ring membership passed
205: ok 15665 # correct SSSR count
205: ok 15666 # ring membership passed
205: ok 15667 # correct SSSR count
205: ok 15668 # ring membership passed
205: ok 15669 # correct SSSR count
205: ok 15670 # ring membership passed
205: ok 15671 # correct SSSR count
205: ok 15672 # ring membership passed
205: ok 15673 # correct SSSR count
205: ok 15674 # ring membership passed
205: ok 15675 # correct ring bond data
205: ok 15676 # correct ring bond data
205: ok 15677 # SSSR size matches reference
205: ok 15678 # correct SSSR count
205: ok 15679 # ring membership passed
205: ok 15680 # correct SSSR count
205: ok 15681 # ring membership passed
205: ok 15682 # correct SSSR count
205: ok 15683 # ring membership passed
205: 1..15683
179: 40       ( -0.029,  -0.039,   0.034)  ( -0.028,  -0.036,   0.035)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
179:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
179:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
179:     electro (  0.385,   0.292,   0.238)  (  0.385,   0.292,   0.238)  ( 0.00,  0.00,  0.00)
179: 41       (  0.005,  -0.012,   0.021)  (  0.005,  -0.011,   0.024)  ( 0.00,  0.00,  0.01)
179:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
179:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
179:     electro (  0.237,  -0.346,   0.332)  (  0.237,  -0.346,   0.332)  ( 0.00,  0.00,  0.00)
179: 42       (  0.013,   0.008,  -0.041)  (  0.014,   0.009,  -0.038)  ( 0.00,  0.00,  0.01)
179:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
179:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
179:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
179:     electro (  0.507,  -0.167,  -1.321)  (  0.507,  -0.167,  -1.321)  ( 0.00,  0.00,  0.00)
179: ok 24 # gradients 
179: ok 25 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (  0.094,  -0.054,   0.252)  (  0.101,  -0.049,   0.257)  ( 0.07,  0.03,  0.12)
179:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
179:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
179:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
179:     electro (  0.497,  -0.068,   0.172)  (  0.497,  -0.068,   0.172)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.202,  -0.384,   0.053)  ( -0.198,  -0.377,   0.070)  ( 0.09,  0.28,  0.09)
179:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
179:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
179:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
179:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.403,  -0.288,   0.154)  ( -0.403,  -0.288,   0.154)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.110,   0.062,   0.058)  ( -0.093,   0.078,  -0.064)  ( 0.18,  0.10,  0.70)
179:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
179:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
179:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
179:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
179:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
179:     electro (  1.764,  -0.743,  -0.030)  (  1.764,  -0.743,  -0.030)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.088,  -0.102,  -0.382)  ( -0.110,  -0.122,  -0.055)  ( 0.20,  0.20, 12.48)
179:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
179:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
179:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
179:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
179:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.899,  -0.244,   0.249)  ( -2.899,  -0.244,   0.249)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.068,  -0.017,  -0.125)  ( -0.065,  -0.011,  -0.110)  ( 0.02,  0.01,  0.19)
179:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
179:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
179:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
179:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
179:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro (  3.491,   1.548,  -0.219)  (  3.491,   1.548,  -0.219)  ( 0.00,  0.00,  0.00)
179:  6       (  0.024,  -0.167,   0.098)  (  0.036,  -0.156,   0.018)  ( 0.03,  0.18,  0.79)
179:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
179:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
179:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
179:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
179:     electro (  0.009,   0.307,   0.130)  (  0.009,   0.307,   0.130)  ( 0.00,  0.00,  0.00)
179:  7       ( -0.002,   0.041,  -0.083)  (  0.003,   0.047,  -0.081)  ( 0.00,  0.02,  0.02)
179:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
179:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
179:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.030,  -8.679,   0.687)  ( -4.030,  -8.679,   0.687)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
179:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
179:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
179:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
179:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
179:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
179:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.074,  -0.055,  -0.182)  ( -0.069,  -0.050,  -0.177)  ( 0.04,  0.03,  0.10)
179:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
179:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
179:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.266,   1.694,  -0.308)  ( -0.266,   1.694,  -0.308)  ( 0.00,  0.00,  0.00)
179: 11       (  0.037,  -0.007,  -0.105)  (  0.053,   0.011,  -0.240)  ( 0.06,  0.01,  1.41)
179:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
179:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
179:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
179:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
179:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.932,  -2.902,  -0.135)  ( -0.932,  -2.902,  -0.135)  ( 0.00,  0.00,  0.00)
179: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
179:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
179:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
179:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
179:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
179:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
179:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
179:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
179:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
179:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
179:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
179:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
179:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -0.222,  -0.176,   0.346)  ( -0.217,  -0.175,   0.343)  ( 0.09,  0.02,  0.10)
179:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
179:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
179:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.409,  -0.590,  -0.156)  ( -0.409,  -0.590,  -0.156)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.172,  -0.001,   0.210)  ( -0.170,   0.003,   0.205)  ( 0.02,  0.00,  0.11)
179:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
179:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
179:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
179:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
179:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
179:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
179:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
179:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
179:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
179:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
179:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
179:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
179:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
179: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
179:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
179:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
179:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
179:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
179:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
179:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
179:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
179: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
179:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
179:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
179:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
179:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
179:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
179:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
179:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
179:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
179:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
179:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
179:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
179:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
179: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
179:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
179:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
179:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
179:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
179:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
179: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
179:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
179:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
179:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
179:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
179: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
179:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
179:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
179:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
179:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
179:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
179:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
179:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
179:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
179:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
179: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
179:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
179:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
179:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
183:     bond    (-12.958,  14.537,  15.529)  (-12.956,  14.540,  15.533)  ( 0.02,  0.02,  0.03)
183:     angle   (  5.486, -21.711, -16.528)  (  5.488, -21.709, -16.526)  ( 0.04,  0.01,  0.01)
183:     strbnd  (  4.156,   8.341,  -1.058)  (  4.155,   8.340,  -1.059)  ( 0.02,  0.01,  0.04)
183:     torsion (  0.521,  -0.105,  -0.116)  (  0.521,  -0.105,  -0.116)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.814,  -1.090,   2.040)  (  2.814,  -1.090,   2.040)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       ( -0.345,  -0.098,  -0.425)  ( -0.340,  -0.093,  -0.420)  ( 0.16,  0.05,  0.21)
183:     bond    ( 19.196, -25.927,  -5.472)  ( 19.199, -25.923,  -5.468)  ( 0.02,  0.01,  0.07)
183:     angle   (-20.973,  31.110,   6.384)  (-20.971,  31.112,   6.386)  ( 0.01,  0.01,  0.03)
183:     strbnd  ( -1.801,  -4.659,   1.967)  ( -1.802,  -4.660,   1.966)  ( 0.04,  0.02,  0.03)
183:     torsion (  2.190,  -1.303,  -1.287)  (  2.190,  -1.303,  -1.287)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.043,   0.681,  -2.017)  (  1.043,   0.681,  -2.017)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 14       ( -0.307,  -0.668,  -1.189)  ( -0.302,  -0.663,  -1.183)  ( 0.14,  0.32,  0.49)
183:     bond    (-22.467,  22.959, -11.970)  (-22.463,  22.963, -11.965)  ( 0.01,  0.02,  0.04)
183:     angle   ( 20.677, -26.111,   8.252)  ( 20.679, -26.109,   8.254)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  1.372,  -1.663,  -0.432)  (  1.371,  -1.664,  -0.432)  ( 0.07,  0.05,  0.02)
183:     torsion ( -0.738,   1.381,   1.027)  ( -0.738,   1.381,   1.027)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.849,   2.766,   1.934)  (  0.849,   2.766,   1.934)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 15       ( -0.779,  -0.703,  -0.742)  ( -0.774,  -0.698,  -0.735)  ( 0.36,  0.34,  0.45)
183:     bond    ( 11.046, -27.491,   7.813)  ( 11.049, -27.488,   7.817)  ( 0.03,  0.01,  0.06)
183:     angle   (-13.695,  29.364,  -9.854)  (-13.693,  29.366,  -9.852)  ( 0.01,  0.01,  0.02)
183:     strbnd  ( -1.160,   1.909,  -1.027)  ( -1.161,   1.909,  -1.027)  ( 0.08,  0.04,  0.03)
183:     torsion (  0.502,  -0.879,  -1.143)  (  0.502,  -0.879,  -1.143)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.527,  -3.606,   3.470)  (  2.528,  -3.606,   3.470)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 16       ( -1.065,  -0.614,   1.036)  ( -1.061,  -0.609,   1.042)  ( 0.45,  0.30,  0.57)
183:     bond    ( -9.763,  20.766,  -9.836)  ( -9.759,  20.769,  -9.832)  ( 0.04,  0.02,  0.05)
183:     angle   (  9.857, -21.778,   9.882)  (  9.859, -21.776,   9.884)  ( 0.02,  0.01,  0.02)
183:     strbnd  (  0.357,   0.332,   0.998)  (  0.356,   0.331,   0.998)  ( 0.03,  0.03,  0.03)
183:     torsion ( -0.978,   0.700,   0.353)  ( -0.978,   0.700,   0.353)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.539,  -0.634,  -0.360)  ( -0.539,  -0.634,  -0.360)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 17       ( -1.087,  -1.069,   0.177)  ( -1.083,  -1.064,   0.183)  ( 0.43,  0.46,  0.10)
183:     bond    ( -1.901, -13.454,  13.464)  ( -1.897, -13.450,  13.468)  ( 0.18,  0.03,  0.03)
183:     angle   (  1.193,   9.826, -16.679)  (  1.195,   9.828, -16.677)  ( 0.18,  0.02,  0.01)
183:     strbnd  ( -3.337,   0.795,   1.409)  ( -3.338,   0.794,   1.408)  ( 0.03,  0.08,  0.02)
183:     torsion (  0.974,   1.005,   1.909)  (  0.974,   1.005,   1.909)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.983,   0.759,   0.074)  (  1.983,   0.759,   0.074)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 18       ( -0.972,  -1.131,   0.537)  ( -0.966,  -1.126,   0.543)  ( 0.57,  0.45,  0.31)
183:     bond    (  8.970,  -7.168,  -3.472)  (  8.974,  -7.164,  -3.467)  ( 0.05,  0.06,  0.13)
183:     angle   ( -7.660,   2.779,   4.648)  ( -7.658,   2.781,   4.650)  ( 0.02,  0.07,  0.04)
183:     strbnd  ( -0.534,  -1.586,   1.106)  ( -0.535,  -1.587,   1.106)  ( 0.03,  0.05,  0.04)
183:     torsion ( -0.534,  -0.161,  -0.695)  ( -0.534,  -0.161,  -0.695)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.214,   5.005,  -1.050)  ( -1.214,   5.005,  -1.050)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 19       ( -0.892,  -1.390,  -0.413)  ( -0.887,  -1.384,  -0.407)  ( 0.44,  0.43,  0.23)
183:     bond    (-14.431,   0.239,  -5.354)  (-14.427,   0.243,  -5.350)  ( 0.03,  0.11,  0.08)
183:     angle   (  5.190,  -0.465,   6.381)  (  5.192,  -0.463,   6.382)  ( 0.04,  0.09,  0.03)
183:     strbnd  (  2.347,  -0.745,   1.442)  (  2.346,  -0.746,   1.441)  ( 0.04,  0.03,  0.03)
183:     torsion (  0.871,  -0.786,  -1.907)  (  0.871,  -0.786,  -1.907)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.131,   0.367,  -0.974)  (  5.131,   0.367,  -0.974)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       ( -1.255,   0.127,  -0.110)  ( -1.249,   0.133,  -0.106)  ( 0.48,  0.08,  0.05)
183:     bond    (  4.252,  -7.565,  15.329)  (  4.256,  -7.560,  15.333)  ( 0.11,  0.06,  0.03)
183:     angle   (  1.408,   3.130,  -7.552)  (  1.409,   3.132,  -7.550)  ( 0.13,  0.06,  0.03)
183:     strbnd  (  0.392,   0.525,  -4.232)  (  0.392,   0.524,  -4.233)  ( 0.02,  0.03,  0.02)
183:     torsion ( -2.747,   1.008,   0.725)  ( -2.747,   1.008,   0.725)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.560,   3.029,  -4.380)  ( -4.560,   3.029,  -4.380)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       (  0.264,   0.125,  -0.017)  (  0.269,   0.129,  -0.012)  ( 0.13,  0.06,  0.01)
183:     bond    ( 20.008,  -3.510,  -2.218)  ( 20.012,  -3.507,  -2.215)  ( 0.02,  0.09,  0.15)
183:     angle   (-15.231,  -7.030,   0.649)  (-15.229,  -7.028,   0.651)  ( 0.01,  0.03,  0.15)
183:     strbnd  ( -8.351,  11.149,   4.002)  ( -8.352,  11.148,   4.001)  ( 0.01,  0.01,  0.02)
183:     torsion (  1.984,  -2.010,  -1.712)  (  1.984,  -2.010,  -1.712)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.854,   1.526,  -0.737)  (  1.854,   1.526,  -0.737)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       (  0.427,   0.342,  -0.042)  (  0.433,   0.348,  -0.037)  ( 0.25,  0.20,  0.02)
183:     bond    (  4.959,  -8.811, -19.046)  (  4.964,  -8.806, -19.042)  ( 0.09,  0.05,  0.02)
183:     angle   ( -3.781,   3.630,  13.839)  ( -3.779,   3.632,  13.841)  ( 0.05,  0.05,  0.01)
183:     strbnd  (  1.990,  -1.284,  -2.382)  (  1.989,  -1.285,  -2.383)  ( 0.02,  0.04,  0.04)
183:     torsion ( -0.424,  -0.578,   0.131)  ( -0.424,  -0.578,   0.131)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.317,   7.386,   7.417)  ( -2.317,   7.386,   7.417)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       (  0.262,   0.237,   0.013)  (  0.267,   0.243,   0.019)  ( 0.12,  0.14,  0.01)
183:     bond    ( -9.101, -14.027,  14.486)  ( -9.097, -14.023,  14.490)  ( 0.04,  0.03,  0.03)
181:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.269,   0.447,  -0.192)  ( -0.269,   0.447,  -0.192)  ( 0.00,  0.00,  0.00)
181: 18       ( -0.081,  -0.033,  -0.057)  ( -0.060,  -0.053,  -0.067)  ( 0.17,  0.07,  0.06)
181:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
181:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
181:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
181:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
181:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.420,  -2.651,   4.661)  ( -0.420,  -2.651,   4.661)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.058,   0.004,   0.349)  ( -0.047,   0.015,   0.354)  ( 0.06,  0.00,  0.19)
181:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
181:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
181:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
181:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
181:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.549,  -2.822,   0.391)  ( -0.549,  -2.822,   0.391)  ( 0.00,  0.00,  0.00)
181: 20       (  0.614,   0.560,   0.386)  (  0.502,   0.609,   0.460)  ( 6.89,  2.73,  2.86)
181:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
181:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
181:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
181:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
181:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
181:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
181:     electro (  7.163,   4.641,  -0.940)  (  7.163,   4.641,  -0.940)  ( 0.00,  0.00,  0.00)
181: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
181:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
181:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.190,  -0.210,  -0.397)  ( -0.195,  -0.220,  -0.390)  ( 0.10,  0.21,  0.27)
181:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
181:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
181:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
181:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
181:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
181:     electro (  1.392,  -1.067,  -0.917)  (  1.392,  -1.067,  -0.917)  ( 0.00,  0.00,  0.00)
181: 23       ( -0.334,  -0.228,   0.485)  ( -0.328,  -0.223,   0.493)  ( 0.22,  0.13,  0.36)
181:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
202/229 Test #205: test_ringtest_1 ..................   Passed    5.26 sec
test 206
        Start 206: test_smartstest_1

206: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smartstest" "1"
206: Environment variables: 
206:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
206:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
206: Test timeout computed to be: 1500
183:     angle   ( 10.251,   5.425, -14.704)  ( 10.253,   5.427, -14.702)  ( 0.02,  0.04,  0.01)
183:     strbnd  (  4.541,  -0.227,   0.888)  (  4.540,  -0.227,   0.888)  ( 0.02,  0.01,  0.06)
183:     torsion ( -1.610,   3.720,   3.452)  ( -1.610,   3.720,   3.452)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.819,   5.346,  -4.109)  ( -3.819,   5.346,  -4.109)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       (  0.357,   0.362,   0.364)  (  0.362,   0.367,   0.370)  ( 0.18,  0.17,  0.22)
183:     bond    ( 21.264, -13.824,  -2.826)  ( 21.268, -13.820,  -2.821)  ( 0.02,  0.03,  0.16)
183:     angle   (-16.268,  12.918,  11.920)  (-16.266,  12.920,  11.922)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -2.042,  -2.702,   2.306)  ( -2.043,  -2.703,   2.305)  ( 0.04,  0.04,  0.01)
183:     torsion (  0.242,  -0.309,  -3.665)  (  0.242,  -0.309,  -3.665)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.840,   4.280,  -7.371)  ( -2.839,   4.280,  -7.371)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       (  0.298,   0.643,   0.076)  (  0.302,   0.648,   0.081)  ( 0.13,  0.32,  0.04)
183:     bond    (-17.007,  -1.605,  19.177)  (-17.004,  -1.602,  19.181)  ( 0.02,  0.21,  0.02)
183:     angle   ( 20.289, -11.578, -20.050)  ( 20.291, -11.576, -20.048)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  0.219,   4.268,  -0.478)  (  0.218,   4.267,  -0.478)  ( 0.02,  0.02,  0.02)
183:     torsion ( -1.834,   2.984,   4.550)  ( -1.834,   2.984,   4.550)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.369,   6.574,  -3.124)  ( -1.369,   6.574,  -3.124)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       (  1.702,  -0.982,   0.019)  (  1.706,  -0.964,   0.099)  ( 0.20,  1.69,  0.15)
183:     bond    ( 15.847,  -1.098,  -7.962)  ( 15.850,  -1.095,  -7.959)  ( 0.02,  0.29,  0.04)
183:     angle   (-11.285,  -1.723,  11.202)  (-11.283,  -1.722,  11.203)  ( 0.02,  0.12,  0.02)
183:     strbnd  ( -2.536,   2.403,   1.664)  ( -2.537,   2.402,   1.663)  ( 0.03,  0.03,  0.04)
183:     torsion (  1.195,  -2.901,  -3.945)  (  1.195,  -2.901,  -3.945)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.005,  -0.076,  -0.452)  (  0.004,  -0.063,  -0.376)  ( 0.00,  0.10,  3.40)
183:     vdw     ( -1.368,   2.242,  -0.525)  ( -1.367,   2.242,  -0.525)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.155,   0.173,   0.037)  ( -0.155,   0.173,   0.037)  ( 0.00,  0.00,  0.00)
183: 27       (  0.236,   0.612,   0.037)  (  0.242,   0.618,   0.042)  ( 0.14,  0.35,  0.02)
183:     bond    (  5.055, -10.233, -17.302)  (  5.059, -10.229, -17.298)  ( 0.09,  0.04,  0.02)
183:     angle   ( -3.183,   7.842,  10.800)  ( -3.181,   7.843,  10.802)  ( 0.06,  0.02,  0.02)
183:     strbnd  (  1.203,   0.907,  -0.607)  (  1.203,   0.907,  -0.608)  ( 0.04,  0.05,  0.06)
183:     torsion ( -0.959,  -0.405,  -0.114)  ( -0.959,  -0.405,  -0.114)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.881,   2.501,   7.260)  ( -1.880,   2.501,   7.260)  ( 0.01,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       (  2.639,  -0.334,  -0.722)  (  2.643,  -0.333,  -0.718)  ( 0.16,  0.06,  0.35)
183:     bond    (  7.820,   3.623,  -3.208)  (  7.824,   3.624,  -3.204)  ( 0.05,  0.03,  0.12)
183:     angle   ( -2.167,   1.247,   4.426)  ( -2.166,   1.247,   4.428)  ( 0.01,  0.03,  0.03)
183:     strbnd  (  0.310,   0.219,   0.140)  (  0.310,   0.219,   0.140)  ( 0.00,  0.00,  0.01)
183:     torsion (  0.871,  -2.454,  -0.635)  (  0.871,  -2.454,  -0.635)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.614,  -2.920,  -1.379)  ( -3.614,  -2.920,  -1.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
179: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
179:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
179:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
179:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
179:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
179:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
179:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
179:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
179:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
179:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
179:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
179: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
179:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
179:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
179:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
179:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
179:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
179: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
179:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
179:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
179:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
179:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
179:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
179: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
179:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
179:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
179:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
179:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
179:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
179: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
179:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
179:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
179:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
179:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
179:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
179:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
179:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
179:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 26 # gradients 
179: ok 27 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
206: 
179:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
179:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
179:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
179:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
179:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
179:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
179:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
179:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
179:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
179:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
179:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
179:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
179:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
179:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
179:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
179:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
179:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
179:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
179:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
179:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
179:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
179:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
179:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
179:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
179:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
179:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
179:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
179:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
179:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
179:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
179:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
179:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
179:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
179:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
179:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
179:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
179:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
179:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
179:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
179:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
179:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
179:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
179:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
179:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
179:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
179:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
179:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
179:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
179:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
179:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
179:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
179:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
179:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
179:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
179:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
179: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
179:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
179:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
179:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
179:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
179:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
179: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
179:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
179:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
179:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
179:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
179:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
179:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
179: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
179:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
179:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
179:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
179:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
179:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
179:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
179: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
179:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
179:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
179:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
179:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
179: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
179:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
179:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
179:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
179: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
179:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
179:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
179:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
179:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
179:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
179: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
179:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
179:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
179:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
179:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
179:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
179: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
179:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
179:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
179:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
179:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
183:     electro ( -0.581,  -0.048,  -0.068)  ( -0.581,  -0.048,  -0.068)  ( 0.00,  0.00,  0.00)
183: 29       (  0.408,   0.492,   0.031)  (  0.409,   0.493,   0.034)  ( 0.03,  0.06,  0.01)
183:     bond    ( -1.093,   2.730,   5.745)  ( -1.093,   2.731,   5.748)  ( 0.01,  0.02,  0.04)
183:     angle   ( -0.447,  -1.804,   0.772)  ( -0.446,  -1.803,   0.772)  ( 0.03,  0.03,  0.01)
183:     strbnd  ( -0.651,  -1.825,  -2.101)  ( -0.651,  -1.825,  -2.101)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.322,  -0.173,   0.334)  (  1.322,  -0.173,   0.334)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.277,   1.563,  -4.719)  (  1.277,   1.563,  -4.719)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       (  0.503,   0.033,   0.106)  (  0.504,   0.034,   0.109)  ( 0.04,  0.00,  0.03)
183:     bond    (  0.388,  -0.566,  -1.877)  (  0.388,  -0.566,  -1.874)  ( 0.01,  0.02,  0.16)
183:     angle   ( -1.222,   1.435,  -0.686)  ( -1.222,   1.436,  -0.686)  ( 0.05,  0.04,  0.00)
183:     strbnd  ( -0.562,   0.515,   1.009)  ( -0.562,   0.515,   1.009)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.037,   0.246,  -0.289)  ( -1.037,   0.246,  -0.289)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.936,  -1.598,   1.950)  (  2.936,  -1.598,   1.950)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       (  0.438,   0.182,   0.134)  (  0.439,   0.183,   0.137)  ( 0.04,  0.02,  0.04)
183:     bond    ( -1.114,   1.979,   6.032)  ( -1.114,   1.980,   6.035)  ( 0.01,  0.02,  0.05)
183:     angle   ( -0.690,   1.900,  -0.751)  ( -0.689,   1.901,  -0.751)  ( 0.04,  0.03,  0.01)
183:     strbnd  (  0.022,  -0.078,  -2.039)  (  0.022,  -0.078,  -2.039)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.783,   1.067,  -0.206)  (  0.783,   1.067,  -0.206)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.437,  -4.688,  -2.903)  (  1.437,  -4.687,  -2.903)  ( 0.01,  0.00,  0.00)
183:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       (  1.763,   0.235,  -0.010)  (  1.764,   0.236,  -0.007)  ( 0.05,  0.03,  0.00)
183:     bond    ( -0.495,   1.091,   2.241)  ( -0.495,   1.092,   2.244)  ( 0.01,  0.06,  0.12)
183:     angle   ( -0.145,   0.135,  -0.098)  ( -0.144,   0.135,  -0.098)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.003,  -0.325,  -0.202)  ( -0.003,  -0.325,  -0.202)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.861,   0.535,   0.150)  (  1.861,   0.535,   0.150)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.545,  -1.202,  -2.101)  (  0.545,  -1.202,  -2.101)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       (  0.648,   0.036,  -0.155)  (  0.650,   0.037,  -0.153)  ( 0.11,  0.00,  0.03)
183:     bond    (  2.130,  -0.511,   2.443)  (  2.132,  -0.511,   2.445)  ( 0.07,  0.00,  0.08)
183:     angle   (  2.580,  -0.905,  -2.439)  (  2.580,  -0.904,  -2.439)  ( 0.01,  0.05,  0.01)
183:     strbnd  ( -0.613,   0.221,  -1.607)  ( -0.613,   0.221,  -1.607)  ( 0.00,  0.00,  0.00)
183:     torsion ( -2.226,   0.124,   1.967)  ( -2.226,   0.125,   1.967)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.223,   1.107,  -0.518)  ( -1.223,   1.107,  -0.518)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 34       (  0.623,  -0.025,  -0.099)  (  0.624,  -0.024,  -0.096)  ( 0.07,  0.00,  0.02)
183:     bond    (  1.205,  -1.083,  -2.206)  (  1.205,  -1.082,  -2.204)  ( 0.05,  0.05,  0.10)
183:     angle   (  4.429,  -0.679,   2.755)  (  4.430,  -0.679,   2.755)  ( 0.01,  0.03,  0.01)
183:     strbnd  ( -0.025,   0.560,   1.229)  ( -0.025,   0.560,   1.229)  ( 0.00,  0.00,  0.00)
179:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
179: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
179:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
179:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
179:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
179:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
179:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
179: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
179:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
179:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
179:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
179: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
179:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
179:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
179:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
179:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
179:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
179: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
179:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
179:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
179:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
179:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
179:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
179: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
179:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
179:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
179:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
179:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
179: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
179:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
179:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
179:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
179: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
179:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
179:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
179:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
179:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
179:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
179:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
179:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
179:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
179:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
179:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
179:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
179:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
179:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
181:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
181:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
181:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
181:     electro (  0.120,   0.021,   1.244)  (  0.120,   0.021,   1.244)  ( 0.00,  0.00,  0.00)
181: 24       (  0.020,  -0.128,  -0.527)  (  0.034,  -0.112,  -0.520)  ( 0.03,  0.20,  0.37)
181:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
181:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
181:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
181:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
181:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.183,   0.118,  -0.392)  ( -0.183,   0.118,  -0.392)  ( 0.00,  0.00,  0.00)
181: 25       (  0.159,   0.213,   0.583)  (  0.143,   0.190,   0.589)  ( 0.26,  0.50,  0.38)
181:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
181:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
181:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
181:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.393,   0.211,  -0.176)  ( -0.393,   0.211,  -0.176)  ( 0.00,  0.00,  0.00)
181: 26       (  0.084,   0.183,  -0.225)  (  0.142,   0.255,  -0.217)  ( 0.48,  1.32,  0.18)
181:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
181:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
181:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
181:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
181:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
181:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.557,   1.161,   0.184)  ( -0.557,   1.161,   0.184)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.315,  -0.428,   0.139)  ( -0.314,  -0.427,   0.141)  ( 0.05,  0.03,  0.03)
181:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
181:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
181:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
181:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.129,   0.554,  -0.484)  ( -2.129,   0.554,  -0.484)  ( 0.00,  0.00,  0.00)
181: 28       (  0.161,   0.473,  -0.074)  (  0.162,   0.473,  -0.072)  ( 0.01,  0.00,  0.01)
181:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
181:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
181:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
206: # Testing SMARTS...  
206: ok 1 # molecule passed tests
206: ok 2 # molecule passed tests
206: ok 3 # molecule passed tests
206: ok 4 # molecule passed tests
206: ok 5 # molecule passed tests
206: ok 6 # molecule passed tests
206: ok 7 # molecule passed tests
206: ok 8 # molecule passed tests
206: ok 9 # molecule passed tests
206: ok 10 # molecule passed tests
206: ok 11 # molecule passed tests
206: ok 12 # molecule passed tests
206: ok 13 # molecule passed tests
206: ok 14 # molecule passed tests
206: ok 15 # molecule passed tests
206: ok 16 # molecule passed tests
206: ok 17 # molecule passed tests
206: ok 18 # molecule passed tests
206: ok 19 # molecule passed tests
206: ok 20 # molecule passed tests
206: ok 21 # molecule passed tests
206: ok 22 # molecule passed tests
206: ok 23 # molecule passed tests
206: ok 24 # molecule passed tests
206: ok 25 # molecule passed tests
206: ok 26 # molecule passed tests
206: ok 27 # molecule passed tests
206: ok 28 # molecule passed tests
206: ok 29 # molecule passed tests
206: ok 30 # molecule passed tests
206: ok 31 # molecule passed tests
206: ok 32 # molecule passed tests
206: ok 33 # molecule passed tests
206: ok 34 # molecule passed tests
206: ok 35 # molecule passed tests
206: ok 36 # molecule passed tests
206: ok 37 # molecule passed tests
206: ok 38 # molecule passed tests
206: ok 39 # molecule passed tests
206: ok 40 # molecule passed tests
206: ok 41 # molecule passed tests
206: ok 42 # molecule passed tests
206: ok 43 # molecule passed tests
206: ok 44 # molecule passed tests
206: ok 45 # molecule passed tests
206: ok 46 # molecule passed tests
206: ok 47 # molecule passed tests
206: ok 48 # molecule passed tests
206: ok 49 # molecule passed tests
206: ok 50 # molecule passed tests
206: ok 51 # molecule passed tests
206: ok 52 # molecule passed tests
206: ok 53 # molecule passed tests
206: ok 54 # molecule passed tests
206: ok 55 # molecule passed tests
206: ok 56 # molecule passed tests
206: ok 57 # molecule passed tests
206: ok 58 # molecule passed tests
206: ok 59 # molecule passed tests
206: ok 60 # molecule passed tests
206: ok 61 # molecule passed tests
206: ok 62 # molecule passed tests
206: ok 63 # molecule passed tests
206: ok 64 # molecule passed tests
206: ok 65 # molecule passed tests
206: ok 66 # molecule passed tests
206: ok 67 # molecule passed tests
206: ok 68 # molecule passed tests
206: ok 69 # molecule passed tests
206: ok 70 # molecule passed tests
206: ok 71 # molecule passed tests
206: ok 72 # molecule passed tests
206: ok 73 # molecule passed tests
206: ok 74 # molecule passed tests
206: ok 75 # molecule passed tests
206: ok 76 # molecule passed tests
206: ok 77 # molecule passed tests
206: ok 78 # molecule passed tests
206: ok 79 # molecule passed tests
206: ok 80 # molecule passed tests
206: ok 81 # molecule passed tests
206: ok 82 # molecule passed tests
206: ok 83 # molecule passed tests
206: ok 84 # molecule passed tests
206: ok 85 # molecule passed tests
206: ok 86 # molecule passed tests
206: ok 87 # molecule passed tests
206: ok 88 # molecule passed tests
206: ok 89 # molecule passed tests
206: ok 90 # molecule passed tests
206: ok 91 # molecule passed tests
206: ok 92 # molecule passed tests
206: ok 93 # molecule passed tests
206: ok 94 # molecule passed tests
206: ok 95 # molecule passed tests
206: ok 96 # molecule passed tests
206: ok 97 # molecule passed tests
206: ok 98 # molecule passed tests
206: ok 99 # molecule passed tests
206: ok 100 # molecule passed tests
206: ok 101 # molecule passed tests
206: ok 102 # molecule passed tests
206: ok 103 # molecule passed tests
206: ok 104 # molecule passed tests
206: ok 105 # molecule passed tests
206: ok 106 # molecule passed tests
206: ok 107 # molecule passed tests
206: ok 108 # molecule passed tests
206: ok 109 # molecule passed tests
206: ok 110 # molecule passed tests
206: ok 111 # molecule passed tests
206: ok 112 # molecule passed tests
206: ok 113 # molecule passed tests
206: ok 114 # molecule passed tests
206: ok 115 # molecule passed tests
206: ok 116 # molecule passed tests
206: ok 117 # molecule passed tests
206: ok 118 # molecule passed tests
206: ok 119 # molecule passed tests
206: ok 120 # molecule passed tests
206: ok 121 # molecule passed tests
206: ok 122 # molecule passed tests
206: ok 123 # molecule passed tests
206: ok 124 # molecule passed tests
206: ok 125 # molecule passed tests
206: ok 126 # molecule passed tests
206: ok 127 # molecule passed tests
206: ok 128 # molecule passed tests
206: ok 129 # molecule passed tests
206: ok 130 # molecule passed tests
206: ok 131 # molecule passed tests
206: ok 132 # molecule passed tests
206: ok 133 # molecule passed tests
206: ok 134 # molecule passed tests
206: ok 135 # molecule passed tests
206: ok 136 # molecule passed tests
206: ok 137 # molecule passed tests
206: ok 138 # molecule passed tests
206: ok 139 # molecule passed tests
206: ok 140 # molecule passed tests
206: ok 141 # molecule passed tests
206: ok 142 # molecule passed tests
206: ok 143 # molecule passed tests
206: ok 144 # molecule passed tests
206: ok 145 # molecule passed tests
206: ok 146 # molecule passed tests
206: ok 147 # molecule passed tests
206: ok 148 # molecule passed tests
206: ok 149 # molecule passed tests
206: ok 150 # molecule passed tests
206: ok 151 # molecule passed tests
206: ok 152 # molecule passed tests
206: ok 153 # molecule passed tests
206: ok 154 # molecule passed tests
206: ok 155 # molecule passed tests
206: ok 156 # molecule passed tests
206: ok 157 # molecule passed tests
206: ok 158 # molecule passed tests
206: ok 159 # molecule passed tests
206: ok 160 # molecule passed tests
206: ok 161 # molecule passed tests
206: ok 162 # molecule passed tests
206: ok 163 # molecule passed tests
206: ok 164 # molecule passed tests
206: ok 165 # molecule passed tests
206: ok 166 # molecule passed tests
206: ok 167 # molecule passed tests
206: ok 168 # molecule passed tests
206: ok 169 # molecule passed tests
206: ok 170 # molecule passed tests
206: ok 171 # molecule passed tests
206: ok 172 # molecule passed tests
206: ok 173 # molecule passed tests
206: ok 174 # molecule passed tests
206: ok 175 # molecule passed tests
206: ok 176 # molecule passed tests
206: ok 177 # molecule passed tests
206: ok 178 # molecule passed tests
206: ok 179 # molecule passed tests
206: ok 180 # molecule passed tests
206: ok 181 # molecule passed tests
206: ok 182 # molecule passed tests
206: ok 183 # molecule passed tests
206: ok 184 # molecule passed tests
206: ok 185 # molecule passed tests
206: ok 186 # molecule passed tests
206: ok 187 # molecule passed tests
206: ok 188 # molecule passed tests
206: ok 189 # molecule passed tests
206: ok 190 # molecule passed tests
206: ok 191 # molecule passed tests
206: ok 192 # molecule passed tests
206: ok 193 # molecule passed tests
206: ok 194 # molecule passed tests
206: ok 195 # molecule passed tests
206: ok 196 # molecule passed tests
206: ok 197 # molecule passed tests
206: ok 198 # molecule passed tests
206: ok 199 # molecule passed tests
206: ok 200 # molecule passed tests
206: ok 201 # molecule passed tests
206: ok 202 # molecule passed tests
206: ok 203 # molecule passed tests
206: ok 204 # molecule passed tests
206: ok 205 # molecule passed tests
206: ok 206 # molecule passed tests
206: ok 207 # molecule passed tests
206: ok 208 # molecule passed tests
206: ok 209 # molecule passed tests
206: ok 210 # molecule passed tests
206: ok 211 # molecule passed tests
206: ok 212 # molecule passed tests
206: ok 213 # molecule passed tests
206: ok 214 # molecule passed tests
206: ok 215 # molecule passed tests
206: ok 216 # molecule passed tests
206: ok 217 # molecule passed tests
206: ok 218 # molecule passed tests
206: ok 219 # molecule passed tests
206: ok 220 # molecule passed tests
206: ok 221 # molecule passed tests
206: ok 222 # molecule passed tests
206: ok 223 # molecule passed tests
206: ok 224 # molecule passed tests
206: ok 225 # molecule passed tests
206: ok 226 # molecule passed tests
206: ok 227 # molecule passed tests
206: ok 228 # molecule passed tests
206: ok 229 # molecule passed tests
206: ok 230 # molecule passed tests
206: ok 231 # molecule passed tests
206: ok 232 # molecule passed tests
206: ok 233 # molecule passed tests
206: ok 234 # molecule passed tests
206: ok 235 # molecule passed tests
206: ok 236 # molecule passed tests
206: ok 237 # molecule passed tests
206: ok 238 # molecule passed tests
206: ok 239 # molecule passed tests
206: ok 240 # molecule passed tests
206: ok 241 # molecule passed tests
206: ok 242 # molecule passed tests
206: ok 243 # molecule passed tests
206: ok 244 # molecule passed tests
206: ok 245 # molecule passed tests
206: ok 246 # molecule passed tests
206: ok 247 # molecule passed tests
206: ok 248 # molecule passed tests
206: ok 249 # molecule passed tests
206: ok 250 # molecule passed tests
206: ok 251 # molecule passed tests
206: ok 252 # molecule passed tests
206: ok 253 # molecule passed tests
206: ok 254 # molecule passed tests
206: ok 255 # molecule passed tests
206: ok 256 # molecule passed tests
206: ok 257 # molecule passed tests
206: ok 258 # molecule passed tests
206: ok 259 # molecule passed tests
206: ok 260 # molecule passed tests
206: ok 261 # molecule passed tests
206: ok 262 # molecule passed tests
206: ok 263 # molecule passed tests
206: ok 264 # molecule passed tests
206: ok 265 # molecule passed tests
206: ok 266 # molecule passed tests
206: ok 267 # molecule passed tests
206: ok 268 # molecule passed tests
206: ok 269 # molecule passed tests
206: ok 270 # molecule passed tests
206: ok 271 # molecule passed tests
206: ok 272 # molecule passed tests
206: 1..272
203/229 Test #206: test_smartstest_1 ................   Passed    2.71 sec
test 207
        Start 207: test_smartsparse_1

207: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smartsparse" "1"
207: Environment variables: 
207:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
207:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
207: Test timeout computed to be: 1500
207: # Testing SMARTS Parsing...  
207: ok 1
207: ok 2
207: ok 3
207: ok 4
207: ok 5
207: ok 6
207: ok 7
207: ok 8
207: ok 9
207: ok 10
207: ok 11
207: ok 12
207: ok 13
207: ok 14
207: ok 15
207: ok 16
207: ok 17
207: ok 18
207: ok 19
207: ok 20
207: ok 21
207: ok 22
207: ok 23
207: ok 24
207: ok 25
207: ok 26
207: ok 27
207: ok 28
207: ok 29
207: ok 30
207: ok 31
207: ok 32
207: ok 33
207: ok 34
207: ok 35
207: ok 36
207: ok 37
207: ok 38
207: ok 39
207: ok 40
207: ok 41
207: ok 42
207: ok 43
207: ok 44
207: ok 45
207: ok 46
207: ok 47
207: ok 48
207: ok 49
207: ok 50
207: ok 51
207: ok 52
207: ok 53
207: ok 54
207: ok 55
207: ok 56
207: ok 57
207: ok 58
207: ok 59
207: ok 60
207: ok 61
207: ok 62
207: ok 63
207: ok 64
207: ok 65
207: ok 66
207: ok 67
207: ok 68
207: ok 69
207: ok 70
207: ok 71
207: ok 72
207: ok 73
207: ok 74
207: ok 75
207: ok 76
207: ok 77
207: ok 78
207: ok 79
207: ok 80
207: ok 81
207: ok 82
207: ok 83
207: ok 84
207: ok 85
207: ok 86
207: ok 87
207: ok 88
207: ok 89
207: ok 90
207: ok 91
207: ok 92
207: ok 93
207: ok 94
207: ok 95
207: ok 96
207: ok 97
207: ok 98
207: ok 99
207: ok 100
207: ok 101
207: ok 102
207: ok 103
207: ok 104
207: ok 105
207: ok 106
207: ok 107
207: ok 108
207: ok 109
207: ok 110
207: ok 111
207: ok 112
207: ok 113
207: ok 114
207: ok 115
207: ok 116
207: ok 117
207: ok 118
207: ok 119
207: ok 120
207: ok 121
207: ok 122
207: ok 123
207: ok 124
207: ok 125
207: ok 126
207: ok 127
207: ok 128
207: ok 129
207: ok 130
207: ok 131
207: ok 132
207: ok 133
207: ok 134
207: ok 135
207: ok 136
207: ok 137
207: ok 138
207: ok 139
207: ok 140
207: ok 141
207: ok 142
207: ok 143
207: ok 144
207: ok 145
207: ok 146
207: ok 147
207: ok 148
207: ok 149
207: ok 150
207: ok 151
207: ok 152
207: ok 153
207: ok 154
207: ok 155
207: ok 156
207: ok 157
207: ok 158
207: ok 159
207: ok 160
207: ok 161
207: ok 162
207: ok 163
207: ok 164
207: ok 165
207: ok 166
207: ok 167
207: ok 168
207: ok 169
207: ok 170
207: ok 171
207: ok 172
207: ok 173
207: ok 174
207: ok 175
207: ok 176
207: ok 177
207: ok 178
207: ok 179
207: ok 180
207: ok 181
207: ok 182
207: ok 183
207: ok 184
207: ok 185
207: ok 186
207: ok 187
207: ok 188
207: ok 189
207: ok 190
207: ok 191
207: ok 192
207: ok 193
207: ok 194
207: ok 195
207: ok 196
207: ok 197
207: ok 198
207: ok 199
207: ok 200
207: ok 201
207: ok 202
207: ok 203
207: ok 204
207: ok 205
207: ok 206
207: ok 207
207: ok 208
207: ok 209
207: ok 210
207: ok 211
207: ok 212
207: ok 213
207: ok 214
207: ok 215
207: ok 216
207: ok 217
207: ok 218
207: ok 219
207: ok 220
207: ok 221
207: ok 222
207: ok 223
207: ok 224
207: ok 225
207: ok 226
207: ok 227
207: ok 228
207: 1..228
204/229 Test #207: test_smartsparse_1 ...............   Passed    0.14 sec
test 208
        Start 208: test_smilesmatch_1

208: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "smilesmatch" "1"
208: Environment variables: 
208:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
208:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
208: Test timeout computed to be: 1500
183:     torsion ( -1.189,  -0.747,  -0.284)  ( -1.189,  -0.747,  -0.284)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.797,   1.923,  -1.593)  ( -3.797,   1.923,  -1.593)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 35       (  0.727,   0.236,   0.113)  (  0.728,   0.237,   0.115)  ( 0.07,  0.02,  0.03)
183:     bond    ( -1.135,   1.111,   3.160)  ( -1.134,   1.111,   3.163)  ( 0.03,  0.03,  0.08)
183:     angle   (  2.191,   0.137,   0.737)  (  2.191,   0.138,   0.737)  ( 0.03,  0.01,  0.01)
183:     strbnd  (  1.028,  -1.182,  -0.643)  (  1.028,  -1.182,  -0.643)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.059,  -1.190,   0.439)  (  0.059,  -1.190,   0.439)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.416,   1.359,  -3.581)  ( -1.416,   1.359,  -3.581)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 36       (  0.488,   0.270,  -0.116)  (  0.489,   0.274,  -0.116)  ( 0.04,  0.09,  0.01)
183:     bond    (  0.456,  -2.299,   0.220)  (  0.456,  -2.296,   0.220)  ( 0.01,  0.14,  0.00)
183:     angle   (  2.467,   0.624,   1.393)  (  2.468,   0.624,   1.393)  ( 0.02,  0.00,  0.04)
183:     strbnd  (  0.024,   1.326,   0.945)  (  0.024,   1.326,   0.945)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.177,  -0.003,  -0.400)  (  0.177,  -0.003,  -0.399)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.636,   0.622,  -2.274)  ( -2.636,   0.622,  -2.274)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 37       (  0.151,   1.287,   0.431)  (  0.152,   1.288,   0.434)  ( 0.02,  0.05,  0.13)
183:     bond    (  1.073,  -0.388,  -2.975)  (  1.074,  -0.388,  -2.972)  ( 0.04,  0.00,  0.10)
183:     angle   ( -0.794,   2.840,  -0.658)  ( -0.793,   2.841,  -0.658)  ( 0.04,  0.02,  0.00)
183:     strbnd  ( -0.284,   0.981,   1.653)  ( -0.284,   0.981,   1.653)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.057,  -0.640,  -0.298)  ( -1.057,  -0.640,  -0.298)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.212,  -1.506,   2.709)  (  1.212,  -1.506,   2.709)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 38       (  0.339,   0.476,   1.257)  (  0.340,   0.479,   1.258)  ( 0.03,  0.15,  0.04)
183:     bond    ( -0.805,   4.071,   0.318)  ( -0.805,   4.074,   0.318)  ( 0.01,  0.08,  0.00)
183:     angle   (  5.353,   1.181,  -1.582)  (  5.354,   1.181,  -1.581)  ( 0.01,  0.00,  0.03)
183:     strbnd  (  0.930,  -1.391,  -0.658)  (  0.930,  -1.391,  -0.658)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.899,  -0.571,   2.506)  ( -1.899,  -0.571,   2.506)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.240,  -2.814,   0.673)  ( -3.240,  -2.814,   0.673)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 39       ( -0.459,   2.457,  -0.480)  ( -0.460,   2.464,  -0.456)  ( 0.02,  0.30,  1.11)
183:     bond    ( -0.322,   6.022,  -1.065)  ( -0.322,   6.026,  -1.065)  ( 0.00,  0.06,  0.01)
183:     angle   ( -3.546,  -0.243,  -0.303)  ( -3.546,  -0.243,  -0.303)  ( 0.02,  0.00,  0.00)
183:     strbnd  (  0.529,  -2.091,   0.417)  (  0.529,  -2.091,   0.417)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.017,   0.060,   0.336)  (  0.017,   0.060,   0.337)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.010,  -0.029,  -0.170)  (  0.009,  -0.026,  -0.147)  ( 0.00,  0.01,  0.39)
183:     vdw     (  2.635,  -1.088,   0.220)  (  2.635,  -1.088,   0.220)  ( 0.00,  0.00,  0.00)
183:     electro (  0.219,  -0.174,   0.085)  (  0.219,  -0.174,   0.085)  ( 0.00,  0.00,  0.00)
208: 
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
179:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
179:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
179:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
179:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
179:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
179:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
179:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
179:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
179:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
179:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
179:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
179:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
179:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
179:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.665,   0.593,   1.054)  ( -0.665,   0.593,   1.054)  ( 0.00,  0.00,  0.00)
181: 29       (  0.385,   0.558,   0.067)  (  0.367,   0.535,   0.068)  ( 0.68,  1.30,  0.01)
181:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
181:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
181:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.302,  -0.096,  -0.891)  ( -0.302,  -0.096,  -0.891)  ( 0.00,  0.00,  0.00)
181: 30       ( -0.388,  -0.464,  -0.137)  ( -0.390,  -0.467,  -0.134)  ( 0.06,  0.11,  0.05)
181:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
181:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
181:     electro (  0.011,  -0.061,  -1.105)  (  0.011,  -0.061,  -1.105)  ( 0.00,  0.00,  0.00)
181: 31       ( -0.193,   0.021,   0.101)  ( -0.196,   0.016,   0.102)  ( 0.05,  0.01,  0.01)
181:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
181:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
181:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
181:     electro (  0.682,  -0.472,  -0.376)  (  0.682,  -0.472,  -0.376)  ( 0.00,  0.00,  0.00)
181: 32       ( -0.425,  -0.505,  -0.048)  ( -0.365,  -0.520,  -0.079)  ( 2.55,  0.73,  0.15)
181:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
181:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
181:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
181:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
181:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.741,   5.922,  -3.924)  ( -2.741,   5.922,  -3.924)  ( 0.00,  0.00,  0.00)
181: 33       (  0.059,   0.082,  -0.083)  (  0.093,   0.076,  -0.098)  ( 0.20,  0.05,  0.12)
181:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
181:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
181:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
181:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
181:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.274,   4.948,  -3.009)  ( -0.274,   4.948,  -3.009)  ( 0.00,  0.00,  0.00)
181: 34       (  0.389,   0.093,   0.080)  (  0.395,   0.098,   0.086)  ( 0.24,  0.05,  0.05)
181:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
181:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
181:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
181:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
181:     electro (  2.292,  -1.482,   4.326)  (  2.292,  -1.482,   4.326)  ( 0.00,  0.00,  0.00)
181: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
181:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
181:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
181:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
181:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
181:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
181:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
181:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
181:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
181:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 26 # gradients 
181: ok 27 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
208: # Testing SMILES self-matching using SMARTS...  
208: ok 1 # SMARTS matched the SMILES molecule
208: ok 2 # SMARTS matched the SMILES molecule
208: ok 3 # SMARTS matched the SMILES molecule
208: ok 4 # SMARTS matched the SMILES molecule
208: ok 5 # SMARTS matched the SMILES molecule
208: ok 6 # SMARTS matched the SMILES molecule
208: ok 7 # SMARTS matched the SMILES molecule
208: ok 8 # SMARTS matched the SMILES molecule
208: ok 9 # SMARTS matched the SMILES molecule
208: ok 10 # SMARTS matched the SMILES molecule
208: ok 11 # SMARTS matched the SMILES molecule
208: ok 12 # SMARTS matched the SMILES molecule
208: ok 13 # SMARTS matched the SMILES molecule
208: ok 14 # SMARTS matched the SMILES molecule
208: ok 15 # SMARTS matched the SMILES molecule
208: ok 16 # SMARTS matched the SMILES molecule
208: ok 17 # SMARTS matched the SMILES molecule
208: ok 18 # SMARTS matched the SMILES molecule
208: ok 19 # SMARTS matched the SMILES molecule
208: ok 20 # SMARTS matched the SMILES molecule
208: ok 21 # SMARTS matched the SMILES molecule
208: ok 22 # SMARTS matched the SMILES molecule
208: ok 23 # SMARTS matched the SMILES molecule
208: ok 24 # SMARTS matched the SMILES molecule
208: ok 25 # SMARTS matched the SMILES molecule
208: ok 26 # SMARTS matched the SMILES molecule
208: ok 27 # SMARTS matched the SMILES molecule
208: ok 28 # SMARTS matched the SMILES molecule
208: ok 29 # SMARTS matched the SMILES molecule
208: ok 30 # SMARTS matched the SMILES molecule
208: ok 31 # SMARTS matched the SMILES molecule
208: ok 32 # SMARTS matched the SMILES molecule
208: ok 33 # SMARTS matched the SMILES molecule
208: ok 34 # SMARTS matched the SMILES molecule
208: ok 35 # SMARTS matched the SMILES molecule
208: ok 36 # SMARTS matched the SMILES molecule
208: ok 37 # SMARTS matched the SMILES molecule
208: ok 38 # SMARTS matched the SMILES molecule
208: ok 39 # SMARTS matched the SMILES molecule
208: ok 40 # SMARTS matched the SMILES molecule
208: ok 41 # SMARTS matched the SMILES molecule
208: ok 42 # SMARTS matched the SMILES molecule
208: ok 43 # SMARTS matched the SMILES molecule
208: ok 44 # SMARTS matched the SMILES molecule
208: ok 45 # SMARTS matched the SMILES molecule
208: ok 46 # SMARTS matched the SMILES molecule
208: ok 47 # SMARTS matched the SMILES molecule
208: ok 48 # SMARTS matched the SMILES molecule
208: ok 49 # SMARTS matched the SMILES molecule
208: ok 50 # SMARTS matched the SMILES molecule
208: ok 51 # SMARTS matched the SMILES molecule
208: ok 52 # SMARTS matched the SMILES molecule
208: ok 53 # SMARTS matched the SMILES molecule
208: ok 54 # SMARTS matched the SMILES molecule
208: ok 55 # SMARTS matched the SMILES molecule
208: ok 56 # SMARTS matched the SMILES molecule
208: ok 57 # SMARTS matched the SMILES molecule
208: ok 58 # SMARTS matched the SMILES molecule
208: ok 59 # SMARTS matched the SMILES molecule
208: ok 60 # SMARTS matched the SMILES molecule
208: ok 61 # SMARTS matched the SMILES molecule
208: ok 62 # SMARTS matched the SMILES molecule
208: ok 63 # SMARTS matched the SMILES molecule
208: ok 64 # SMARTS matched the SMILES molecule
208: ok 65 # SMARTS matched the SMILES molecule
208: ok 66 # SMARTS matched the SMILES molecule
208: ok 67 # SMARTS matched the SMILES molecule
208: ok 68 # SMARTS matched the SMILES molecule
208: ok 69 # SMARTS matched the SMILES molecule
208: ok 70 # SMARTS matched the SMILES molecule
208: ok 71 # SMARTS matched the SMILES molecule
208: ok 72 # SMARTS matched the SMILES molecule
208: ok 73 # SMARTS matched the SMILES molecule
208: ok 74 # SMARTS matched the SMILES molecule
208: ok 75 # SMARTS matched the SMILES molecule
208: ok 76 # SMARTS matched the SMILES molecule
208: ok 77 # SMARTS matched the SMILES molecule
208: ok 78 # SMARTS matched the SMILES molecule
208: ok 79 # SMARTS matched the SMILES molecule
208: ok 80 # SMARTS matched the SMILES molecule
208: ok 81 # SMARTS matched the SMILES molecule
208: ok 82 # SMARTS matched the SMILES molecule
208: ok 83 # SMARTS matched the SMILES molecule
208: ok 84 # SMARTS matched the SMILES molecule
208: ok 85 # SMARTS matched the SMILES molecule
208: ok 86 # SMARTS matched the SMILES molecule
208: ok 87 # SMARTS matched the SMILES molecule
208: ok 88 # SMARTS matched the SMILES molecule
208: ok 89 # SMARTS matched the SMILES molecule
208: ok 90 # SMARTS matched the SMILES molecule
208: ok 91 # SMARTS matched the SMILES molecule
208: ok 92 # SMARTS matched the SMILES molecule
208: ok 93 # SMARTS matched the SMILES molecule
208: ok 94 # SMARTS matched the SMILES molecule
183: 40       (  0.840,  -0.019,  -0.312)  (  0.841,  -0.018,  -0.309)  ( 0.11,  0.00,  0.07)
183:     bond    ( -1.264,   0.699,  -1.919)  ( -1.263,   0.699,  -1.917)  ( 0.07,  0.02,  0.11)
183:     angle   (  0.476,   0.291,  -0.208)  (  0.477,   0.292,  -0.208)  ( 0.02,  0.02,  0.00)
183:     strbnd  (  0.323,   0.150,   1.507)  (  0.323,   0.150,   1.507)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.949,   0.716,  -0.364)  (  0.949,   0.716,  -0.364)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.355,  -1.875,   0.672)  (  0.355,  -1.875,   0.672)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 41       (  0.302,   0.253,  -0.644)  (  0.303,   0.254,  -0.641)  ( 0.04,  0.02,  0.15)
183:     bond    ( -1.052,   0.652,   1.694)  ( -1.051,   0.653,   1.696)  ( 0.08,  0.02,  0.13)
183:     angle   (  1.336,   3.153,  -0.385)  (  1.337,   3.153,  -0.384)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.202,   0.175,  -1.360)  (  0.202,   0.175,  -1.360)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.348,  -0.299,  -0.101)  ( -0.348,  -0.299,  -0.101)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.164,  -3.428,  -0.491)  (  0.164,  -3.428,  -0.491)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 42       (  0.242,  -0.051,   0.087)  (  0.243,  -0.051,   0.090)  ( 0.02,  0.00,  0.03)
183:     bond    (  0.344,   0.091,  -1.789)  (  0.344,   0.091,  -1.786)  ( 0.00,  0.00,  0.18)
183:     angle   ( -2.274,   1.718,  -0.351)  ( -2.274,   1.718,  -0.351)  ( 0.02,  0.03,  0.00)
183:     strbnd  (  0.055,   0.966,   0.467)  (  0.055,   0.966,   0.467)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.347,   0.529,   0.094)  (  0.347,   0.529,   0.094)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.770,  -3.355,   1.666)  (  1.770,  -3.355,   1.666)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 43       (  0.647,   0.422,  -0.099)  (  0.648,   0.424,  -0.099)  ( 0.07,  0.12,  0.01)
183:     bond    ( -0.598,   1.361,   0.419)  ( -0.597,   1.363,   0.420)  ( 0.03,  0.19,  0.01)
183:     angle   (  0.254,   1.061,  -3.086)  (  0.255,   1.061,  -3.085)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  0.585,   0.274,  -0.771)  (  0.585,   0.274,  -0.771)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.431,  -0.894,   2.291)  ( -0.431,  -0.894,   2.291)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.837,  -1.379,   1.046)  (  0.837,  -1.379,   1.046)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 44       ( -0.948,   0.980,   0.797)  ( -0.947,   0.982,   0.799)  ( 0.08,  0.11,  0.21)
183:     bond    ( -0.079,  -0.094,  -0.209)  ( -0.078,  -0.094,  -0.207)  ( 0.00,  0.00,  0.05)
183:     angle   ( -1.561,   3.754,  -1.115)  ( -1.561,   3.755,  -1.115)  ( 0.03,  0.01,  0.01)
183:     strbnd  ( -1.025,   0.299,   0.384)  ( -1.025,   0.299,   0.384)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.309,  -1.025,   0.349)  (  0.309,  -1.025,   0.349)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.408,  -1.954,   1.389)  (  1.408,  -1.954,   1.389)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 45       (  0.684,   0.907,   1.369)  (  0.687,   0.908,   1.370)  ( 0.16,  0.08,  0.09)
183:     bond    ( -1.901,   0.820,   1.194)  ( -1.899,   0.820,   1.195)  ( 0.11,  0.03,  0.07)
183:     angle   ( -0.217,  -0.147,  -0.244)  ( -0.216,  -0.146,  -0.243)  ( 0.00,  0.01,  0.01)
183:     strbnd  ( -0.303,  -0.559,  -1.117)  ( -0.303,  -0.559,  -1.117)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.043,   1.144,   0.873)  (  1.043,   1.144,   0.873)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.062,  -0.352,   0.663)  (  2.062,  -0.352,   0.663)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 46       (  0.367,  -0.348,   0.007)  (  0.368,  -0.346,   0.010)  ( 0.03,  0.04,  0.00)
183:     bond    ( -0.743,   1.942,   5.648)  ( -0.743,   1.943,   5.651)  ( 0.01,  0.02,  0.05)
183:     angle   ( -0.834,   2.429,  -0.945)  ( -0.833,   2.430,  -0.945)  ( 0.05,  0.03,  0.01)
183:     strbnd  ( -0.401,  -0.284,  -2.968)  ( -0.401,  -0.284,  -2.968)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.439,  -1.217,   0.361)  ( -0.439,  -1.217,   0.361)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.784,  -3.218,  -2.089)  (  2.784,  -3.218,  -2.089)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 47       (  0.015,  -0.265,   0.203)  (  0.016,  -0.264,   0.204)  ( 0.00,  0.04,  0.03)
183:     bond    (  0.405,  -0.387,  -0.424)  (  0.406,  -0.386,  -0.423)  ( 0.05,  0.04,  0.05)
183:     angle   ( -2.172,  -2.780,   0.450)  ( -2.171,  -2.779,   0.451)  ( 0.02,  0.01,  0.02)
183:     strbnd  ( -0.734,   0.044,   1.793)  ( -0.734,   0.044,   1.793)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.276,  -0.075,  -0.196)  ( -0.276,  -0.075,  -0.196)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.791,   2.933,  -1.421)  (  2.791,   2.933,  -1.421)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 48       ( -0.723,  -0.153,  -2.370)  ( -0.721,  -0.151,  -2.369)  ( 0.12,  0.03,  0.05)
183:     bond    ( -0.977,   1.037,   0.786)  ( -0.976,   1.038,   0.787)  ( 0.12,  0.13,  0.06)
183:     angle   ( -0.242,   0.074,  -0.397)  ( -0.241,   0.074,  -0.397)  ( 0.01,  0.00,  0.01)
183:     strbnd  (  0.015,  -0.149,  -2.101)  (  0.015,  -0.149,  -2.101)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.303,   0.391,  -0.890)  ( -0.303,   0.391,  -0.890)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.783,  -1.505,   0.233)  (  0.783,  -1.505,   0.233)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 49       (  0.608,  -1.419,  -1.523)  (  0.609,  -1.418,  -1.520)  ( 0.04,  0.06,  0.21)
183:     bond    ( -0.234,   0.800,  -3.501)  ( -0.234,   0.800,  -3.498)  ( 0.00,  0.01,  0.09)
183:     angle   ( -0.364,  -2.283,  -0.498)  ( -0.363,  -2.283,  -0.498)  ( 0.02,  0.02,  0.00)
183:     strbnd  ( -1.308,   0.802,   1.925)  ( -1.308,   0.802,   1.925)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.209,  -1.267,  -0.371)  (  1.209,  -1.267,  -0.371)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.305,   0.529,   0.922)  (  1.305,   0.529,   0.922)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 50       ( -1.926,  -0.688,  -1.325)  ( -1.925,  -0.687,  -1.323)  ( 0.05,  0.11,  0.15)
183:     bond    (  1.132,  -1.684,  -2.127)  (  1.132,  -1.683,  -2.125)  ( 0.04,  0.07,  0.08)
183:     angle   ( -0.386,   0.713,  -0.771)  ( -0.386,   0.714,  -0.771)  ( 0.02,  0.03,  0.02)
183:     strbnd  ( -0.234,  -0.477,   1.916)  ( -0.234,  -0.478,   1.916)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.839,   0.814,  -1.092)  ( -0.839,   0.814,  -1.092)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.600,  -0.054,   0.749)  ( -1.600,  -0.054,   0.749)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 51       (  0.141,  -0.997,  -1.237)  (  0.142,  -0.996,  -1.234)  ( 0.01,  0.10,  0.23)
183:     bond    ( -0.459,   0.602,  -1.366)  ( -0.459,   0.603,  -1.364)  ( 0.01,  0.03,  0.19)
181:  1       ( -0.595,   0.676,  -0.223)  ( -0.647,   0.628,   0.039)  ( 3.09,  3.19,  5.85)
181:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
181:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
181:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
181:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
181:     electro (  1.944,   0.348,   0.151)  (  1.944,   0.348,   0.151)  ( 0.00,  0.00,  0.00)
181:  2       (  0.243,  -0.582,   0.489)  (  0.380,  -0.465,  -0.033)  ( 3.33,  6.81, 25.52)
181:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
181:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
181:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
181:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
181:     electro (  0.206,  -1.014,  -0.227)  (  0.206,  -1.014,  -0.227)  ( 0.00,  0.00,  0.00)
181:  3       ( -0.763,   1.187,  -0.035)  ( -0.848,   1.119,   0.325)  ( 6.49,  5.73,  1.25)
181:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
181:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
181:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
181:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
181:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
181:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.277,   0.151,  -0.665)  ( -2.277,   0.151,  -0.665)  ( 0.00,  0.00,  0.00)
181:  4       (  1.476,  -1.408,  -0.324)  (  1.484,  -1.398,  -0.333)  ( 0.57,  0.66,  0.29)
181:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
181:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
181:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
181:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
181:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
181:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
181:     electro (  1.398,   0.286,  -0.115)  (  1.398,   0.286,  -0.115)  ( 0.00,  0.00,  0.00)
181:  5       ( -7.232,   4.097,   0.766)  ( -7.223,   4.103,   0.756)  ( 0.13,  0.16,  0.75)
181:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
181:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
181:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
181:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
181:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.373,   2.267,  -0.544)  ( -1.373,   2.267,  -0.544)  ( 0.00,  0.00,  0.00)
181:  6       (  1.194,  -0.710,  -0.021)  (  1.214,  -0.689,  -0.081)  ( 1.75,  1.54,  0.13)
181:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
181:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
181:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
181:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
181:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.575,   0.560,   0.247)  ( -0.575,   0.560,   0.247)  ( 0.00,  0.00,  0.00)
181:  7       (  0.327,  -3.127,  -0.353)  (  0.337,  -3.117,  -0.367)  ( 0.32,  0.34,  0.51)
181:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
181:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
181:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
181:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
181:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
181:     electro (  1.794,  -3.780,  -0.070)  (  1.794,  -3.780,  -0.070)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.966,   1.382,   0.070)  ( -0.996,   1.356,   0.203)  ( 2.96,  1.82,  0.93)
181:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
181:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
181:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
181:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
181:     electro (  0.051,  -1.139,   0.000)  (  0.051,  -1.139,   0.000)  ( 0.00,  0.00,  0.00)
181:  9       (  0.472,  -1.055,  -0.032)  (  0.477,  -1.049,  -0.027)  ( 0.27,  0.54,  0.02)
181:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
181:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
181:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
181:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
181:     electro (  0.161,  -0.154,  -0.314)  (  0.161,  -0.154,  -0.314)  ( 0.00,  0.00,  0.00)
181: 10       (  0.385,  -1.062,  -0.159)  (  0.412,  -1.037,  -0.241)  ( 1.03,  2.28,  1.31)
181:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
181:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
181:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
181:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
181:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.320,  -0.012,  -0.165)  ( -0.320,  -0.012,  -0.165)  ( 0.00,  0.00,  0.00)
181: 11       (  0.541,  -0.368,  -0.055)  (  0.555,  -0.353,  -0.089)  ( 0.77,  0.55,  0.19)
181:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
181:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
181:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
181:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
181:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
181:     electro (  0.757,   0.104,   0.581)  (  0.757,   0.104,   0.581)  ( 0.00,  0.00,  0.00)
181: 12       (  0.752, -10.437,   1.848)  (  0.765, -10.435,   1.820)  ( 0.95,  0.03,  1.51)
179:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
179:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
179:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
179:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
179: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
179:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
179:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
179:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
179:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
179: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
179:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
179:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
179:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
179: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
179:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
179:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
179: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
179:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
179:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
179:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
179: ok 28 # gradients 
179: ok 29 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
179:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
179:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
179:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
179:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
179:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
179:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
179:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
179:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
179:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
179:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
179:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
179:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
179:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
179:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
179:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
179:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
179:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
179:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
179:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
179:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
179:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
179:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
179:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
181:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
181:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
181:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
181:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
181:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
181:     electro (  0.047,  -1.041,   0.262)  (  0.047,  -1.041,   0.262)  ( 0.00,  0.00,  0.00)
181: 13       (  2.757,  -5.629,   1.087)  (  2.764,  -5.622,   1.091)  ( 0.25,  0.13,  0.32)
181:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
181:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
181:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
181:     electro (  0.396,   0.611,  -0.010)  (  0.396,   0.611,  -0.010)  ( 0.00,  0.00,  0.00)
181: 14       ( -1.335,  -2.141,   0.084)  ( -1.328,  -2.134,   0.089)  ( 0.50,  0.31,  0.04)
181:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
181:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
181:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
181:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.806,   0.290,  -0.101)  ( -0.806,   0.290,  -0.101)  ( 0.00,  0.00,  0.00)
181: 15       (  3.031,  -0.230,   0.341)  (  3.037,  -0.223,   0.340)  ( 0.22,  0.15,  0.03)
181:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
181:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
181:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
181:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
181:     electro (  1.026,  -0.090,   0.154)  (  1.026,  -0.090,   0.154)  ( 0.00,  0.00,  0.00)
181: 16       ( 12.370,   1.930,   0.944)  ( 12.375,   1.941,   0.966)  ( 0.04,  0.55,  2.13)
181:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
181:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
181:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
181:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
181:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.154,   1.229,  -0.132)  ( -0.154,   1.229,  -0.132)  ( 0.00,  0.00,  0.00)
181: 17       (-13.450,  41.014,  -7.667)  (-13.439,  41.016,  -7.711)  ( 0.08,  0.00,  0.58)
181:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
181:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
181:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
181:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
208: ok 95 # SMARTS matched the SMILES molecule
208: ok 96 # SMARTS matched the SMILES molecule
208: ok 97 # SMARTS matched the SMILES molecule
208: ok 98 # SMARTS matched the SMILES molecule
208: ok 99 # SMARTS matched the SMILES molecule
208: ok 100 # SMARTS matched the SMILES molecule
208: ok 101 # SMARTS matched the SMILES molecule
208: ok 102 # SMARTS matched the SMILES molecule
208: ok 103 # SMARTS matched the SMILES molecule
208: ok 104 # SMARTS matched the SMILES molecule
208: ok 105 # SMARTS matched the SMILES molecule
208: ok 106 # SMARTS matched the SMILES molecule
208: ok 107 # SMARTS matched the SMILES molecule
208: ok 108 # SMARTS matched the SMILES molecule
208: ok 109 # SMARTS matched the SMILES molecule
208: ok 110 # SMARTS matched the SMILES molecule
208: ok 111 # SMARTS matched the SMILES molecule
208: ok 112 # SMARTS matched the SMILES molecule
208: ok 113 # SMARTS matched the SMILES molecule
208: ok 114 # SMARTS matched the SMILES molecule
208: ok 115 # SMARTS matched the SMILES molecule
208: ok 116 # SMARTS matched the SMILES molecule
208: ok 117 # SMARTS matched the SMILES molecule
208: ok 118 # SMARTS matched the SMILES molecule
208: ok 119 # SMARTS matched the SMILES molecule
208: ok 120 # SMARTS matched the SMILES molecule
208: ok 121 # SMARTS matched the SMILES molecule
208: ok 122 # SMARTS matched the SMILES molecule
208: ok 123 # SMARTS matched the SMILES molecule
208: ok 124 # SMARTS matched the SMILES molecule
208: ok 125 # SMARTS matched the SMILES molecule
208: ok 126 # SMARTS matched the SMILES molecule
208: ok 127 # SMARTS matched the SMILES molecule
208: ok 128 # SMARTS matched the SMILES molecule
208: ok 129 # SMARTS matched the SMILES molecule
208: ok 130 # SMARTS matched the SMILES molecule
208: ok 131 # SMARTS matched the SMILES molecule
208: ok 132 # SMARTS matched the SMILES molecule
208: ok 133 # SMARTS matched the SMILES molecule
208: ok 134 # SMARTS matched the SMILES molecule
208: ok 135 # SMARTS matched the SMILES molecule
208: ok 136 # SMARTS matched the SMILES molecule
208: ok 137 # SMARTS matched the SMILES molecule
208: ok 138 # SMARTS matched the SMILES molecule
208: ok 139 # SMARTS matched the SMILES molecule
208: ok 140 # SMARTS matched the SMILES molecule
208: ok 141 # SMARTS matched the SMILES molecule
208: ok 142 # SMARTS matched the SMILES molecule
208: ok 143 # SMARTS matched the SMILES molecule
208: ok 144 # SMARTS matched the SMILES molecule
208: ok 145 # SMARTS matched the SMILES molecule
208: ok 146 # SMARTS matched the SMILES molecule
208: ok 147 # SMARTS matched the SMILES molecule
208: ok 148 # SMARTS matched the SMILES molecule
208: ok 149 # SMARTS matched the SMILES molecule
208: ok 150 # SMARTS matched the SMILES molecule
208: ok 151 # SMARTS matched the SMILES molecule
208: ok 152 # SMARTS matched the SMILES molecule
208: ok 153 # SMARTS matched the SMILES molecule
208: ok 154 # SMARTS matched the SMILES molecule
208: ok 155 # SMARTS matched the SMILES molecule
208: ok 156 # SMARTS matched the SMILES molecule
208: ok 157 # SMARTS matched the SMILES molecule
208: ok 158 # SMARTS matched the SMILES molecule
208: ok 159 # SMARTS matched the SMILES molecule
208: ok 160 # SMARTS matched the SMILES molecule
208: ok 161 # SMARTS matched the SMILES molecule
208: ok 162 # SMARTS matched the SMILES molecule
208: ok 163 # SMARTS matched the SMILES molecule
208: ok 164 # SMARTS matched the SMILES molecule
208: ok 165 # SMARTS matched the SMILES molecule
208: ok 166 # SMARTS matched the SMILES molecule
208: ok 167 # SMARTS matched the SMILES molecule
208: ok 168 # SMARTS matched the SMILES molecule
208: ok 169 # SMARTS matched the SMILES molecule
208: ok 170 # SMARTS matched the SMILES molecule
208: ok 171 # SMARTS matched the SMILES molecule
208: ok 172 # SMARTS matched the SMILES molecule
208: ok 173 # SMARTS matched the SMILES molecule
208: ok 174 # SMARTS matched the SMILES molecule
208: ok 175 # SMARTS matched the SMILES molecule
208: ok 176 # SMARTS matched the SMILES molecule
208: ok 177 # SMARTS matched the SMILES molecule
208: ok 178 # SMARTS matched the SMILES molecule
208: ok 179 # SMARTS matched the SMILES molecule
208: ok 180 # SMARTS matched the SMILES molecule
208: ok 181 # SMARTS matched the SMILES molecule
208: ok 182 # SMARTS matched the SMILES molecule
208: ok 183 # SMARTS matched the SMILES molecule
208: ok 184 # SMARTS matched the SMILES molecule
208: ok 185 # SMARTS matched the SMILES molecule
208: ok 186 # SMARTS matched the SMILES molecule
208: ok 187 # SMARTS matched the SMILES molecule
208: ok 188 # SMARTS matched the SMILES molecule
208: ok 189 # SMARTS matched the SMILES molecule
208: ok 190 # SMARTS matched the SMILES molecule
208: ok 191 # SMARTS matched the SMILES molecule
208: ok 192 # SMARTS matched the SMILES molecule
208: ok 193 # SMARTS matched the SMILES molecule
208: ok 194 # SMARTS matched the SMILES molecule
208: ok 195 # SMARTS matched the SMILES molecule
208: ok 196 # SMARTS matched the SMILES molecule
208: ok 197 # SMARTS matched the SMILES molecule
208: ok 198 # SMARTS matched the SMILES molecule
208: ok 199 # SMARTS matched the SMILES molecule
208: ok 200 # SMARTS matched the SMILES molecule
208: ok 201 # SMARTS matched the SMILES molecule
208: ok 202 # SMARTS matched the SMILES molecule
208: ok 203 # SMARTS matched the SMILES molecule
208: ok 204 # SMARTS matched the SMILES molecule
208: ok 205 # SMARTS matched the SMILES molecule
208: ok 206 # SMARTS matched the SMILES molecule
208: ok 207 # SMARTS matched the SMILES molecule
208: ok 208 # SMARTS matched the SMILES molecule
208: ok 209 # SMARTS matched the SMILES molecule
208: ok 210 # SMARTS matched the SMILES molecule
208: ok 211 # SMARTS matched the SMILES molecule
208: ok 212 # SMARTS matched the SMILES molecule
208: ok 213 # SMARTS matched the SMILES molecule
208: ok 214 # SMARTS matched the SMILES molecule
208: ok 215 # SMARTS matched the SMILES molecule
208: ok 216 # SMARTS matched the SMILES molecule
208: ok 217 # SMARTS matched the SMILES molecule
208: ok 218 # SMARTS matched the SMILES molecule
208: ok 219 # SMARTS matched the SMILES molecule
208: ok 220 # SMARTS matched the SMILES molecule
208: ok 221 # SMARTS matched the SMILES molecule
208: ok 222 # SMARTS matched the SMILES molecule
208: ok 223 # SMARTS matched the SMILES molecule
208: ok 224 # SMARTS matched the SMILES molecule
208: ok 225 # SMARTS matched the SMILES molecule
208: ok 226 # SMARTS matched the SMILES molecule
208: ok 227 # SMARTS matched the SMILES molecule
208: ok 228 # SMARTS matched the SMILES molecule
208: ok 229 # SMARTS matched the SMILES molecule
208: ok 230 # SMARTS matched the SMILES molecule
208: ok 231 # SMARTS matched the SMILES molecule
208: ok 232 # SMARTS matched the SMILES molecule
208: ok 233 # SMARTS matched the SMILES molecule
208: ok 234 # SMARTS matched the SMILES molecule
208: ok 235 # SMARTS matched the SMILES molecule
208: ok 236 # SMARTS matched the SMILES molecule
208: ok 237 # SMARTS matched the SMILES molecule
208: ok 238 # SMARTS matched the SMILES molecule
208: ok 239 # SMARTS matched the SMILES molecule
208: ok 240 # SMARTS matched the SMILES molecule
208: ok 241 # SMARTS matched the SMILES molecule
208: ok 242 # SMARTS matched the SMILES molecule
208: ok 243 # SMARTS matched the SMILES molecule
208: ok 244 # SMARTS matched the SMILES molecule
208: ok 245 # SMARTS matched the SMILES molecule
208: ok 246 # SMARTS matched the SMILES molecule
208: ok 247 # SMARTS matched the SMILES molecule
208: ok 248 # SMARTS matched the SMILES molecule
208: ok 249 # SMARTS matched the SMILES molecule
208: ok 250 # SMARTS matched the SMILES molecule
208: ok 251 # SMARTS matched the SMILES molecule
208: ok 252 # SMARTS matched the SMILES molecule
208: ok 253 # SMARTS matched the SMILES molecule
208: ok 254 # SMARTS matched the SMILES molecule
208: ok 255 # SMARTS matched the SMILES molecule
208: ok 256 # SMARTS matched the SMILES molecule
208: ok 257 # SMARTS matched the SMILES molecule
208: ok 258 # SMARTS matched the SMILES molecule
208: ok 259 # SMARTS matched the SMILES molecule
208: ok 260 # SMARTS matched the SMILES molecule
208: ok 261 # SMARTS matched the SMILES molecule
208: ok 262 # SMARTS matched the SMILES molecule
208: ok 263 # SMARTS matched the SMILES molecule
208: ok 264 # SMARTS matched the SMILES molecule
208: ok 265 # SMARTS matched the SMILES molecule
208: ok 266 # SMARTS matched the SMILES molecule
208: ok 267 # SMARTS matched the SMILES molecule
208: ok 268 # SMARTS matched the SMILES molecule
208: ok 269 # SMARTS matched the SMILES molecule
208: ok 270 # SMARTS matched the SMILES molecule
208: ok 271 # SMARTS matched the SMILES molecule
208: ok 272 # SMARTS matched the SMILES molecule
208: ok 273 # SMARTS matched the SMILES molecule
208: ok 274 # SMARTS matched the SMILES molecule
208: ok 275 # SMARTS matched the SMILES molecule
208: ok 276 # SMARTS matched the SMILES molecule
208: ok 277 # SMARTS matched the SMILES molecule
208: ok 278 # SMARTS matched the SMILES molecule
208: ok 279 # SMARTS matched the SMILES molecule
208: ok 280 # SMARTS matched the SMILES molecule
208: ok 281 # SMARTS matched the SMILES molecule
208: ok 282 # SMARTS matched the SMILES molecule
208: ok 283 # SMARTS matched the SMILES molecule
208: ok 284 # SMARTS matched the SMILES molecule
208: ok 285 # SMARTS matched the SMILES molecule
208: ok 286 # SMARTS matched the SMILES molecule
208: ok 287 # SMARTS matched the SMILES molecule
208: ok 288 # SMARTS matched the SMILES molecule
208: ok 289 # SMARTS matched the SMILES molecule
208: ok 290 # SMARTS matched the SMILES molecule
208: ok 291 # SMARTS matched the SMILES molecule
208: ok 292 # SMARTS matched the SMILES molecule
208: ok 293 # SMARTS matched the SMILES molecule
208: ok 294 # SMARTS matched the SMILES molecule
208: ok 295 # SMARTS matched the SMILES molecule
208: ok 296 # SMARTS matched the SMILES molecule
208: ok 297 # SMARTS matched the SMILES molecule
208: ok 298 # SMARTS matched the SMILES molecule
208: ok 299 # SMARTS matched the SMILES molecule
208: ok 300 # SMARTS matched the SMILES molecule
208: ok 301 # SMARTS matched the SMILES molecule
208: ok 302 # SMARTS matched the SMILES molecule
208: ok 303 # SMARTS matched the SMILES molecule
208: ok 304 # SMARTS matched the SMILES molecule
208: ok 305 # SMARTS matched the SMILES molecule
208: ok 306 # SMARTS matched the SMILES molecule
208: ok 307 # SMARTS matched the SMILES molecule
208: ok 308 # SMARTS matched the SMILES molecule
208: ok 309 # SMARTS matched the SMILES molecule
208: ok 310 # SMARTS matched the SMILES molecule
208: ok 311 # SMARTS matched the SMILES molecule
208: ok 312 # SMARTS matched the SMILES molecule
208: ok 313 # SMARTS matched the SMILES molecule
208: ok 314 # SMARTS matched the SMILES molecule
208: ok 315 # SMARTS matched the SMILES molecule
208: ok 316 # SMARTS matched the SMILES molecule
208: ok 317 # SMARTS matched the SMILES molecule
208: ok 318 # SMARTS matched the SMILES molecule
208: ok 319 # SMARTS matched the SMILES molecule
208: ok 320 # SMARTS matched the SMILES molecule
208: ok 321 # SMARTS matched the SMILES molecule
208: ok 322 # SMARTS matched the SMILES molecule
208: ok 323 # SMARTS matched the SMILES molecule
208: ok 324 # SMARTS matched the SMILES molecule
208: ok 325 # SMARTS matched the SMILES molecule
208: ok 326 # SMARTS matched the SMILES molecule
208: ok 327 # SMARTS matched the SMILES molecule
208: ok 328 # SMARTS matched the SMILES molecule
208: ok 329 # SMARTS matched the SMILES molecule
208: ok 330 # SMARTS matched the SMILES molecule
208: ok 331 # SMARTS matched the SMILES molecule
208: ok 332 # SMARTS matched the SMILES molecule
208: ok 333 # SMARTS matched the SMILES molecule
208: ok 334 # SMARTS matched the SMILES molecule
208: ok 335 # SMARTS matched the SMILES molecule
208: ok 336 # SMARTS matched the SMILES molecule
208: ok 337 # SMARTS matched the SMILES molecule
208: ok 338 # SMARTS matched the SMILES molecule
208: ok 339 # SMARTS matched the SMILES molecule
208: ok 340 # SMARTS matched the SMILES molecule
208: ok 341 # SMARTS matched the SMILES molecule
208: ok 342 # SMARTS matched the SMILES molecule
208: ok 343 # SMARTS matched the SMILES molecule
208: ok 344 # SMARTS matched the SMILES molecule
208: ok 345 # SMARTS matched the SMILES molecule
208: ok 346 # SMARTS matched the SMILES molecule
208: ok 347 # SMARTS matched the SMILES molecule
208: ok 348 # SMARTS matched the SMILES molecule
208: ok 349 # SMARTS matched the SMILES molecule
208: ok 350 # SMARTS matched the SMILES molecule
208: ok 351 # SMARTS matched the SMILES molecule
208: ok 352 # SMARTS matched the SMILES molecule
208: ok 353 # SMARTS matched the SMILES molecule
208: ok 354 # SMARTS matched the SMILES molecule
208: ok 355 # SMARTS matched the SMILES molecule
208: ok 356 # SMARTS matched the SMILES molecule
208: ok 357 # SMARTS matched the SMILES molecule
208: ok 358 # SMARTS matched the SMILES molecule
208: ok 359 # SMARTS matched the SMILES molecule
208: ok 360 # SMARTS matched the SMILES molecule
208: ok 361 # SMARTS matched the SMILES molecule
208: ok 362 # SMARTS matched the SMILES molecule
208: ok 363 # SMARTS matched the SMILES molecule
208: ok 364 # SMARTS matched the SMILES molecule
208: ok 365 # SMARTS matched the SMILES molecule
208: ok 366 # SMARTS matched the SMILES molecule
208: ok 367 # SMARTS matched the SMILES molecule
208: ok 368 # SMARTS matched the SMILES molecule
208: ok 369 # SMARTS matched the SMILES molecule
208: ok 370 # SMARTS matched the SMILES molecule
208: ok 371 # SMARTS matched the SMILES molecule
208: ok 372 # SMARTS matched the SMILES molecule
208: ok 373 # SMARTS matched the SMILES molecule
208: ok 374 # SMARTS matched the SMILES molecule
208: ok 375 # SMARTS matched the SMILES molecule
208: ok 376 # SMARTS matched the SMILES molecule
208: ok 377 # SMARTS matched the SMILES molecule
208: ok 378 # SMARTS matched the SMILES molecule
208: ok 379 # SMARTS matched the SMILES molecule
208: ok 380 # SMARTS matched the SMILES molecule
208: ok 381 # SMARTS matched the SMILES molecule
208: ok 382 # SMARTS matched the SMILES molecule
208: ok 383 # SMARTS matched the SMILES molecule
208: ok 384 # SMARTS matched the SMILES molecule
208: ok 385 # SMARTS matched the SMILES molecule
208: ok 386 # SMARTS matched the SMILES molecule
208: ok 387 # SMARTS matched the SMILES molecule
208: ok 388 # SMARTS matched the SMILES molecule
208: ok 389 # SMARTS matched the SMILES molecule
208: ok 390 # SMARTS matched the SMILES molecule
208: ok 391 # SMARTS matched the SMILES molecule
208: ok 392 # SMARTS matched the SMILES molecule
208: ok 393 # SMARTS matched the SMILES molecule
208: ok 394 # SMARTS matched the SMILES molecule
208: ok 395 # SMARTS matched the SMILES molecule
208: ok 396 # SMARTS matched the SMILES molecule
208: ok 397 # SMARTS matched the SMILES molecule
208: ok 398 # SMARTS matched the SMILES molecule
208: ok 399 # SMARTS matched the SMILES molecule
208: ok 400 # SMARTS matched the SMILES molecule
208: ok 401 # SMARTS matched the SMILES molecule
208: ok 402 # SMARTS matched the SMILES molecule
208: ok 403 # SMARTS matched the SMILES molecule
208: ok 404 # SMARTS matched the SMILES molecule
208: ok 405 # SMARTS matched the SMILES molecule
208: ok 406 # SMARTS matched the SMILES molecule
208: ok 407 # SMARTS matched the SMILES molecule
208: ok 408 # SMARTS matched the SMILES molecule
208: ok 409 # SMARTS matched the SMILES molecule
208: ok 410 # SMARTS matched the SMILES molecule
208: ok 411 # SMARTS matched the SMILES molecule
208: ok 412 # SMARTS matched the SMILES molecule
208: ok 413 # SMARTS matched the SMILES molecule
208: ok 414 # SMARTS matched the SMILES molecule
208: ok 415 # SMARTS matched the SMILES molecule
208: ok 416 # SMARTS matched the SMILES molecule
208: ok 417 # SMARTS matched the SMILES molecule
208: ok 418 # SMARTS matched the SMILES molecule
208: ok 419 # SMARTS matched the SMILES molecule
208: ok 420 # SMARTS matched the SMILES molecule
208: ok 421 # SMARTS matched the SMILES molecule
208: ok 422 # SMARTS matched the SMILES molecule
208: ok 423 # SMARTS matched the SMILES molecule
208: ok 424 # SMARTS matched the SMILES molecule
208: ok 425 # SMARTS matched the SMILES molecule
208: ok 426 # SMARTS matched the SMILES molecule
208: ok 427 # SMARTS matched the SMILES molecule
208: ok 428 # SMARTS matched the SMILES molecule
208: ok 429 # SMARTS matched the SMILES molecule
208: ok 430 # SMARTS matched the SMILES molecule
208: ok 431 # SMARTS matched the SMILES molecule
208: ok 432 # SMARTS matched the SMILES molecule
208: ok 433 # SMARTS matched the SMILES molecule
208: ok 434 # SMARTS matched the SMILES molecule
208: ok 435 # SMARTS matched the SMILES molecule
208: ok 436 # SMARTS matched the SMILES molecule
208: ok 437 # SMARTS matched the SMILES molecule
208: ok 438 # SMARTS matched the SMILES molecule
208: ok 439 # SMARTS matched the SMILES molecule
208: ok 440 # SMARTS matched the SMILES molecule
208: ok 441 # SMARTS matched the SMILES molecule
208: ok 442 # SMARTS matched the SMILES molecule
208: ok 443 # SMARTS matched the SMILES molecule
208: ok 444 # SMARTS matched the SMILES molecule
208: ok 445 # SMARTS matched the SMILES molecule
208: ok 446 # SMARTS matched the SMILES molecule
208: ok 447 # SMARTS matched the SMILES molecule
208: ok 448 # SMARTS matched the SMILES molecule
208: ok 449 # SMARTS matched the SMILES molecule
208: ok 450 # SMARTS matched the SMILES molecule
208: ok 451 # SMARTS matched the SMILES molecule
208: ok 452 # SMARTS matched the SMILES molecule
208: ok 453 # SMARTS matched the SMILES molecule
208: ok 454 # SMARTS matched the SMILES molecule
208: ok 455 # SMARTS matched the SMILES molecule
208: ok 456 # SMARTS matched the SMILES molecule
208: ok 457 # SMARTS matched the SMILES molecule
208: ok 458 # SMARTS matched the SMILES molecule
208: ok 459 # SMARTS matched the SMILES molecule
208: ok 460 # SMARTS matched the SMILES molecule
208: ok 461 # SMARTS matched the SMILES molecule
208: ok 462 # SMARTS matched the SMILES molecule
208: ok 463 # SMARTS matched the SMILES molecule
208: ok 464 # SMARTS matched the SMILES molecule
208: ok 465 # SMARTS matched the SMILES molecule
208: ok 466 # SMARTS matched the SMILES molecule
208: ok 467 # SMARTS matched the SMILES molecule
208: ok 468 # SMARTS matched the SMILES molecule
208: ok 469 # SMARTS matched the SMILES molecule
208: ok 470 # SMARTS matched the SMILES molecule
208: ok 471 # SMARTS matched the SMILES molecule
208: ok 472 # SMARTS matched the SMILES molecule
208: ok 473 # SMARTS matched the SMILES molecule
208: ok 474 # SMARTS matched the SMILES molecule
208: ok 475 # SMARTS matched the SMILES molecule
208: ok 476 # SMARTS matched the SMILES molecule
208: ok 477 # SMARTS matched the SMILES molecule
208: ok 478 # SMARTS matched the SMILES molecule
208: ok 479 # SMARTS matched the SMILES molecule
208: ok 480 # SMARTS matched the SMILES molecule
208: ok 481 # SMARTS matched the SMILES molecule
208: ok 482 # SMARTS matched the SMILES molecule
208: ok 483 # SMARTS matched the SMILES molecule
208: ok 484 # SMARTS matched the SMILES molecule
208: ok 485 # SMARTS matched the SMILES molecule
208: ok 486 # SMARTS matched the SMILES molecule
208: ok 487 # SMARTS matched the SMILES molecule
208: ok 488 # SMARTS matched the SMILES molecule
208: ok 489 # SMARTS matched the SMILES molecule
208: ok 490 # SMARTS matched the SMILES molecule
208: ok 491 # SMARTS matched the SMILES molecule
208: ok 492 # SMARTS matched the SMILES molecule
208: ok 493 # SMARTS matched the SMILES molecule
208: ok 494 # SMARTS matched the SMILES molecule
208: ok 495 # SMARTS matched the SMILES molecule
208: ok 496 # SMARTS matched the SMILES molecule
208: ok 497 # SMARTS matched the SMILES molecule
208: ok 498 # SMARTS matched the SMILES molecule
208: ok 499 # SMARTS matched the SMILES molecule
208: ok 500 # SMARTS matched the SMILES molecule
208: ok 501 # SMARTS matched the SMILES molecule
208: ok 502 # SMARTS matched the SMILES molecule
208: ok 503 # SMARTS matched the SMILES molecule
208: ok 504 # SMARTS matched the SMILES molecule
208: ok 505 # SMARTS matched the SMILES molecule
208: ok 506 # SMARTS matched the SMILES molecule
208: ok 507 # SMARTS matched the SMILES molecule
208: ok 508 # SMARTS matched the SMILES molecule
208: ok 509 # SMARTS matched the SMILES molecule
208: ok 510 # SMARTS matched the SMILES molecule
208: ok 511 # SMARTS matched the SMILES molecule
208: ok 512 # SMARTS matched the SMILES molecule
208: ok 513 # SMARTS matched the SMILES molecule
208: ok 514 # SMARTS matched the SMILES molecule
208: ok 515 # SMARTS matched the SMILES molecule
208: ok 516 # SMARTS matched the SMILES molecule
208: ok 517 # SMARTS matched the SMILES molecule
208: ok 518 # SMARTS matched the SMILES molecule
208: ok 519 # SMARTS matched the SMILES molecule
208: ok 520 # SMARTS matched the SMILES molecule
208: ok 521 # SMARTS matched the SMILES molecule
208: ok 522 # SMARTS matched the SMILES molecule
208: ok 523 # SMARTS matched the SMILES molecule
208: ok 524 # SMARTS matched the SMILES molecule
208: ok 525 # SMARTS matched the SMILES molecule
208: ok 526 # SMARTS matched the SMILES molecule
208: ok 527 # SMARTS matched the SMILES molecule
208: ok 528 # SMARTS matched the SMILES molecule
208: ok 529 # SMARTS matched the SMILES molecule
208: ok 530 # SMARTS matched the SMILES molecule
208: ok 531 # SMARTS matched the SMILES molecule
208: ok 532 # SMARTS matched the SMILES molecule
208: ok 533 # SMARTS matched the SMILES molecule
208: ok 534 # SMARTS matched the SMILES molecule
208: ok 535 # SMARTS matched the SMILES molecule
208: ok 536 # SMARTS matched the SMILES molecule
208: ok 537 # SMARTS matched the SMILES molecule
208: ok 538 # SMARTS matched the SMILES molecule
208: ok 539 # SMARTS matched the SMILES molecule
208: ok 540 # SMARTS matched the SMILES molecule
208: ok 541 # SMARTS matched the SMILES molecule
208: ok 542 # SMARTS matched the SMILES molecule
208: ok 543 # SMARTS matched the SMILES molecule
208: ok 544 # SMARTS matched the SMILES molecule
208: ok 545 # SMARTS matched the SMILES molecule
208: ok 546 # SMARTS matched the SMILES molecule
208: ok 547 # SMARTS matched the SMILES molecule
208: ok 548 # SMARTS matched the SMILES molecule
208: ok 549 # SMARTS matched the SMILES molecule
208: ok 550 # SMARTS matched the SMILES molecule
208: ok 551 # SMARTS matched the SMILES molecule
208: ok 552 # SMARTS matched the SMILES molecule
208: ok 553 # SMARTS matched the SMILES molecule
208: ok 554 # SMARTS matched the SMILES molecule
208: ok 555 # SMARTS matched the SMILES molecule
208: ok 556 # SMARTS matched the SMILES molecule
208: ok 557 # SMARTS matched the SMILES molecule
208: ok 558 # SMARTS matched the SMILES molecule
208: ok 559 # SMARTS matched the SMILES molecule
183:     angle   ( -4.840,  -2.593,   0.483)  ( -4.839,  -2.592,   0.483)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.066,  -0.914,  -1.669)  ( -0.066,  -0.914,  -1.669)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.609,  -0.569,  -0.456)  (  0.609,  -0.569,  -0.456)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.897,   2.477,   1.772)  (  4.897,   2.477,   1.772)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 52       ( -2.339,   0.741,   1.932)  ( -2.338,   0.742,   1.935)  ( 0.04,  0.05,  0.15)
183:     bond    ( -0.579,   0.431,  -1.609)  ( -0.579,   0.431,  -1.606)  ( 0.02,  0.01,  0.17)
183:     angle   ( -0.609,   2.084,   0.779)  ( -0.609,   2.085,   0.779)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.098,   0.859,   1.399)  (  0.098,   0.859,   1.399)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.384,  -0.338,   0.048)  ( -0.384,  -0.338,   0.048)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.864,  -2.295,   1.315)  ( -0.864,  -2.295,   1.315)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 53       (  0.056,  -1.491,   2.539)  (  0.057,  -1.489,   2.541)  ( 0.01,  0.13,  0.06)
183:     bond    ( -1.594,   2.825,   2.595)  ( -1.593,   2.827,   2.597)  ( 0.03,  0.05,  0.05)
183:     angle   ( -1.514,  -2.295,   1.569)  ( -1.514,  -2.295,   1.569)  ( 0.03,  0.01,  0.02)
183:     strbnd  (  0.494,  -0.602,  -2.308)  (  0.494,  -0.602,  -2.308)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.240,  -0.042,   0.806)  (  1.240,  -0.042,   0.806)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.431,  -1.377,  -0.123)  (  1.431,  -1.377,  -0.123)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 54       ( -1.751,  -1.353,   0.152)  ( -1.750,  -1.352,   0.155)  ( 0.04,  0.06,  0.05)
183:     bond    ( -0.353,   0.090,   4.018)  ( -0.353,   0.090,   4.021)  ( 0.00,  0.00,  0.08)
183:     angle   ( -0.173,  -0.584,  -0.002)  ( -0.173,  -0.583,  -0.002)  ( 0.01,  0.04,  0.00)
183:     strbnd  (  0.100,  -0.938,  -1.958)  (  0.100,  -0.938,  -1.958)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.477,  -0.328,  -0.122)  ( -1.476,  -0.328,  -0.122)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.153,   0.407,  -1.784)  (  0.153,   0.407,  -1.784)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 55       ( -0.691,  -0.566,  -0.526)  ( -0.688,  -0.566,  -0.525)  ( 0.22,  0.04,  0.04)
183:     bond    ( -0.658,  -0.057,  -0.193)  ( -0.655,  -0.057,  -0.193)  ( 0.21,  0.00,  0.01)
183:     angle   (  0.205,  -4.548,   0.655)  (  0.205,  -4.547,   0.655)  ( 0.00,  0.01,  0.03)
183:     strbnd  ( -0.169,  -0.573,  -0.356)  ( -0.169,  -0.573,  -0.356)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.064,   0.110,  -0.250)  (  0.064,   0.110,  -0.250)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.132,   4.501,  -0.381)  ( -0.132,   4.502,  -0.381)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 56       ( -1.939,  -2.205,   0.809)  ( -1.938,  -2.204,   0.812)  ( 0.03,  0.03,  0.27)
183:     bond    ( -0.033,  -0.223,  -1.036)  ( -0.033,  -0.223,  -1.033)  ( 0.00,  0.00,  0.31)
183:     angle   (  0.267,  -3.200,   0.682)  (  0.267,  -3.200,   0.682)  ( 0.01,  0.02,  0.00)
183:     strbnd  (  0.445,  -0.392,   0.323)  (  0.445,  -0.392,   0.323)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.267,  -0.189,   0.049)  ( -0.267,  -0.189,   0.049)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.350,   1.799,   0.791)  ( -2.350,   1.799,   0.791)  ( 0.00,  0.00,  0.00)
208: ok 560 # SMARTS matched the SMILES molecule
208: ok 561 # SMARTS matched the SMILES molecule
208: ok 562 # SMARTS matched the SMILES molecule
208: ok 563 # SMARTS matched the SMILES molecule
208: ok 564 # SMARTS matched the SMILES molecule
208: ok 565 # SMARTS matched the SMILES molecule
208: ok 566 # SMARTS matched the SMILES molecule
208: ok 567 # SMARTS matched the SMILES molecule
208: ok 568 # SMARTS matched the SMILES molecule
208: ok 569 # SMARTS matched the SMILES molecule
208: ok 570 # SMARTS matched the SMILES molecule
208: ok 571 # SMARTS matched the SMILES molecule
208: ok 572 # SMARTS matched the SMILES molecule
208: ok 573 # SMARTS matched the SMILES molecule
208: ok 574 # SMARTS matched the SMILES molecule
208: ok 575 # SMARTS matched the SMILES molecule
208: ok 576 # SMARTS matched the SMILES molecule
208: ok 577 # SMARTS matched the SMILES molecule
208: ok 578 # SMARTS matched the SMILES molecule
208: ok 579 # SMARTS matched the SMILES molecule
208: ok 580 # SMARTS matched the SMILES molecule
208: ok 581 # SMARTS matched the SMILES molecule
208: ok 582 # SMARTS matched the SMILES molecule
208: ok 583 # SMARTS matched the SMILES molecule
208: ok 584 # SMARTS matched the SMILES molecule
208: ok 585 # SMARTS matched the SMILES molecule
208: ok 586 # SMARTS matched the SMILES molecule
208: ok 587 # SMARTS matched the SMILES molecule
208: ok 588 # SMARTS matched the SMILES molecule
208: ok 589 # SMARTS matched the SMILES molecule
208: ok 590 # SMARTS matched the SMILES molecule
208: ok 591 # SMARTS matched the SMILES molecule
208: ok 592 # SMARTS matched the SMILES molecule
208: ok 593 # SMARTS matched the SMILES molecule
208: ok 594 # SMARTS matched the SMILES molecule
208: ok 595 # SMARTS matched the SMILES molecule
208: ok 596 # SMARTS matched the SMILES molecule
208: ok 597 # SMARTS matched the SMILES molecule
208: ok 598 # SMARTS matched the SMILES molecule
208: ok 599 # SMARTS matched the SMILES molecule
208: ok 600 # SMARTS matched the SMILES molecule
208: ok 601 # SMARTS matched the SMILES molecule
208: ok 602 # SMARTS matched the SMILES molecule
208: ok 603 # SMARTS matched the SMILES molecule
208: ok 604 # SMARTS matched the SMILES molecule
208: ok 605 # SMARTS matched the SMILES molecule
208: ok 606 # SMARTS matched the SMILES molecule
208: ok 607 # SMARTS matched the SMILES molecule
208: ok 608 # SMARTS matched the SMILES molecule
208: ok 609 # SMARTS matched the SMILES molecule
208: ok 610 # SMARTS matched the SMILES molecule
208: ok 611 # SMARTS matched the SMILES molecule
208: ok 612 # SMARTS matched the SMILES molecule
208: ok 613 # SMARTS matched the SMILES molecule
208: ok 614 # SMARTS matched the SMILES molecule
208: ok 615 # SMARTS matched the SMILES molecule
208: ok 616 # SMARTS matched the SMILES molecule
208: ok 617 # SMARTS matched the SMILES molecule
208: ok 618 # SMARTS matched the SMILES molecule
208: ok 619 # SMARTS matched the SMILES molecule
208: ok 620 # SMARTS matched the SMILES molecule
208: ok 621 # SMARTS matched the SMILES molecule
208: ok 622 # SMARTS matched the SMILES molecule
208: ok 623 # SMARTS matched the SMILES molecule
208: ok 624 # SMARTS matched the SMILES molecule
208: ok 625 # SMARTS matched the SMILES molecule
208: ok 626 # SMARTS matched the SMILES molecule
208: ok 627 # SMARTS matched the SMILES molecule
208: ok 628 # SMARTS matched the SMILES molecule
208: ok 629 # SMARTS matched the SMILES molecule
208: ok 630 # SMARTS matched the SMILES molecule
208: ok 631 # SMARTS matched the SMILES molecule
208: ok 632 # SMARTS matched the SMILES molecule
208: ok 633 # SMARTS matched the SMILES molecule
208: ok 634 # SMARTS matched the SMILES molecule
208: ok 635 # SMARTS matched the SMILES molecule
208: ok 636 # SMARTS matched the SMILES molecule
208: ok 637 # SMARTS matched the SMILES molecule
208: ok 638 # SMARTS matched the SMILES molecule
208: ok 639 # SMARTS matched the SMILES molecule
208: ok 640 # SMARTS matched the SMILES molecule
208: ok 641 # SMARTS matched the SMILES molecule
208: ok 642 # SMARTS matched the SMILES molecule
208: ok 643 # SMARTS matched the SMILES molecule
208: ok 644 # SMARTS matched the SMILES molecule
208: ok 645 # SMARTS matched the SMILES molecule
208: ok 646 # SMARTS matched the SMILES molecule
208: ok 647 # SMARTS matched the SMILES molecule
208: ok 648 # SMARTS matched the SMILES molecule
208: ok 649 # SMARTS matched the SMILES molecule
208: ok 650 # SMARTS matched the SMILES molecule
208: ok 651 # SMARTS matched the SMILES molecule
208: ok 652 # SMARTS matched the SMILES molecule
208: ok 653 # SMARTS matched the SMILES molecule
208: ok 654 # SMARTS matched the SMILES molecule
208: ok 655 # SMARTS matched the SMILES molecule
208: ok 656 # SMARTS matched the SMILES molecule
208: ok 657 # SMARTS matched the SMILES molecule
208: ok 658 # SMARTS matched the SMILES molecule
208: ok 659 # SMARTS matched the SMILES molecule
208: ok 660 # SMARTS matched the SMILES molecule
208: ok 661 # SMARTS matched the SMILES molecule
208: ok 662 # SMARTS matched the SMILES molecule
208: ok 663 # SMARTS matched the SMILES molecule
208: ok 664 # SMARTS matched the SMILES molecule
208: ok 665 # SMARTS matched the SMILES molecule
208: ok 666 # SMARTS matched the SMILES molecule
208: ok 667 # SMARTS matched the SMILES molecule
208: ok 668 # SMARTS matched the SMILES molecule
208: ok 669 # SMARTS matched the SMILES molecule
208: ok 670 # SMARTS matched the SMILES molecule
208: ok 671 # SMARTS matched the SMILES molecule
208: ok 672 # SMARTS matched the SMILES molecule
208: ok 673 # SMARTS matched the SMILES molecule
208: ok 674 # SMARTS matched the SMILES molecule
208: ok 675 # SMARTS matched the SMILES molecule
208: ok 676 # SMARTS matched the SMILES molecule
208: ok 677 # SMARTS matched the SMILES molecule
208: ok 678 # SMARTS matched the SMILES molecule
208: ok 679 # SMARTS matched the SMILES molecule
208: ok 680 # SMARTS matched the SMILES molecule
208: ok 681 # SMARTS matched the SMILES molecule
208: ok 682 # SMARTS matched the SMILES molecule
208: ok 683 # SMARTS matched the SMILES molecule
208: ok 684 # SMARTS matched the SMILES molecule
208: ok 685 # SMARTS matched the SMILES molecule
208: ok 686 # SMARTS matched the SMILES molecule
208: ok 687 # SMARTS matched the SMILES molecule
208: ok 688 # SMARTS matched the SMILES molecule
208: ok 689 # SMARTS matched the SMILES molecule
208: ok 690 # SMARTS matched the SMILES molecule
208: ok 691 # SMARTS matched the SMILES molecule
208: ok 692 # SMARTS matched the SMILES molecule
208: ok 693 # SMARTS matched the SMILES molecule
208: ok 694 # SMARTS matched the SMILES molecule
208: ok 695 # SMARTS matched the SMILES molecule
208: ok 696 # SMARTS matched the SMILES molecule
208: ok 697 # SMARTS matched the SMILES molecule
208: ok 698 # SMARTS matched the SMILES molecule
208: ok 699 # SMARTS matched the SMILES molecule
208: ok 700 # SMARTS matched the SMILES molecule
208: ok 701 # SMARTS matched the SMILES molecule
208: ok 702 # SMARTS matched the SMILES molecule
208: ok 703 # SMARTS matched the SMILES molecule
208: ok 704 # SMARTS matched the SMILES molecule
208: ok 705 # SMARTS matched the SMILES molecule
208: ok 706 # SMARTS matched the SMILES molecule
208: ok 707 # SMARTS matched the SMILES molecule
208: ok 708 # SMARTS matched the SMILES molecule
208: ok 709 # SMARTS matched the SMILES molecule
208: ok 710 # SMARTS matched the SMILES molecule
208: ok 711 # SMARTS matched the SMILES molecule
208: ok 712 # SMARTS matched the SMILES molecule
208: ok 713 # SMARTS matched the SMILES molecule
208: ok 714 # SMARTS matched the SMILES molecule
208: ok 715 # SMARTS matched the SMILES molecule
208: ok 716 # SMARTS matched the SMILES molecule
208: ok 717 # SMARTS matched the SMILES molecule
208: ok 718 # SMARTS matched the SMILES molecule
208: ok 719 # SMARTS matched the SMILES molecule
208: ok 720 # SMARTS matched the SMILES molecule
208: ok 721 # SMARTS matched the SMILES molecule
208: ok 722 # SMARTS matched the SMILES molecule
208: ok 723 # SMARTS matched the SMILES molecule
208: ok 724 # SMARTS matched the SMILES molecule
208: ok 725 # SMARTS matched the SMILES molecule
208: ok 726 # SMARTS matched the SMILES molecule
208: ok 727 # SMARTS matched the SMILES molecule
208: ok 728 # SMARTS matched the SMILES molecule
208: ok 729 # SMARTS matched the SMILES molecule
208: ok 730 # SMARTS matched the SMILES molecule
208: ok 731 # SMARTS matched the SMILES molecule
208: ok 732 # SMARTS matched the SMILES molecule
208: ok 733 # SMARTS matched the SMILES molecule
208: ok 734 # SMARTS matched the SMILES molecule
208: ok 735 # SMARTS matched the SMILES molecule
208: ok 736 # SMARTS matched the SMILES molecule
208: ok 737 # SMARTS matched the SMILES molecule
208: ok 738 # SMARTS matched the SMILES molecule
208: ok 739 # SMARTS matched the SMILES molecule
208: ok 740 # SMARTS matched the SMILES molecule
208: ok 741 # SMARTS matched the SMILES molecule
208: ok 742 # SMARTS matched the SMILES molecule
208: ok 743 # SMARTS matched the SMILES molecule
208: ok 744 # SMARTS matched the SMILES molecule
208: ok 745 # SMARTS matched the SMILES molecule
208: ok 746 # SMARTS matched the SMILES molecule
208: ok 747 # SMARTS matched the SMILES molecule
208: ok 748 # SMARTS matched the SMILES molecule
208: ok 749 # SMARTS matched the SMILES molecule
208: ok 750 # SMARTS matched the SMILES molecule
208: ok 751 # SMARTS matched the SMILES molecule
208: ok 752 # SMARTS matched the SMILES molecule
208: ok 753 # SMARTS matched the SMILES molecule
208: ok 754 # SMARTS matched the SMILES molecule
208: ok 755 # SMARTS matched the SMILES molecule
208: ok 756 # SMARTS matched the SMILES molecule
208: ok 757 # SMARTS matched the SMILES molecule
208: ok 758 # SMARTS matched the SMILES molecule
208: ok 759 # SMARTS matched the SMILES molecule
208: ok 760 # SMARTS matched the SMILES molecule
208: ok 761 # SMARTS matched the SMILES molecule
208: ok 762 # SMARTS matched the SMILES molecule
208: ok 763 # SMARTS matched the SMILES molecule
208: ok 764 # SMARTS matched the SMILES molecule
208: ok 765 # SMARTS matched the SMILES molecule
208: ok 766 # SMARTS matched the SMILES molecule
208: ok 767 # SMARTS matched the SMILES molecule
208: ok 768 # SMARTS matched the SMILES molecule
208: ok 769 # SMARTS matched the SMILES molecule
208: ok 770 # SMARTS matched the SMILES molecule
208: ok 771 # SMARTS matched the SMILES molecule
208: ok 772 # SMARTS matched the SMILES molecule
208: ok 773 # SMARTS matched the SMILES molecule
208: ok 774 # SMARTS matched the SMILES molecule
208: ok 775 # SMARTS matched the SMILES molecule
208: ok 776 # SMARTS matched the SMILES molecule
208: ok 777 # SMARTS matched the SMILES molecule
208: ok 778 # SMARTS matched the SMILES molecule
208: ok 779 # SMARTS matched the SMILES molecule
208: ok 780 # SMARTS matched the SMILES molecule
208: ok 781 # SMARTS matched the SMILES molecule
208: ok 782 # SMARTS matched the SMILES molecule
208: ok 783 # SMARTS matched the SMILES molecule
208: ok 784 # SMARTS matched the SMILES molecule
208: ok 785 # SMARTS matched the SMILES molecule
208: ok 786 # SMARTS matched the SMILES molecule
208: ok 787 # SMARTS matched the SMILES molecule
208: ok 788 # SMARTS matched the SMILES molecule
208: ok 789 # SMARTS matched the SMILES molecule
208: ok 790 # SMARTS matched the SMILES molecule
208: ok 791 # SMARTS matched the SMILES molecule
208: ok 792 # SMARTS matched the SMILES molecule
208: ok 793 # SMARTS matched the SMILES molecule
208: ok 794 # SMARTS matched the SMILES molecule
208: ok 795 # SMARTS matched the SMILES molecule
208: ok 796 # SMARTS matched the SMILES molecule
208: ok 797 # SMARTS matched the SMILES molecule
208: ok 798 # SMARTS matched the SMILES molecule
208: ok 799 # SMARTS matched the SMILES molecule
208: ok 800 # SMARTS matched the SMILES molecule
208: ok 801 # SMARTS matched the SMILES molecule
208: ok 802 # SMARTS matched the SMILES molecule
208: ok 803 # SMARTS matched the SMILES molecule
208: ok 804 # SMARTS matched the SMILES molecule
208: ok 805 # SMARTS matched the SMILES molecule
208: ok 806 # SMARTS matched the SMILES molecule
208: ok 807 # SMARTS matched the SMILES molecule
208: ok 808 # SMARTS matched the SMILES molecule
208: ok 809 # SMARTS matched the SMILES molecule
208: ok 810 # SMARTS matched the SMILES molecule
208: ok 811 # SMARTS matched the SMILES molecule
208: ok 812 # SMARTS matched the SMILES molecule
208: ok 813 # SMARTS matched the SMILES molecule
208: ok 814 # SMARTS matched the SMILES molecule
208: ok 815 # SMARTS matched the SMILES molecule
208: ok 816 # SMARTS matched the SMILES molecule
208: ok 817 # SMARTS matched the SMILES molecule
208: ok 818 # SMARTS matched the SMILES molecule
208: ok 819 # SMARTS matched the SMILES molecule
208: ok 820 # SMARTS matched the SMILES molecule
208: ok 821 # SMARTS matched the SMILES molecule
208: ok 822 # SMARTS matched the SMILES molecule
208: ok 823 # SMARTS matched the SMILES molecule
208: ok 824 # SMARTS matched the SMILES molecule
208: ok 825 # SMARTS matched the SMILES molecule
208: ok 826 # SMARTS matched the SMILES molecule
208: ok 827 # SMARTS matched the SMILES molecule
208: ok 828 # SMARTS matched the SMILES molecule
208: ok 829 # SMARTS matched the SMILES molecule
208: ok 830 # SMARTS matched the SMILES molecule
208: ok 831 # SMARTS matched the SMILES molecule
208: ok 832 # SMARTS matched the SMILES molecule
208: ok 833 # SMARTS matched the SMILES molecule
208: ok 834 # SMARTS matched the SMILES molecule
208: ok 835 # SMARTS matched the SMILES molecule
208: ok 836 # SMARTS matched the SMILES molecule
208: ok 837 # SMARTS matched the SMILES molecule
208: ok 838 # SMARTS matched the SMILES molecule
208: ok 839 # SMARTS matched the SMILES molecule
208: ok 840 # SMARTS matched the SMILES molecule
208: ok 841 # SMARTS matched the SMILES molecule
208: ok 842 # SMARTS matched the SMILES molecule
208: ok 843 # SMARTS matched the SMILES molecule
208: ok 844 # SMARTS matched the SMILES molecule
208: ok 845 # SMARTS matched the SMILES molecule
208: ok 846 # SMARTS matched the SMILES molecule
208: ok 847 # SMARTS matched the SMILES molecule
208: ok 848 # SMARTS matched the SMILES molecule
208: ok 849 # SMARTS matched the SMILES molecule
208: ok 850 # SMARTS matched the SMILES molecule
208: ok 851 # SMARTS matched the SMILES molecule
208: ok 852 # SMARTS matched the SMILES molecule
208: ok 853 # SMARTS matched the SMILES molecule
208: ok 854 # SMARTS matched the SMILES molecule
208: ok 855 # SMARTS matched the SMILES molecule
208: ok 856 # SMARTS matched the SMILES molecule
208: ok 857 # SMARTS matched the SMILES molecule
208: ok 858 # SMARTS matched the SMILES molecule
208: ok 859 # SMARTS matched the SMILES molecule
208: ok 860 # SMARTS matched the SMILES molecule
208: ok 861 # SMARTS matched the SMILES molecule
208: ok 862 # SMARTS matched the SMILES molecule
208: ok 863 # SMARTS matched the SMILES molecule
208: ok 864 # SMARTS matched the SMILES molecule
208: ok 865 # SMARTS matched the SMILES molecule
208: ok 866 # SMARTS matched the SMILES molecule
208: ok 867 # SMARTS matched the SMILES molecule
208: ok 868 # SMARTS matched the SMILES molecule
208: ok 869 # SMARTS matched the SMILES molecule
208: ok 870 # SMARTS matched the SMILES molecule
208: ok 871 # SMARTS matched the SMILES molecule
208: ok 872 # SMARTS matched the SMILES molecule
208: ok 873 # SMARTS matched the SMILES molecule
208: ok 874 # SMARTS matched the SMILES molecule
208: ok 875 # SMARTS matched the SMILES molecule
208: ok 876 # SMARTS matched the SMILES molecule
208: ok 877 # SMARTS matched the SMILES molecule
208: ok 878 # SMARTS matched the SMILES molecule
208: ok 879 # SMARTS matched the SMILES molecule
208: ok 880 # SMARTS matched the SMILES molecule
208: ok 881 # SMARTS matched the SMILES molecule
208: ok 882 # SMARTS matched the SMILES molecule
208: ok 883 # SMARTS matched the SMILES molecule
208: ok 884 # SMARTS matched the SMILES molecule
208: ok 885 # SMARTS matched the SMILES molecule
208: ok 886 # SMARTS matched the SMILES molecule
208: ok 887 # SMARTS matched the SMILES molecule
208: ok 888 # SMARTS matched the SMILES molecule
208: ok 889 # SMARTS matched the SMILES molecule
208: ok 890 # SMARTS matched the SMILES molecule
208: ok 891 # SMARTS matched the SMILES molecule
208: ok 892 # SMARTS matched the SMILES molecule
208: ok 893 # SMARTS matched the SMILES molecule
208: ok 894 # SMARTS matched the SMILES molecule
208: ok 895 # SMARTS matched the SMILES molecule
208: ok 896 # SMARTS matched the SMILES molecule
208: ok 897 # SMARTS matched the SMILES molecule
208: ok 898 # SMARTS matched the SMILES molecule
208: ok 899 # SMARTS matched the SMILES molecule
208: ok 900 # SMARTS matched the SMILES molecule
208: ok 901 # SMARTS matched the SMILES molecule
208: ok 902 # SMARTS matched the SMILES molecule
208: ok 903 # SMARTS matched the SMILES molecule
208: ok 904 # SMARTS matched the SMILES molecule
208: ok 905 # SMARTS matched the SMILES molecule
208: ok 906 # SMARTS matched the SMILES molecule
208: ok 907 # SMARTS matched the SMILES molecule
208: ok 908 # SMARTS matched the SMILES molecule
208: ok 909 # SMARTS matched the SMILES molecule
208: ok 910 # SMARTS matched the SMILES molecule
208: ok 911 # SMARTS matched the SMILES molecule
208: ok 912 # SMARTS matched the SMILES molecule
208: ok 913 # SMARTS matched the SMILES molecule
208: ok 914 # SMARTS matched the SMILES molecule
208: ok 915 # SMARTS matched the SMILES molecule
208: ok 916 # SMARTS matched the SMILES molecule
208: ok 917 # SMARTS matched the SMILES molecule
208: ok 918 # SMARTS matched the SMILES molecule
208: ok 919 # SMARTS matched the SMILES molecule
208: ok 920 # SMARTS matched the SMILES molecule
208: ok 921 # SMARTS matched the SMILES molecule
208: ok 922 # SMARTS matched the SMILES molecule
208: ok 923 # SMARTS matched the SMILES molecule
208: ok 924 # SMARTS matched the SMILES molecule
208: ok 925 # SMARTS matched the SMILES molecule
208: ok 926 # SMARTS matched the SMILES molecule
208: ok 927 # SMARTS matched the SMILES molecule
208: ok 928 # SMARTS matched the SMILES molecule
208: ok 929 # SMARTS matched the SMILES molecule
208: ok 930 # SMARTS matched the SMILES molecule
208: ok 931 # SMARTS matched the SMILES molecule
208: ok 932 # SMARTS matched the SMILES molecule
208: ok 933 # SMARTS matched the SMILES molecule
208: ok 934 # SMARTS matched the SMILES molecule
208: ok 935 # SMARTS matched the SMILES molecule
208: ok 936 # SMARTS matched the SMILES molecule
208: ok 937 # SMARTS matched the SMILES molecule
208: ok 938 # SMARTS matched the SMILES molecule
208: ok 939 # SMARTS matched the SMILES molecule
208: ok 940 # SMARTS matched the SMILES molecule
208: ok 941 # SMARTS matched the SMILES molecule
208: ok 942 # SMARTS matched the SMILES molecule
208: ok 943 # SMARTS matched the SMILES molecule
208: ok 944 # SMARTS matched the SMILES molecule
208: ok 945 # SMARTS matched the SMILES molecule
208: ok 946 # SMARTS matched the SMILES molecule
208: ok 947 # SMARTS matched the SMILES molecule
208: ok 948 # SMARTS matched the SMILES molecule
208: ok 949 # SMARTS matched the SMILES molecule
208: ok 950 # SMARTS matched the SMILES molecule
208: ok 951 # SMARTS matched the SMILES molecule
208: ok 952 # SMARTS matched the SMILES molecule
208: ok 953 # SMARTS matched the SMILES molecule
208: ok 954 # SMARTS matched the SMILES molecule
208: ok 955 # SMARTS matched the SMILES molecule
208: ok 956 # SMARTS matched the SMILES molecule
208: ok 957 # SMARTS matched the SMILES molecule
208: ok 958 # SMARTS matched the SMILES molecule
208: ok 959 # SMARTS matched the SMILES molecule
208: ok 960 # SMARTS matched the SMILES molecule
208: ok 961 # SMARTS matched the SMILES molecule
208: ok 962 # SMARTS matched the SMILES molecule
208: ok 963 # SMARTS matched the SMILES molecule
208: ok 964 # SMARTS matched the SMILES molecule
208: ok 965 # SMARTS matched the SMILES molecule
208: ok 966 # SMARTS matched the SMILES molecule
208: ok 967 # SMARTS matched the SMILES molecule
208: ok 968 # SMARTS matched the SMILES molecule
208: ok 969 # SMARTS matched the SMILES molecule
208: ok 970 # SMARTS matched the SMILES molecule
208: ok 971 # SMARTS matched the SMILES molecule
208: ok 972 # SMARTS matched the SMILES molecule
208: ok 973 # SMARTS matched the SMILES molecule
208: ok 974 # SMARTS matched the SMILES molecule
208: ok 975 # SMARTS matched the SMILES molecule
208: ok 976 # SMARTS matched the SMILES molecule
208: ok 977 # SMARTS matched the SMILES molecule
208: ok 978 # SMARTS matched the SMILES molecule
208: ok 979 # SMARTS matched the SMILES molecule
208: ok 980 # SMARTS matched the SMILES molecule
208: ok 981 # SMARTS matched the SMILES molecule
208: ok 982 # SMARTS matched the SMILES molecule
208: ok 983 # SMARTS matched the SMILES molecule
208: ok 984 # SMARTS matched the SMILES molecule
208: ok 985 # SMARTS matched the SMILES molecule
208: ok 986 # SMARTS matched the SMILES molecule
208: ok 987 # SMARTS matched the SMILES molecule
208: ok 988 # SMARTS matched the SMILES molecule
208: ok 989 # SMARTS matched the SMILES molecule
208: ok 990 # SMARTS matched the SMILES molecule
208: ok 991 # SMARTS matched the SMILES molecule
208: ok 992 # SMARTS matched the SMILES molecule
208: ok 993 # SMARTS matched the SMILES molecule
208: ok 994 # SMARTS matched the SMILES molecule
208: 1..994
205/229 Test #208: test_smilesmatch_1 ...............   Passed    4.99 sec
test 209
        Start 209: test_unitcell_1

209: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "unitcell" "1"
209: Environment variables: 
209:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
209:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
209: Test timeout computed to be: 1500
179:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
179:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
179:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
179:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
179:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
179:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
179:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
179:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
179:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
179:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
179:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
179:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
179:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
179:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
179:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
179:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
179:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
179:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
179:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
179:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
179:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
179:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
179:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
179: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
179:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
179:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
179:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
179:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
179:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
179: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
179:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
179:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
179:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
179:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
179:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
179:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
179: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
209: # Testing unit cell transformations ...
209: 1..12
209: ok 1 # a distance
209: ok 2 # b distance
209: ok 3 # c distance
209: ok 4 # alpha angle
209: ok 5 # beta angle
209: ok 6 # gamma angle
209: ok 7 # a distance
209: ok 8 # b distance
209: ok 9 # c distance
209: ok 10 # a angle
209: ok 11 # beta angle
209: ok 12 # gamma angle
209: # Testing unit cell coordinate functions ...
209: 13..24
209: ok 13 # wrapped cartesian x
209: ok 14 # wrapped cartesian y
209: ok 15 # wrapped cartesian z
209: ok 16 # wrapped fractional x
209: ok 17 # wrapped fractional y
209: ok 18 # wrapped fractional z
209: ok 19 # cart2frac x
209: ok 20 # cart2frac y
209: ok 21 # cart2frac z
209: ok 22 # frac2cart x
209: ok 23 # frac2cart y
209: ok 24 # frac2cart z
209: # cell volume 45.64
209: # lattice type 2
209: # cell volume 45.64
209: # lattice type 2
206/229 Test #209: test_unitcell_1 ..................   Passed    0.09 sec
test 210
        Start 210: test_cmlreadfile_1

210: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_runner "cmlreadfile" "1"
210: Environment variables: 
210:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
210:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
210: Test timeout computed to be: 1500
179:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
179:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
179:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
179:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
179:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
179:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
179:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
179:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
179: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
179:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
179:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
179:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
179:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
179:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
179:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
179: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
179:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
179:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
179:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
179:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
179:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
179: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
179:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
179:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
179:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.402,  -1.143,  -0.094)  ( -0.402,  -1.143,  -0.094)  ( 0.00,  0.00,  0.00)
181: 18       ( 44.261,  -1.248,   2.232)  ( 44.256,  -1.222,   2.354)  ( 0.01,  2.10,  5.48)
181:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
181:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
181:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
181:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
181:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.312,   0.403,  -0.093)  ( -0.312,   0.403,  -0.093)  ( 0.00,  0.00,  0.00)
181: 19       ( 68.488,  18.064,  -0.270)  ( 68.513,  18.028,  -0.566)  ( 0.04,  0.20,  8.00)
181:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
181:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
181:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.746,  -0.175,   0.203)  ( -0.746,  -0.175,   0.203)  ( 0.00,  0.00,  0.00)
181: 20       (-65.552,   0.344,  -2.838)  (-65.559,   0.376,  -2.670)  ( 0.01,  1.10,  5.94)
181:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
181:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
181:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
181:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
181:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
181:     electro (  1.485,  -0.911,   1.301)  (  1.485,  -0.911,   1.301)  ( 0.00,  0.00,  0.00)
181: 21       (-46.009, -33.491,   1.964)  (-46.011, -33.467,   2.085)  ( 0.00,  0.07,  6.12)
181:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
181:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
181:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
181:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
181:     electro ( -5.357,  -0.507,   0.512)  ( -5.357,  -0.507,   0.512)  ( 0.00,  0.00,  0.00)
181: 22       ( -3.034,   3.423,  -0.273)  ( -3.032,   3.427,  -0.272)  ( 0.09,  0.12,  0.01)
181:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
181:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
181:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
181:     electro (  9.975,  -0.305,  -0.094)  (  9.975,  -0.305,  -0.094)  ( 0.00,  0.00,  0.00)
181: 23       (  1.091,  -0.357,  -0.060)  (  1.092,  -0.357,  -0.050)  ( 0.01,  0.00,  0.06)
181:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
210: # Unit tests for OBMol 
210: ok 1
210: ok 2!
210: ok 3!
210: ok 4!
210: ok 5!
210: 1..5
179:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
179:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
179:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
179:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
179:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
179:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
179:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
179:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
179:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
179:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
179:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
179:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
179:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
207/229 Test #210: test_cmlreadfile_1 ...............   Passed    0.81 sec
test 211
        Start 211: inchiSamples.sdf_Test

211: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_inchiwrite "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/Samples.sdf" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/Samples.sdf.txt"
211: Environment variables: 
211:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
211:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
211: Test timeout computed to be: 1500
181:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
181:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
181:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.799,  -0.659,  -0.215)  ( -0.799,  -0.659,  -0.215)  ( 0.00,  0.00,  0.00)
181: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
181:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
181:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
181:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
181:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
181:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
181:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
181:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
181:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
181:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
181:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
181:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
181:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
181:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
181:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
181:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
181:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
181:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
181:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
181:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
181:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
181:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
181:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
181:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
181:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
181:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
181:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
181:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
181:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
181:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
181:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  1.750,  -1.226,   0.260)  (  1.752,  -1.223,   0.261)  ( 0.10,  0.24,  0.04)
181:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
181:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
181:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
181:     electro (  0.674,   0.126,   0.022)  (  0.674,   0.126,   0.022)  ( 0.00,  0.00,  0.00)
181: 36       ( -1.808,   0.308,  -0.348)  ( -1.805,   0.309,  -0.348)  ( 0.20,  0.02,  0.00)
181:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
181:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
181:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
181:     electro (  0.777,  -0.150,   0.089)  (  0.777,  -0.150,   0.089)  ( 0.00,  0.00,  0.00)
181: 37       ( -1.444,   1.619,  -0.423)  ( -1.443,   1.622,  -0.422)  ( 0.07,  0.20,  0.08)
181:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
181:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
181:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.014,  -0.594,   0.068)  ( -0.014,  -0.594,   0.068)  ( 0.00,  0.00,  0.00)
181: 38       (  0.288,   1.218,  -0.020)  (  0.290,   1.221,  -0.017)  ( 0.05,  0.25,  0.01)
181:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
181:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
181:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.298,   1.817,  -0.456)  ( -1.298,   1.817,  -0.456)  ( 0.00,  0.00,  0.00)
181: 39       (  4.199, -12.580,   1.746)  (  4.207, -12.584,   1.687)  ( 0.18,  0.03,  3.36)
181:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
181:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
181:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
181:     electro ( -6.258,   3.484,  -0.293)  ( -6.258,   3.484,  -0.293)  ( 0.00,  0.00,  0.00)
181: ok 28 # gradients 
181: ok 29 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
211: ==============================
211: *** Open Babel Warning  in InChI code
211:   2Ferrocene :Accepted unusual valence(s): Fe(10); C(5); C-1(4);
179:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
179:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
179:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
179:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
179:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
179:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
179: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
179:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
179:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
179:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
179:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
179:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
179:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
179: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
179:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
179:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
179:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
179:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
179:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
179: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
179:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
179:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
179:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
179:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 57       ( -0.222,  -0.711,   1.702)  ( -0.221,  -0.708,   1.703)  ( 0.02,  0.16,  0.07)
183:     bond    ( -1.423,  -3.015,   1.849)  ( -1.423,  -3.013,   1.849)  ( 0.03,  0.07,  0.04)
183:     angle   (  1.191,  -0.586,  -0.038)  (  1.192,  -0.586,  -0.038)  ( 0.04,  0.01,  0.00)
183:     strbnd  (  0.927,   0.636,  -0.840)  (  0.927,   0.636,  -0.840)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.670,   0.208,   0.854)  (  0.670,   0.208,   0.854)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.587,   2.046,  -0.123)  ( -1.587,   2.046,  -0.123)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 58       ( -1.065,  -1.279,  -1.213)  ( -1.063,  -1.277,  -1.212)  ( 0.14,  0.19,  0.05)
183:     bond    ( -0.341,   0.461,   0.108)  ( -0.340,   0.463,   0.108)  ( 0.04,  0.10,  0.00)
183:     angle   ( -2.386,  -1.529,  -0.965)  ( -2.386,  -1.529,  -0.964)  ( 0.01,  0.01,  0.04)
183:     strbnd  ( -0.455,  -0.647,  -0.480)  ( -0.455,  -0.647,  -0.480)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.014,   0.020,  -0.041)  (  0.014,   0.020,  -0.041)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.104,   0.416,   0.164)  (  2.104,   0.416,   0.164)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 59       ( -1.070,  -1.140,  -0.343)  ( -1.069,  -1.138,  -0.342)  ( 0.10,  0.20,  0.03)
183:     bond    ( -1.369,  -2.487,   1.248)  ( -1.368,  -2.484,   1.248)  ( 0.05,  0.09,  0.04)
183:     angle   ( -1.624,   0.072,  -1.636)  ( -1.623,   0.072,  -1.636)  ( 0.03,  0.00,  0.03)
183:     strbnd  ( -0.372,   0.804,  -0.765)  ( -0.372,   0.804,  -0.765)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.290,   0.448,   0.574)  ( -0.290,   0.448,   0.574)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.584,   0.022,   0.237)  (  2.584,   0.022,   0.237)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 60       ( -0.358,  -1.910,  -0.423)  ( -0.357,  -1.909,  -0.420)  ( 0.02,  0.03,  0.14)
183:     bond    (  0.061,  -0.358,  -2.470)  (  0.061,  -0.358,  -2.467)  ( 0.00,  0.00,  0.13)
183:     angle   ( -2.334,  -1.222,   0.119)  ( -2.334,  -1.222,   0.119)  ( 0.02,  0.04,  0.00)
183:     strbnd  ( -0.879,   0.068,   0.565)  ( -0.879,   0.068,   0.565)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.016,  -0.218,   0.032)  (  0.016,  -0.218,   0.032)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.778,  -0.179,   1.331)  (  2.778,  -0.179,   1.331)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 61       ( -1.170,  -0.189,   0.037)  ( -1.168,  -0.188,   0.038)  ( 0.25,  0.01,  0.00)
183:     bond    ( -0.428,  -0.103,  -0.175)  ( -0.426,  -0.103,  -0.175)  ( 0.12,  0.00,  0.01)
183:     angle   ( -0.331,  -3.245,   2.709)  ( -0.331,  -3.244,   2.710)  ( 0.00,  0.01,  0.02)
183:     strbnd  ( -0.890,  -0.655,   0.505)  ( -0.890,  -0.655,   0.505)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.146,   0.349,   0.151)  ( -0.146,   0.349,   0.152)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.626,   3.464,  -3.153)  (  0.626,   3.464,  -3.153)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 62       ( -1.757,   0.318,   0.260)  ( -1.756,   0.322,   0.261)  ( 0.03,  0.11,  0.02)
183:     bond    (  0.021,   0.242,  -0.008)  (  0.021,   0.246,  -0.008)  ( 0.00,  0.08,  0.00)
183:     angle   (  2.576,  -0.098,   3.676)  (  2.576,  -0.098,   3.677)  ( 0.02,  0.00,  0.01)
211: ==============================
211: *** Open Babel Warning  in InChI code
211:   cancel_charges :Charges neutralized
211: ==============================
211: *** Open Babel Warning  in InChI code
211:   cuneane :Ambiguous stereo: center(s)
211: ==============================
211: *** Open Babel Warning  in InChI code
211:   trad :Accepted unusual valence(s): O-1,d(2); H,t(1)
211: 1..41
211:  # molecules converted
211: ok 1 # InChI matched expected
211: ok 2 # InChI matched expected
211: ok 3 # InChI matched expected
211: ok 4 # InChI matched expected
211: ok 5 # InChI matched expected
211: ok 6 # InChI matched expected
211: ok 7 # InChI matched expected
211: ok 8 # InChI matched expected
211: ok 9 # InChI matched expected
211: ok 10 # ignored empty InChI
211: ok 11 # ignored empty InChI
211: ok 12 # ignored empty InChI
211: ok 13 # InChI matched expected
211: ok 14 # InChI matched expected
211: ok 15 # InChI matched expected
211: ok 16 # InChI matched expected
211: ok 17 # InChI matched expected
211: ok 18 # InChI matched expected
211: ok 19 # InChI matched expected
211: ok 20 # InChI matched expected
211: ok 21 # InChI matched expected
211: ok 22 # InChI matched expected
211: ok 23 # InChI matched expected
211: ok 24 # InChI matched expected
211: ok 25 # InChI matched expected
211: ok 26 # InChI matched expected
211: ok 27 # ignored empty InChI
211: ok 28 # ignored empty InChI
211: ok 29 # InChI matched expected
211: ok 30 # InChI matched expected
211: ok 31 # InChI matched expected
211: ok 32 # InChI matched expected
211: ok 33 # InChI matched expected
211: ok 34 # InChI matched expected
211: ok 35 # InChI matched expected
211: ok 36 # InChI matched expected
211: ok 37 # InChI matched expected
211: ok 38 # InChI matched expected
211: ok 39 # InChI matched expected
211: ok 40 # InChI matched expected
211: ok 41 # InChI matched expected
211: 36 molecules compared
211: # 5 # empty molecules skipped
211: 0 failures
208/229 Test #211: inchiSamples.sdf_Test ............   Passed    2.15 sec
test 212
        Start 212: inchiSamplesTechMan.sdf_Test

212: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_inchiwrite "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/SamplesTechMan.sdf" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/SamplesTechMan.sdf.txt"
212: Environment variables: 
212:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
212:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
212: Test timeout computed to be: 1500
181:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
181:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
181:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
181:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
181:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
181:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
181:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
181:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  3       ( -1.587,  40.280, -47.662)  ( -1.722,  39.405, -48.005)  ( 8.54,  2.17,  0.72)
181:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
181:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
181:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
181:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
181:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.424,   0.339,  -0.373)  ( -0.424,   0.339,  -0.373)  ( 0.00,  0.00,  0.00)
181:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
181:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
181:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
181:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (-38.271, -131.602, -55.190)  (-37.474, -129.364, -53.224)  ( 2.08,  1.70,  3.56)
181:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
181:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
181:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
181:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
181:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
181:     electro (  0.375,  -0.497,   0.224)  (  0.375,  -0.497,   0.224)  ( 0.00,  0.00,  0.00)
181:  6       ( 59.513,  60.458,  25.145)  ( 58.727,  59.176,  24.316)  ( 1.32,  2.12,  3.30)
181:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
181:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
181:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
181:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
181:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.290,  -0.682,   0.230)  ( -0.290,  -0.682,   0.230)  ( 0.00,  0.00,  0.00)
181:  7       (-98.956, -30.139,   2.983)  (-97.624, -30.391,   3.584)  ( 1.35,  0.84, 20.16)
181:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
181:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
181:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
181:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
181:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
181:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.650,   0.102,  -0.210)  ( -0.650,   0.102,  -0.210)  ( 0.00,  0.00,  0.00)
181:  8       ( 42.185, -29.144,  98.083)  ( 40.890, -28.721,  95.733)  ( 3.07,  1.45,  2.40)
181:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
181:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
181:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
181:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
181:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.556,   1.815,  -1.528)  ( -1.556,   1.815,  -1.528)  ( 0.00,  0.00,  0.00)
181:  9       ( 32.579,  54.117, -119.425)  ( 31.952,  53.028, -118.703)  ( 1.92,  2.01,  0.60)
181:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
181:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
181:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
181:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
181:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
181:     electro ( -0.274,   0.620,  -0.940)  ( -0.274,   0.620,  -0.940)  ( 0.00,  0.00,  0.00)
181: 10       ( -2.422, -19.944, 132.061)  ( -2.392, -20.229, 130.455)  ( 1.24,  1.43,  1.22)
181:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
181:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
181:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
181:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
181:     electro (  0.579,  -0.306,  -0.390)  (  0.579,  -0.306,  -0.390)  ( 0.00,  0.00,  0.00)
181: 11       ( 47.658, -22.934, -63.453)  ( 37.369, -23.638, -54.855)  (21.59,  3.07, 13.55)
181:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
181:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
181:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
181:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
181:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
181:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
181:     electro (  0.050,   0.975,  -2.276)  (  0.050,   0.975,  -2.276)  ( 0.00,  0.00,  0.00)
181: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
212: ==============================
212: *** Open Babel Warning  in InChI code
212:   Table04 :Salt was disconnected;
212: ==============================
212: *** Open Babel Warning  in InChI code
212:   Table09 :Ambiguous stereo: center(s);
183:     strbnd  (  0.261,   0.641,   0.904)  (  0.261,   0.642,   0.904)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.156,  -0.106,  -0.183)  (  1.156,  -0.106,  -0.183)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.770,  -0.362,  -4.129)  ( -5.770,  -0.362,  -4.129)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 63       ( -1.163,   0.855,  -0.571)  ( -1.161,   0.856,  -0.570)  ( 0.16,  0.08,  0.09)
183:     bond    ( -1.786,   1.024,   1.583)  ( -1.785,   1.024,   1.584)  ( 0.09,  0.05,  0.08)
183:     angle   (  0.428,  -0.094,   0.542)  (  0.428,  -0.094,   0.543)  ( 0.01,  0.00,  0.02)
183:     strbnd  (  0.673,  -0.673,   0.446)  (  0.673,  -0.673,   0.446)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.227,  -0.276,  -0.077)  ( -0.227,  -0.276,  -0.077)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.250,   0.874,  -3.065)  ( -0.250,   0.874,  -3.065)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 64       (  0.790,  -0.989,   0.790)  (  0.793,  -0.989,   0.791)  ( 0.25,  0.06,  0.06)
183:     bond    (  0.666,   0.107,  -0.162)  (  0.670,   0.108,  -0.162)  ( 0.21,  0.00,  0.00)
183:     angle   ( -0.821,  -2.989,  -5.388)  ( -0.821,  -2.989,  -5.387)  ( 0.00,  0.02,  0.01)
183:     strbnd  ( -1.303,  -0.763,  -0.758)  ( -1.303,  -0.763,  -0.758)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.159,  -0.563,   0.283)  (  0.159,  -0.563,   0.283)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.089,   3.218,   6.815)  (  2.089,   3.218,   6.815)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 65       (  1.612,   1.583,  -0.244)  (  1.613,   1.584,  -0.242)  ( 0.09,  0.07,  0.05)
183:     bond    ( -0.305,   0.226,  -0.426)  ( -0.304,   0.227,  -0.424)  ( 0.03,  0.01,  0.08)
183:     angle   (  3.626,  -2.262,  -3.808)  (  3.626,  -2.262,  -3.808)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  0.994,  -1.017,  -0.192)  (  0.994,  -1.017,  -0.192)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.256,   0.264,  -0.043)  (  0.256,   0.264,  -0.043)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.959,   4.372,   4.225)  ( -2.958,   4.372,   4.225)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 66       ( -1.078,   0.552,  -0.760)  ( -1.078,   0.556,  -0.759)  ( 0.06,  0.19,  0.05)
183:     bond    (  0.016,   0.113,   0.003)  (  0.016,   0.116,   0.003)  ( 0.00,  0.04,  0.00)
183:     angle   (  2.563,  -0.264,  -3.412)  (  2.563,  -0.264,  -3.411)  ( 0.02,  0.00,  0.02)
183:     strbnd  (  0.510,   0.950,  -1.109)  (  0.510,   0.950,  -1.109)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.450,   0.067,  -0.151)  ( -0.450,   0.067,  -0.151)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.718,  -0.314,   3.909)  ( -3.717,  -0.314,   3.909)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 67       (  0.335,   0.250,   0.082)  (  0.336,   0.253,   0.082)  ( 0.02,  0.08,  0.00)
183:     bond    (  0.214,  -2.095,   0.090)  (  0.214,  -2.092,   0.090)  ( 0.00,  0.16,  0.00)
183:     angle   (  1.574,   0.246,   1.978)  (  1.575,   0.246,   1.979)  ( 0.04,  0.00,  0.03)
183:     strbnd  ( -0.777,   1.004,   0.844)  ( -0.777,   1.004,   0.844)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.181,  -0.026,  -1.050)  (  0.181,  -0.026,  -1.050)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.857,   1.121,  -1.781)  ( -0.857,   1.121,  -1.781)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
212: ==============================
212: *** Open Babel Warning  in InChI code
212:   Table10 :Ambiguous stereo: center(s)
212: 1..44
212:  # molecules converted
212: ok 1 # InChI matched expected
212: ok 2 # InChI matched expected
212: ok 3 # InChI matched expected
212: ok 4 # InChI matched expected
212: ok 5 # InChI matched expected
212: ok 6 # InChI matched expected
212: ok 7 # InChI matched expected
212: ok 8 # InChI matched expected
212: ok 9 # InChI matched expected
212: ok 10 # InChI matched expected
212: ok 11 # InChI matched expected
212: ok 12 # InChI matched expected
212: ok 13 # InChI matched expected
212: ok 14 # InChI matched expected
212: ok 15 # InChI matched expected
212: ok 16 # InChI matched expected
212: ok 17 # InChI matched expected
212: ok 18 # InChI matched expected
212: ok 19 # InChI matched expected
212: ok 20 # InChI matched expected
212: ok 21 # InChI matched expected
212: ok 22 # InChI matched expected
212: ok 23 # InChI matched expected
212: ok 24 # InChI matched expected
212: ok 25 # InChI matched expected
212: ok 26 # ignored empty InChI
212: ok 27 # InChI matched expected
212: ok 28 # InChI matched expected
212: ok 29 # ignored empty InChI
212: ok 30 # InChI matched expected
212: ok 31 # ignored empty InChI
212: ok 32 # InChI matched expected
212: ok 33 # InChI matched expected
212: ok 34 # ignored empty InChI
212: ok 35 # InChI matched expected
212: ok 36 # InChI matched expected
212: ok 37 # InChI matched expected
212: ok 38 # InChI matched expected
212: ok 39 # ignored empty InChI
212: ok 40 # InChI matched expected
212: ok 41 # InChI matched expected
212: ok 42 # ignored empty InChI
212: ok 43 # ignored empty InChI
212: ok 44 # ignored empty InChI
212: 36 molecules compared
212: # 8 # empty molecules skipped
212: 0 failures
209/229 Test #212: inchiSamplesTechMan.sdf_Test .....   Passed    0.99 sec
test 213
        Start 213: inchiSteffen_PubChem.smi_Test

213: Test command: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/bin/test_inchiwrite "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/Steffen_PubChem.smi" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/test/inchi/Steffen_PubChem.smi.txt"
213: Environment variables: 
213:  BABEL_DATADIR=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/data
213:  LD_LIBRARY_PATH=/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf:
213: Test timeout computed to be: 1500
179:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
179: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
179:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
179:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
179:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
179:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
179:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
179:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
179:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
179:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
179:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
179:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
179:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
179:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
179: ok 30 # gradients 
179: ok 31 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( -0.056,  -0.051,   0.261)  ( -0.002,   0.035,   0.079)  ( 0.30,  0.44,  4.74)
179:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
179:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
179:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
179:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
179:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
179:  2       (  0.014,   0.361,  -0.764)  ( -0.121,   0.105,  -0.143)  ( 0.18,  9.21, 47.41)
179:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
179:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
179:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
179:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
179:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
179:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
179:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
179:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
179:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
179:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
179:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
179:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
179:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.046,  -0.324,   0.524)  (  0.044,  -0.163,   0.161)  ( 0.41,  5.19, 19.00)
179:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
179:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
179:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
213: ==============================
213: *** Open Babel Warning  in InChI code
213:   #6 :Accepted unusual valence(s): C(3);
213: ==============================
213: *** Open Babel Warning  in InChI code
213:   #8 :Salt was disconnected;
213: ==============================
213: *** Open Babel Warning  in InChI code
213:   #30 :Salt was disconnected;
183: 68       (  0.121,   0.190,   0.044)  (  0.122,   0.191,   0.047)  ( 0.01,  0.02,  0.01)
183:     bond    ( -0.946,   0.945,   2.916)  ( -0.946,   0.945,   2.919)  ( 0.03,  0.03,  0.09)
183:     angle   (  2.086,  -0.263,   0.761)  (  2.086,  -0.263,   0.761)  ( 0.03,  0.01,  0.01)
183:     strbnd  (  0.013,  -1.433,  -0.930)  (  0.013,  -1.433,  -0.930)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.192,  -1.114,   0.423)  (  0.192,  -1.114,   0.423)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.224,   2.055,  -3.126)  ( -1.224,   2.055,  -3.126)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 69       (  0.670,   0.306,   0.584)  (  0.671,   0.308,   0.587)  ( 0.08,  0.04,  0.14)
183:     bond    ( -0.089,   0.102,   0.156)  ( -0.088,   0.103,   0.158)  ( 0.01,  0.01,  0.03)
183:     angle   (  0.439,  -2.980,   2.180)  (  0.440,  -2.979,   2.180)  ( 0.02,  0.02,  0.01)
183:     strbnd  (  0.329,   0.312,   1.723)  (  0.329,   0.312,   1.723)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.972,  -0.601,   0.932)  (  0.972,  -0.601,   0.933)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.982,   3.473,  -4.407)  ( -0.982,   3.473,  -4.407)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 70       (  0.106,   0.582,   0.566)  (  0.107,   0.583,   0.568)  ( 0.02,  0.04,  0.13)
183:     bond    (  1.818,  -0.560,   2.482)  (  1.819,  -0.560,   2.484)  ( 0.06,  0.01,  0.08)
183:     angle   ( -0.401,  -1.568,  -0.060)  ( -0.400,  -1.567,  -0.060)  ( 0.01,  0.04,  0.00)
183:     strbnd  ( -0.251,  -0.339,  -2.165)  ( -0.251,  -0.339,  -2.165)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.175,   0.745,   1.028)  ( -1.175,   0.745,   1.028)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.115,   2.304,  -0.719)  (  0.115,   2.304,  -0.719)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 71       (  0.738,   0.197,   0.250)  (  0.741,   0.198,   0.251)  ( 0.20,  0.02,  0.02)
183:     bond    (  1.848,   0.749,  -0.682)  (  1.850,   0.749,  -0.682)  ( 0.14,  0.03,  0.02)
183:     angle   ( -0.676,  -2.968,  -5.094)  ( -0.676,  -2.967,  -5.094)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -1.187,  -1.166,  -0.503)  ( -1.187,  -1.166,  -0.503)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.213,  -0.324,   0.223)  (  0.213,  -0.324,   0.223)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.541,   3.906,   6.307)  (  0.541,   3.906,   6.307)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 72       (  0.699,   1.329,  -0.078)  (  0.701,   1.330,  -0.076)  ( 0.13,  0.05,  0.02)
183:     bond    ( -0.821,   0.235,  -0.916)  ( -0.820,   0.235,  -0.914)  ( 0.12,  0.00,  0.17)
183:     angle   (  3.757,  -0.301,  -3.447)  (  3.757,  -0.301,  -3.447)  ( 0.01,  0.01,  0.01)
183:     strbnd  (  1.187,  -0.802,  -0.115)  (  1.187,  -0.802,  -0.115)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.090,  -0.149,   0.042)  ( -0.090,  -0.149,   0.042)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.334,   2.346,   4.357)  ( -3.333,   2.346,   4.357)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 73       ( -0.259,   0.501,  -0.385)  ( -0.258,   0.505,  -0.385)  ( 0.01,  0.17,  0.02)
183:     bond    ( -0.024,   0.218,  -0.017)  ( -0.024,   0.221,  -0.017)  ( 0.00,  0.07,  0.00)
183:     angle   (  2.747,   0.023,  -3.607)  (  2.748,   0.023,  -3.606)  ( 0.02,  0.00,  0.02)
183:     strbnd  (  0.214,   0.580,  -1.173)  (  0.214,   0.580,  -1.173)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.122,  -0.015,  -0.032)  ( -0.122,  -0.015,  -0.032)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.075,  -0.304,   4.442)  ( -3.075,  -0.304,   4.443)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 74       (  0.137,   2.170,  -1.424)  (  0.139,   2.171,  -1.421)  ( 0.03,  0.04,  0.25)
183:     bond    ( -0.028,  -0.019,  -0.043)  ( -0.027,  -0.018,  -0.040)  ( 0.00,  0.00,  0.01)
183:     angle   (  2.217,   0.907,  -1.911)  (  2.217,   0.907,  -1.911)  ( 0.01,  0.00,  0.01)
183:     strbnd  (  0.644,   0.343,   0.113)  (  0.644,   0.343,   0.113)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.820,   1.602,  -0.191)  ( -0.820,   1.602,  -0.191)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.896,  -0.668,   0.650)  ( -1.896,  -0.668,   0.650)  ( 0.00,  0.00,  0.00)
183:     electro (  0.020,   0.005,  -0.042)  (  0.020,   0.005,  -0.042)  ( 0.00,  0.00,  0.00)
183: ok 22 # gradients 
183: ok 23 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ciprofloxacin.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
179:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
179:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
179:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
179:  7       (  0.163,   0.254,  -0.307)  (  0.096,   0.140,  -0.063)  ( 1.10,  2.91,  7.49)
179:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
179:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
179:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
179:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
179:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
179:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.072,  -0.167,   0.304)  ( -0.035,  -0.084,   0.148)  ( 0.26,  1.38,  4.74)
179:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
179:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
179:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
179:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
179:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.704,  -0.671,  -0.056)  (  0.394,   0.371,   0.139)  (77.26, 69.84,  1.09)
179:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
179:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
179:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
179:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
179:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.145,   0.204,   0.151)  ( -0.062,   0.014,  -0.015)  ( 1.21,  3.88,  2.49)
179:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
179:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
179:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
179:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
179:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
179:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
179:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.193,  -2.395,  -0.387)  (  0.210,  -0.194,   0.018)  ( 7.77, 91.89, 15.69)
179:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
179:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
179:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
179:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
179:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
179:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
179:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
179: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
183:  1       ( -0.390,  -0.080,  -0.086)  ( -0.400,  -0.036,  -0.040)  ( 0.41,  0.35,  0.40)
183:     bond    (  6.718,   6.276,  -0.511)  (  6.723,   6.283,  -0.510)  ( 0.07,  0.11,  0.05)
183:     angle   (  7.350,   2.161,   1.524)  (  7.352,   2.163,   1.524)  ( 0.02,  0.08,  0.00)
183:     strbnd  ( -5.562,  -3.003,  -0.620)  ( -5.562,  -3.004,  -0.620)  ( 0.00,  0.02,  0.00)
183:     torsion (  0.209,  -0.213,  -0.135)  (  0.209,  -0.213,  -0.134)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.102,  -0.210,  -0.295)  (  0.085,  -0.175,  -0.250)  ( 0.17,  0.74,  1.31)
183:     vdw     ( -9.274,  -5.085,  -0.061)  ( -9.274,  -5.085,  -0.061)  ( 0.00,  0.00,  0.00)
183:     electro (  0.067,  -0.005,   0.012)  (  0.067,  -0.005,   0.012)  ( 0.00,  0.00,  0.00)
183:  2       ( -0.546,  -0.957,   0.155)  ( -0.544,  -0.941,   0.181)  ( 0.08,  1.49,  0.40)
183:     bond    (  5.859,  -4.939,   3.180)  (  5.864,  -4.931,   3.182)  ( 0.09,  0.16,  0.04)
183:     angle   ( -5.582,   0.865,  -2.937)  ( -5.580,   0.867,  -2.937)  ( 0.03,  0.13,  0.01)
183:     strbnd  (  3.439,  -2.665,   1.582)  (  3.438,  -2.666,   1.582)  ( 0.02,  0.03,  0.00)
183:     torsion ( -0.645,   0.747,   3.059)  ( -0.645,   0.747,   3.060)  ( 0.01,  0.01,  0.04)
183:     oop     (  0.034,  -0.042,  -0.149)  (  0.029,  -0.036,  -0.126)  ( 0.02,  0.03,  0.35)
183:     vdw     ( -3.802,   4.778,  -4.508)  ( -3.801,   4.778,  -4.508)  ( 0.01,  0.00,  0.00)
183:     electro (  0.151,   0.299,  -0.070)  (  0.151,   0.299,  -0.070)  ( 0.00,  0.00,  0.00)
183:  3       ( -6.918,   4.406,  -3.910)  ( -6.927,   4.418,  -3.755)  ( 0.12,  0.27,  3.97)
183:     bond    (  8.537,   8.504,   0.695)  (  8.543,   8.515,   0.695)  ( 0.06,  0.14,  0.00)
183:     angle   (-28.587,  -3.313,  -5.216)  (-28.584,  -3.311,  -5.216)  ( 0.01,  0.05,  0.00)
183:     strbnd  ( 13.895,   1.569,   1.674)  ( 13.894,   1.567,   1.674)  ( 0.01,  0.12,  0.00)
183:     torsion ( -0.070,   0.291,  -0.883)  ( -0.070,   0.291,  -0.883)  ( 0.00,  0.00,  0.04)
183:     oop     (  0.085,  -0.003,  -0.855)  (  0.070,  -0.003,  -0.700)  ( 0.13,  0.00, 13.23)
183:     vdw     ( -3.152,  -1.167,  -0.567)  ( -3.152,  -1.167,  -0.567)  ( 0.00,  0.00,  0.00)
183:     electro (  2.373,  -1.475,   1.243)  (  2.373,  -1.475,   1.243)  ( 0.00,  0.00,  0.00)
183:  4       (  6.252,  -1.262,   2.485)  (  6.292,  -1.324,   2.319)  ( 0.63,  4.92,  6.70)
183:     bond    (  5.784,   6.960,  -1.839)  (  5.788,   6.969,  -1.837)  ( 0.07,  0.13,  0.11)
183:     angle   (  0.982, -10.064,   4.762)  (  0.983, -10.062,   4.762)  ( 0.17,  0.02,  0.00)
183:     strbnd  (  2.113,   6.313,  -2.390)  (  2.113,   6.312,  -2.391)  ( 0.01,  0.02,  0.01)
183:     torsion (  0.211,  -0.053,  -0.431)  (  0.211,  -0.052,  -0.430)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.201,   0.426,   1.012)  ( -0.167,   0.355,   0.843)  ( 0.68,  3.05, 16.69)
183:     vdw     ( -0.575,  -5.329,   2.147)  ( -0.575,  -5.329,   2.147)  ( 0.00,  0.00,  0.00)
183:     electro ( -2.061,   0.485,  -0.775)  ( -2.061,   0.485,  -0.775)  ( 0.00,  0.00,  0.00)
183:  5       ( -4.110,  -0.366,  -1.743)  ( -4.120,  -0.332,  -1.682)  ( 0.25,  1.24,  3.49)
183:     bond    (  0.169,   6.053,  -2.652)  (  0.169,   6.060,  -2.651)  ( 0.00,  0.13,  0.06)
183:     angle   ( -0.570,  -0.029,  -0.102)  ( -0.569,  -0.029,  -0.102)  ( 0.04,  0.00,  0.00)
183:     strbnd  ( -0.449,  -0.737,   0.244)  ( -0.449,  -0.737,   0.244)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.351,  -0.798,  -1.802)  (  0.351,  -0.798,  -1.802)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.063,  -0.144,  -0.325)  (  0.052,  -0.118,  -0.265)  ( 0.07,  0.38,  1.92)
183:     vdw     ( -5.042,  -4.784,   2.331)  ( -5.041,  -4.784,   2.331)  ( 0.00,  0.00,  0.00)
183:     electro (  1.366,   0.073,   0.563)  (  1.366,   0.073,   0.563)  ( 0.00,  0.00,  0.00)
183:  6       ( -0.304,   0.282,  -0.195)  ( -0.308,   0.313,  -0.130)  ( 0.12,  0.89,  1.29)
183:     bond    ( -0.057,   4.697,  -1.723)  ( -0.052,   4.701,  -1.723)  ( 0.03,  0.10,  0.04)
183:     angle   (  6.722,   9.815,  -3.104)  (  6.724,   9.816,  -3.104)  ( 0.03,  0.02,  0.00)
183:     strbnd  ( -8.096,  -2.087,  -0.459)  ( -8.096,  -2.087,  -0.459)  ( 0.00,  0.00,  0.00)
181:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
181:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
181:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
181:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (-44.560, -77.865, 136.018)  (-23.829, -75.824, 121.163)  (46.52,  2.62, 10.92)
181:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
181:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
181:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
181:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
181:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.568,  -0.188,  -1.665)  ( -0.568,  -0.188,  -1.665)  ( 0.00,  0.00,  0.00)
181: 14       (-73.793,  -5.351, -43.764)  (-74.002,  -4.993, -43.416)  ( 0.28,  6.69,  0.79)
181:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
181:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
181:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
181:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
181:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
181:     electro (  0.489,  -1.787,   2.061)  (  0.489,  -1.787,   2.061)  ( 0.00,  0.00,  0.00)
181: 15       ( 69.217, 103.058, -57.300)  ( 59.276, 101.483, -50.491)  (14.36,  1.53, 11.88)
181:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
181:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
181:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
181:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
181:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.694,  -8.696,   2.316)  ( -4.694,  -8.696,   2.316)  ( 0.00,  0.00,  0.00)
181: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
181:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
181:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
181:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
181:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
181:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
181:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
181:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
181:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
181:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
181:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
181:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
181:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
181:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
181:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
181:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
183:     torsion ( -0.110,   0.259,   0.519)  ( -0.110,   0.259,   0.520)  ( 0.00,  0.00,  0.06)
183:     oop     (  0.071,  -0.161,  -0.404)  (  0.060,  -0.136,  -0.340)  ( 0.08,  0.40,  2.58)
183:     vdw     (  1.049, -12.118,   4.931)  (  1.049, -12.118,   4.931)  ( 0.03,  0.00,  0.00)
183:     electro (  0.117,  -0.122,   0.045)  (  0.117,  -0.122,   0.045)  ( 0.00,  0.00,  0.00)
183:  7       ( -0.202,   0.557,  -0.182)  ( -0.197,   0.570,  -0.158)  ( 0.09,  0.68,  0.44)
183:     bond    (  3.349,  -0.633,   0.565)  (  3.354,  -0.629,   0.566)  ( 0.16,  0.29,  0.05)
183:     angle   ( -2.010,  -5.848,   0.374)  ( -2.008,  -5.846,   0.374)  ( 0.11,  0.04,  0.01)
183:     strbnd  ( -0.379,  -1.736,   0.181)  ( -0.380,  -1.737,   0.181)  ( 0.03,  0.03,  0.00)
183:     torsion ( -0.325,   0.273,   1.507)  ( -0.325,   0.273,   1.508)  ( 0.00,  0.00,  0.09)
183:     oop     (  0.017,  -0.034,  -0.134)  (  0.015,  -0.028,  -0.112)  ( 0.00,  0.02,  0.29)
183:     vdw     ( -0.926,   8.721,  -2.733)  ( -0.925,   8.721,  -2.733)  ( 0.03,  0.00,  0.00)
183:     electro (  0.071,  -0.184,   0.059)  (  0.071,  -0.184,   0.059)  ( 0.00,  0.00,  0.00)
183:  8       ( -1.891,  -0.177,  -0.173)  ( -1.886,  -0.165,  -0.154)  ( 0.25,  0.22,  0.33)
183:     bond    ( -2.335,  12.424,  -4.470)  ( -2.330,  12.429,  -4.470)  ( 0.23,  0.04,  0.02)
183:     angle   ( -1.627,  -0.904,   0.021)  ( -1.626,  -0.902,   0.021)  ( 0.10,  0.16,  0.00)
183:     strbnd  ( -5.052,  -1.205,  -0.263)  ( -5.052,  -1.206,  -0.263)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.060,   0.134,   0.425)  ( -0.060,   0.134,   0.426)  ( 0.00,  0.00,  0.05)
183:     oop     (  0.013,  -0.035,  -0.105)  (  0.011,  -0.030,  -0.088)  ( 0.00,  0.02,  0.18)
183:     vdw     (  6.553, -10.647,   4.170)  (  6.553, -10.647,   4.170)  ( 0.00,  0.00,  0.00)
183:     electro (  0.618,   0.057,   0.050)  (  0.618,   0.057,   0.050)  ( 0.00,  0.00,  0.00)
183:  9       ( -0.774,  -1.950,  -0.631)  ( -0.746,  -1.983,  -0.746)  ( 2.17,  1.69,  7.26)
183:     bond    (  7.584,  -6.522,   1.280)  (  7.590,  -6.517,   1.281)  ( 0.08,  0.07,  0.06)
183:     angle   ( -6.868,  -3.074,   6.963)  ( -6.866,  -3.072,   6.964)  ( 0.03,  0.07,  0.01)
183:     strbnd  ( -1.384,   3.697,  -1.135)  ( -1.385,   3.696,  -1.136)  ( 0.05,  0.02,  0.01)
183:     torsion (  0.914,  -1.383,  -5.636)  (  0.914,  -1.383,  -5.635)  ( 0.00,  0.01,  0.01)
183:     oop     ( -0.133,   0.235,   0.708)  ( -0.112,   0.195,   0.591)  ( 0.28,  0.92,  8.29)
183:     vdw     ( -1.168,   4.392,  -3.048)  ( -1.168,   4.393,  -3.048)  ( 0.00,  0.00,  0.00)
183:     electro (  0.281,   0.705,   0.237)  (  0.281,   0.705,   0.237)  ( 0.00,  0.00,  0.00)
183: 10       ( -0.880,  -1.134,   0.021)  ( -0.875,  -1.120,   0.038)  ( 0.42,  1.22,  0.04)
183:     bond    (  2.250, -21.552,   7.812)  (  2.255, -21.547,   7.813)  ( 0.22,  0.02,  0.01)
183:     angle   (  0.157,  10.838,  -3.791)  (  0.158,  10.840,  -3.791)  ( 0.02,  0.02,  0.01)
183:     strbnd  ( -4.774,   3.240,  -1.394)  ( -4.774,   3.239,  -1.394)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.412,   1.059,   3.327)  ( -0.412,   1.059,   3.328)  ( 0.00,  0.02,  0.04)
183:     oop     (  0.001,  -0.020,  -0.019)  ( -0.000,  -0.013,  -0.004)  ( 0.00,  0.01,  0.03)
183:     vdw     (  1.632,   4.936,  -5.898)  (  1.632,   4.937,  -5.898)  ( 0.01,  0.01,  0.00)
183:     electro (  0.267,   0.365,  -0.016)  (  0.267,   0.365,  -0.016)  ( 0.00,  0.00,  0.00)
183: 11       ( -0.274,  -0.454,  -0.157)  ( -0.317,  -0.358,  -0.074)  ( 1.19,  4.38,  1.30)
183:     bond    (-16.382,  -5.258,  -0.908)  (-16.377,  -5.253,  -0.907)  ( 0.03,  0.09,  0.07)
183:     angle   (-11.115,   1.090,   2.569)  (-11.112,   1.092,   2.569)  ( 0.02,  0.19,  0.01)
183:     strbnd  ( 22.133,   1.950,   2.757)  ( 22.132,   1.949,   2.757)  ( 0.00,  0.03,  0.00)
183:     torsion ( -0.093,   0.026,  -1.627)  ( -0.093,   0.026,  -1.626)  ( 0.00,  0.00,  0.06)
183:     oop     (  0.396,  -0.643,  -0.208)  (  0.346,  -0.553,  -0.127)  ( 2.00,  5.78,  1.67)
183:     vdw     (  4.671,   2.284,  -2.768)  (  4.672,   2.284,  -2.768)  ( 0.00,  0.00,  0.00)
183:     electro (  0.115,   0.097,   0.028)  (  0.115,   0.097,   0.028)  ( 0.00,  0.00,  0.00)
183: 12       ( -0.438,   1.369,  -0.101)  ( -0.434,   1.364,  -0.123)  ( 0.17,  0.40,  0.22)
183:     bond    ( -0.083,  -1.551,   0.585)  ( -0.083,  -1.548,   0.586)  ( 0.00,  0.21,  0.03)
183:     angle   ( -2.409,   0.039,  -0.237)  ( -2.408,   0.039,  -0.237)  ( 0.03,  0.00,  0.00)
183:     strbnd  (  0.317,   2.635,  -1.018)  (  0.317,   2.635,  -1.018)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.335,   0.971,   2.518)  ( -0.335,   0.971,   2.518)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.020,   0.060,   0.155)  ( -0.017,   0.051,   0.132)  ( 0.01,  0.05,  0.36)
183:     vdw     (  1.947,  -0.339,  -2.146)  (  1.947,  -0.339,  -2.146)  ( 0.01,  0.00,  0.00)
183:     electro (  0.146,  -0.445,   0.041)  (  0.146,  -0.445,   0.041)  ( 0.00,  0.00,  0.00)
183: 13       (  1.701,   2.579,  -0.525)  (  1.727,   2.539,  -0.665)  ( 1.54,  1.55,  7.37)
183:     bond    (-10.578,  16.134,  -6.570)  (-10.572,  16.139,  -6.569)  ( 0.06,  0.03,  0.01)
183:     angle   (  3.774,  -9.877,   3.575)  (  3.776,  -9.875,   3.575)  ( 0.06,  0.02,  0.00)
183:     strbnd  (  6.607,   8.014,  -1.786)  (  6.607,   8.014,  -1.786)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.139,  -0.606,  -1.888)  (  0.139,  -0.606,  -1.887)  ( 0.00,  0.01,  0.06)
183:     oop     ( -0.104,   0.267,   0.810)  ( -0.086,   0.220,   0.668)  ( 0.18,  1.25, 11.54)
183:     vdw     (  2.473, -10.532,   5.124)  (  2.473, -10.532,   5.124)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.611,  -0.821,   0.209)  ( -0.611,  -0.821,   0.209)  ( 0.00,  0.00,  0.00)
183: 14       (  0.986,   0.151,  -0.043)  (  0.987,   0.154,  -0.045)  ( 0.11,  0.04,  0.01)
183:     bond    (  0.027,   1.931,  -0.640)  (  0.027,   1.934,  -0.640)  ( 0.00,  0.18,  0.02)
183:     angle   ( -2.454,  -0.061,  -0.290)  ( -2.454,  -0.061,  -0.290)  ( 0.03,  0.00,  0.00)
183:     strbnd  ( -0.157,  -0.599,   0.177)  ( -0.157,  -0.599,   0.177)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.008,  -0.021,  -0.062)  (  0.008,  -0.021,  -0.062)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.002,   0.005,   0.014)  ( -0.001,   0.004,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.894,  -1.054,   0.744)  (  3.894,  -1.054,   0.744)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.330,  -0.049,   0.015)  ( -0.330,  -0.049,   0.015)  ( 0.00,  0.00,  0.00)
183: 15       ( -0.314,   0.296,   0.066)  ( -0.314,   0.306,   0.088)  ( 0.02,  0.27,  0.15)
183:     bond    (  0.221,  -0.141,   0.077)  (  0.224,  -0.139,   0.077)  ( 0.07,  0.02,  0.00)
183:     angle   (  4.781,   6.809,  -1.605)  (  4.781,   6.810,  -1.605)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.896,   1.110,  -0.480)  ( -0.896,   1.110,  -0.480)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.065,  -0.159,  -0.479)  (  0.065,  -0.159,  -0.479)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.019,  -0.046,  -0.139)  (  0.016,  -0.039,  -0.117)  ( 0.01,  0.03,  0.30)
183:     vdw     ( -4.637,  -7.161,   2.713)  ( -4.637,  -7.161,   2.713)  ( 0.00,  0.00,  0.00)
183:     electro (  0.133,  -0.115,  -0.022)  (  0.133,  -0.115,  -0.022)  ( 0.00,  0.00,  0.00)
183: 16       ( 12.569,   0.466,   4.456)  ( 12.606,   0.357,   4.669)  ( 0.29,  5.06,  4.80)
183:     bond    ( 11.932,   3.001,  15.852)  ( 11.937,   3.005,  15.854)  ( 0.04,  0.13,  0.01)
183:     angle   ( 23.478,  14.321,  -5.626)  ( 23.480,  14.322,  -5.625)  ( 0.01,  0.01,  0.02)
183:     strbnd  (-17.338, -10.628,  -0.306)  (-17.339, -10.629,  -0.306)  ( 0.01,  0.01,  0.01)
183:     torsion (  2.457,  -3.717,  -2.036)  (  2.457,  -3.717,  -2.036)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.175,   1.180,  -2.156)  ( -0.144,   1.066,  -1.945)  ( 0.54,  9.63,  9.80)
183:     vdw     ( -3.584,  -3.576,   0.274)  ( -3.584,  -3.576,   0.274)  ( 0.00,  0.00,  0.00)
183:     electro ( -4.202,  -0.115,  -1.547)  ( -4.202,  -0.115,  -1.547)  ( 0.00,  0.00,  0.00)
183: 17       ( -0.127,  -0.381,   0.161)  ( -0.130,  -0.361,   0.202)  ( 0.04,  0.77,  0.67)
183:     bond    ( -1.611,  -0.017,   3.957)  ( -1.609,  -0.012,   3.962)  ( 0.12,  0.01,  0.12)
183:     angle   (  6.180,   1.067,  -5.100)  (  6.182,   1.069,  -5.098)  ( 0.03,  0.17,  0.04)
183:     strbnd  (  0.100,  -7.392,   3.328)  (  0.099,  -7.392,   3.327)  ( 0.00,  0.01,  0.03)
183:     torsion (  0.098,  -0.377,   0.788)  (  0.098,  -0.377,   0.788)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.041,  -0.083,  -0.211)  (  0.034,  -0.069,  -0.175)  ( 0.03,  0.12,  0.75)
179:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
179:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
179:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
179:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
179:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
179: 14       (  3.917,   5.394,   1.410)  ( -0.341,   0.047,  -0.005)  (108.71, 99.13, 100.32)
179:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
179:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
179:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
179:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
179:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
179:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
179:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
179: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
179:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
179:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 16       ( -2.750,  -3.359,  -1.104)  ( -0.093,  -0.188,  -0.129)  (96.60, 94.39, 88.36)
179:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
179:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
179:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
179:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
179:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
179:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
179: 17       (  0.022,  -0.029,  -0.074)  (  0.027,  -0.025,  -0.069)  ( 0.01,  0.01,  0.03)
179:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
179:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
179:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
179:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
181:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
181:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -2.146,  11.421,  -4.557)  ( -2.080,  11.484,  -4.381)  ( 3.09,  0.55,  3.87)
181:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
181:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
181:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
181:     electro (  0.023,   0.386,  -0.243)  (  0.023,   0.386,  -0.243)  ( 0.00,  0.00,  0.00)
181: 26       (  8.264,  -9.314, -14.985)  (  7.913,  -9.070, -14.378)  ( 4.25,  2.62,  4.05)
181:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
181:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
181:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
181:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
181:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
181:     electro (  0.715,   0.236,   0.855)  (  0.715,   0.236,   0.855)  ( 0.00,  0.00,  0.00)
181: 27       ( -9.529,  -0.985,   0.936)  ( -8.994,  -0.277,   0.839)  ( 5.61, 69.82,  9.15)
181:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
181:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
181:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
181:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
181:     electro (  0.953,   0.243,   1.585)  (  0.953,   0.243,   1.585)  ( 0.00,  0.00,  0.00)
181: 28       (-35.688,  35.118, -12.756)  (-35.489,  35.165, -12.454)  ( 0.56,  0.13,  2.37)
181:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
181:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
181:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
181:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.472,   0.102,   0.028)  ( -0.472,   0.102,   0.028)  ( 0.00,  0.00,  0.00)
181: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
181:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
181:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
181:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
181:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
181:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
181:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
181:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
181:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
181:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( 19.334, -14.895, -24.368)  ( 19.332, -14.890, -24.369)  ( 0.01,  0.03,  0.00)
181:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
181:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
181:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
181:     electro (  5.743,   7.338,   0.326)  (  5.743,   7.338,   0.326)  ( 0.00,  0.00,  0.00)
181: ok 30 # gradients 
181: ok 31 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( -0.255,  -0.617,   1.068)  ( -0.201,  -0.530,   0.886)  ( 1.38,  5.33, 17.03)
181:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
181:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
181:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
181:     torsion (  0.468,  -0.938,  -1.518)  (  0.468,  -0.938,  -1.518)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
181:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.746,  -0.859,  -0.471)  ( -0.746,  -0.859,  -0.471)  ( 0.00,  0.00,  0.00)
181:  2       (  0.399,   1.062,  -2.385)  (  0.187,   0.693,  -1.476)  ( 8.42, 34.69, 38.11)
181:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
181:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
181:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
181:     torsion ( -0.041,   0.220,   0.015)  ( -0.041,   0.220,   0.016)  ( 0.00,  0.00,  0.00)
181:     oop     (  1.254,   2.136,  -5.164)  (  1.034,   1.760,  -4.257)  (17.50, 17.63, 17.56)
181:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.559,  -1.556,   1.897)  ( -0.559,  -1.556,   1.897)  ( 0.00,  0.00,  0.00)
181:  3       (  0.099,  -0.104,  -0.377)  (  0.100,  -0.101,  -0.376)  ( 0.01,  0.03,  0.02)
181:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
181:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
181:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.213,   0.132,   0.739)  ( -0.213,   0.132,   0.739)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  4       (  0.072,   0.361,  -0.277)  (  0.073,   0.362,  -0.276)  ( 0.01,  0.05,  0.04)
181:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
181:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
181:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.067,   0.385,  -0.305)  (  0.067,   0.385,  -0.305)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       ( -0.048,   0.159,   0.077)  ( -0.047,   0.160,   0.080)  ( 0.00,  0.01,  0.02)
181:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
181:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
181:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.071,   0.501,   0.170)  ( -0.071,   0.501,   0.170)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  6       ( -0.044,  -0.320,   0.515)  (  0.046,  -0.160,   0.153)  ( 0.39,  5.13, 18.69)
181:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
181:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
181:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.964,   6.311,  -2.568)  ( -4.963,   6.311,  -2.568)  ( 0.00,  0.00,  0.00)
183:     electro (  0.029,   0.109,  -0.034)  (  0.029,   0.109,  -0.034)  ( 0.00,  0.00,  0.00)
183: 18       (  2.026,   0.720,  -0.162)  (  2.029,   0.721,  -0.163)  ( 0.15,  0.06,  0.02)
183:     bond    (  2.427,  -1.578,   1.180)  (  2.429,  -1.577,   1.181)  ( 0.09,  0.06,  0.04)
183:     angle   (  0.938,   1.300,  -0.193)  (  0.938,   1.300,  -0.193)  ( 0.02,  0.03,  0.00)
183:     strbnd  (  0.253,   0.443,  -0.086)  (  0.253,   0.443,  -0.086)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.194,   0.249,   0.730)  ( -0.194,   0.249,   0.731)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.004,   0.005,   0.016)  ( -0.004,   0.005,   0.014)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.726,   0.545,  -1.869)  ( -0.726,   0.545,  -1.869)  ( 0.01,  0.01,  0.00)
183:     electro ( -0.668,  -0.244,   0.060)  ( -0.668,  -0.244,   0.060)  ( 0.00,  0.00,  0.00)
183: 19       (  2.870,   0.328,  -1.984)  (  2.869,   0.381,  -2.042)  ( 0.04,  1.74,  2.90)
183:     bond    ( 14.557,  -7.075, -16.796)  ( 14.561,  -7.071, -16.792)  ( 0.03,  0.06,  0.03)
183:     angle   ( -6.287,   1.336,   9.984)  ( -6.284,   1.338,   9.986)  ( 0.04,  0.15,  0.02)
183:     strbnd  ( -1.105,  -2.672,   1.853)  ( -1.106,  -2.672,   1.852)  ( 0.07,  0.04,  0.04)
183:     torsion ( -2.492,   2.882,  -3.676)  ( -2.492,   2.882,  -3.676)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.033,  -0.539,   0.714)  (  0.027,  -0.492,   0.651)  ( 0.02,  2.58,  4.51)
183:     vdw     ( -0.883,   6.505,   5.249)  ( -0.883,   6.505,   5.250)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.953,  -0.110,   0.686)  ( -0.953,  -0.110,   0.686)  ( 0.00,  0.00,  0.00)
183: 20       (  1.141,   5.323,  -0.149)  (  1.157,   5.345,  -0.248)  ( 1.36,  0.42,  1.47)
183:     bond    ( -3.175,  21.247,  -4.289)  ( -3.171,  21.251,  -4.285)  ( 0.12,  0.02,  0.11)
183:     angle   ( -1.211, -12.477,   2.194)  ( -1.209, -12.475,   2.196)  ( 0.17,  0.02,  0.08)
183:     strbnd  ( -3.415,  -1.229,   2.715)  ( -3.416,  -1.230,   2.715)  ( 0.04,  0.07,  0.01)
183:     torsion ( -0.125,   0.194,   3.424)  ( -0.125,   0.195,   3.424)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.155,  -0.246,   0.892)  ( -0.144,  -0.229,   0.787)  ( 0.17,  0.40,  9.32)
183:     vdw     (  9.608,  -0.387,  -5.167)  (  9.608,  -0.387,  -5.167)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.385,  -1.779,   0.082)  ( -0.385,  -1.779,   0.082)  ( 0.00,  0.00,  0.00)
183: 21       ( -0.002,  -0.008,  -0.022)  (  0.000,  -0.007,  -0.021)  ( 0.00,  0.00,  0.00)
183:     bond    (  1.613,  -1.085,   0.142)  (  1.615,  -1.084,   0.142)  ( 0.14,  0.10,  0.00)
183:     angle   ( -3.259,  -5.157,  -2.297)  ( -3.259,  -5.157,  -2.296)  ( 0.01,  0.01,  0.02)
183:     strbnd  ( -0.614,   0.250,  -1.435)  ( -0.614,   0.250,  -1.435)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.085,   0.141,   0.107)  (  0.085,   0.141,   0.107)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.173,   5.843,   3.461)  (  2.173,   5.843,   3.461)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       (  0.001,   0.003,  -0.029)  (  0.002,   0.004,  -0.025)  ( 0.00,  0.00,  0.01)
183:     bond    ( -0.285,   1.036,  -3.315)  ( -0.285,   1.036,  -3.312)  ( 0.00,  0.03,  0.09)
183:     angle   (  0.181,  -1.068,  -0.350)  (  0.182,  -1.067,  -0.350)  ( 0.01,  0.05,  0.00)
183:     strbnd  (  0.973,  -1.118,   0.103)  (  0.973,  -1.118,   0.103)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.351,  -0.744,  -0.263)  (  0.351,  -0.744,  -0.263)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.220,   1.896,   3.796)  ( -1.220,   1.896,   3.796)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( -0.564,  -2.361,  -0.607)  ( -0.559,  -2.355,  -0.601)  ( 0.27,  0.24,  0.37)
183:     bond    ( -3.127, -17.812,   3.460)  ( -3.123, -17.808,   3.465)  ( 0.13,  0.02,  0.13)
181:     torsion (  0.145,   0.220,  -0.431)  (  0.145,   0.220,  -0.431)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
181:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
181:     electro (  1.620,  13.118,   3.437)  (  1.620,  13.118,   3.437)  ( 0.00,  0.00,  0.00)
181:  7       ( -1.084,  -2.080,   4.678)  ( -0.929,  -1.820,   4.094)  (14.27, 12.52, 12.48)
181:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
181:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
181:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
181:     torsion ( -1.314,  -1.588,   4.757)  ( -1.314,  -1.588,   4.757)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.890,  -1.592,   3.617)  ( -0.742,  -1.338,   3.031)  (13.16, 15.96, 16.21)
181:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
181:     electro (-10.563,   3.402,  -7.378)  (-10.563,   3.402,  -7.378)  ( 0.00,  0.00,  0.00)
181:  8       (  0.362,   0.876,  -1.744)  (  0.339,   0.818,  -1.626)  ( 0.81,  5.07,  6.74)
181:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
181:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
181:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.185,   0.569,  -1.322)  (  0.185,   0.569,  -1.322)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.183,   0.439,  -0.858)  (  0.158,   0.378,  -0.741)  ( 0.46,  2.64, 10.05)
181:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
181:     electro (  1.969,  -3.962,   0.282)  (  1.969,  -3.962,   0.282)  ( 0.00,  0.00,  0.00)
181:  9       ( -0.244,   0.022,  -1.499)  (  0.767,   0.942,  -1.037)  (24.71,  1.98, 30.81)
181:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
181:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
181:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
181:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
181:     oop     ( -4.053,  -4.498,  -2.741)  ( -3.047,  -3.584,  -2.283)  (24.82, 20.32, 16.71)
181:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.410,  -2.746,  -2.761)  ( -4.410,  -2.746,  -2.761)  ( 0.00,  0.00,  0.00)
181: 10       ( -2.185,  -5.140,  -3.398)  ( -2.240,  -4.992,  -3.264)  ( 2.50,  2.89,  3.97)
181:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
181:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
181:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
181:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.874,  -2.291,  -1.521)  ( -0.933,  -2.145,  -1.392)  ( 5.17,  6.34,  8.45)
181:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
181:     electro (  1.227,  -7.208,   4.059)  (  1.227,  -7.208,   4.059)  ( 0.00,  0.00,  0.00)
181: 11       (  3.745,  17.929,   6.367)  (  4.378,  17.893,   6.474)  (16.89,  0.20,  1.69)
181:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
181:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
181:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
181:     torsion (  5.606,  14.261,  -6.736)  (  5.606,  14.261,  -6.736)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.916,   3.215,   0.391)  ( -1.291,   3.177,   0.494)  (32.66,  1.18,  4.02)
181:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
181:     electro ( -2.668,   9.632,   1.310)  ( -2.668,   9.632,   1.309)  ( 0.00,  0.00,  0.00)
181: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
181:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
181:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 13       (  0.009,  -0.036,  -0.036)  (  0.011,  -0.034,  -0.035)  ( 0.00,  0.01,  0.00)
181:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
181:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
181:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.220,   1.563,  -0.030)  ( -0.220,   1.563,  -0.030)  ( 0.00,  0.00,  0.00)
181: 14       (  0.757,  -0.748,   0.385)  ( -3.436,  -5.579,  -1.228)  (317.23, 361.26, 62.00)
181:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
181:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
181:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
181:     torsion ( -1.040,  -7.523,   2.789)  ( -1.040,  -7.523,   2.789)  ( 0.01,  0.00,  0.00)
181:     oop     ( 13.584,  16.275,   6.445)  (  9.386,  11.441,   4.821)  (30.90, 29.70, 25.21)
181:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
181:     electro (  6.757,  -4.401,  -2.789)  (  6.757,  -4.401,  -2.789)  ( 0.00,  0.00,  0.00)
181: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
181:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
181:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 16       ( -2.859,  -3.548,  -1.151)  ( -0.202,  -0.378,  -0.176)  (92.93, 89.34, 84.72)
181:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
181:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
181:     torsion (  1.428,   2.859,   0.669)  (  1.428,   2.859,   0.669)  ( 0.00,  0.00,  0.00)
181:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
181:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
181:     electro (  6.378,   0.602,  -2.858)  (  6.378,   0.602,  -2.858)  ( 0.00,  0.00,  0.00)
181: 17       (  0.002,   0.044,  -0.035)  (  0.007,   0.048,  -0.031)  ( 0.00,  0.02,  0.02)
181:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
181:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
181:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
181:     torsion ( -1.315,  -0.128,  -0.321)  ( -1.315,  -0.128,  -0.321)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
179:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.527,   0.717,   0.247)  ( -0.131,  -0.014,  -0.098)  (20.83, 52.36,  8.52)
179:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
179:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
179:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
179:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
179:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
179:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
179: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
179:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
179:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
179:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
179:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
179:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
179:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
179:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
179:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 21       (  1.073,   0.070,  -0.862)  (  0.111,  -0.108,  -0.067)  (89.62,  1.25, 68.53)
179:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
179:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
179:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
179:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
179:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
179:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
179:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
179: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
179:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
179:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
179:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
179:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
179:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
181:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
181:     electro (  0.078,  -3.732,   1.907)  (  0.078,  -3.732,   1.907)  ( 0.00,  0.00,  0.00)
181: 18       (  1.407,  -7.885,  -2.678)  (  1.645,  -7.234,  -2.828)  (16.96,  8.25,  5.60)
181:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
181:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
181:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
181:     torsion (  2.895,  -5.723,   2.052)  (  2.895,  -5.723,   2.052)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.124,  -3.995,   0.695)  ( -0.890,  -3.350,   0.539)  (20.81, 16.16, 10.85)
181:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
181:     electro ( -7.224,   2.269,  -0.051)  ( -7.224,   2.269,  -0.051)  ( 0.00,  0.00,  0.00)
181: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
181:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
181:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
181:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
181:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
181:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
181:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
181:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
181:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 21       ( -0.137,  -0.079,   0.370)  ( -1.098,  -0.257,   1.165)  (13.13,  1.41, 29.42)
181:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
181:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
181:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
181:     torsion ( -2.717,   0.003,   3.882)  ( -2.716,   0.003,   3.882)  ( 0.00,  0.00,  0.00)
181:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
181:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
181:     electro (  0.780,  -0.889,   2.467)  (  0.780,  -0.889,   2.467)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.007,  -0.027,   0.080)  ( -0.006,  -0.025,   0.082)  ( 0.00,  0.00,  0.02)
181:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
181:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
181:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
181:     torsion ( -2.347,  -0.316,  -0.016)  ( -2.347,  -0.316,  -0.016)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -0.191,  -0.011,   0.189)  (  0.002,   0.035,   0.026)  ( 3.69,  0.05,  3.08)
181:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
181:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
181:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
181:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
181:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
181:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
181: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
181:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
181:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
181:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
181:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
181:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
181:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
181:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
181:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
181:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
181:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
181:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
181:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
181:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
181:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
179:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
179:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
179:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
179:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
179:     electro (  4.057,  -0.227,  -0.032)  (  4.057,  -0.227,  -0.032)  ( 0.00,  0.00,  0.00)
179: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
179:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
179:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
179:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
179:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
179:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
179:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
179:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
179:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
179:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
179:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
179:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
179:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
179:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
179:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
179:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
179:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
179:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
179: 31       ( -0.560,   0.014,   0.551)  ( -0.085,   0.116,   0.170)  (26.59,  0.14, 20.99)
179:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
179:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
179:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
179:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
179:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
179: ok 32 # gradients 
179: ok 33 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
183:     angle   (  0.202,   7.188,  -7.171)  (  0.204,   7.190,  -7.169)  ( 0.04,  0.03,  0.02)
183:     strbnd  (  3.369,  -1.380,  -2.585)  (  3.367,  -1.380,  -2.585)  ( 0.04,  0.05,  0.01)
183:     torsion ( -0.244,   1.380,   2.916)  ( -0.244,   1.381,   2.917)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.952,   7.510,   2.573)  ( -0.952,   7.510,   2.573)  ( 0.00,  0.00,  0.00)
183:     electro (  0.189,   0.752,   0.199)  (  0.189,   0.752,   0.199)  ( 0.00,  0.00,  0.00)
183: 24       (  0.007,  -0.018,  -0.003)  (  0.008,  -0.016,  -0.001)  ( 0.00,  0.00,  0.00)
183:     bond    (  0.060,   1.792,   1.597)  (  0.060,   1.794,   1.599)  ( 0.00,  0.10,  0.09)
183:     angle   ( -3.575,  -1.364,   1.663)  ( -3.575,  -1.363,   1.664)  ( 0.02,  0.02,  0.02)
183:     strbnd  ( -0.521,   0.527,  -1.117)  ( -0.521,   0.527,  -1.117)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.187,  -0.049,   0.048)  (  0.187,  -0.049,   0.048)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.856,  -0.925,  -2.194)  (  3.857,  -0.925,  -2.194)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       ( -2.189,   0.946,   0.748)  ( -2.183,   0.951,   0.754)  ( 0.26,  0.50,  0.41)
183:     bond    (-13.633,   0.941,  12.416)  (-13.629,   0.945,  12.421)  ( 0.03,  0.39,  0.04)
183:     angle   (  2.350,   2.416,  -9.408)  (  2.353,   2.418,  -9.406)  ( 0.09,  0.08,  0.02)
183:     strbnd  (  0.055,   4.163,  -0.501)  (  0.054,   4.162,  -0.502)  ( 0.00,  0.03,  0.04)
183:     torsion (  2.065,  -2.248,   1.183)  (  2.065,  -2.248,   1.183)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.223,  -3.991,  -2.667)  (  6.223,  -3.991,  -2.667)  ( 0.00,  0.00,  0.00)
183:     electro (  0.752,  -0.335,  -0.274)  (  0.752,  -0.335,  -0.274)  ( 0.00,  0.00,  0.00)
183: 26       ( -0.004,  -0.009,   0.017)  ( -0.004,  -0.008,   0.020)  ( 0.00,  0.00,  0.01)
183:     bond    ( -0.508,   1.114,  -2.671)  ( -0.508,   1.115,  -2.668)  ( 0.01,  0.04,  0.10)
183:     angle   ( -3.386,  -1.138,   0.169)  ( -3.386,  -1.138,   0.170)  ( 0.02,  0.04,  0.00)
183:     strbnd  ( -0.285,   1.027,   0.757)  ( -0.285,   1.027,   0.757)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.469,   0.506,   0.301)  ( -0.469,   0.506,   0.301)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.645,  -1.519,   1.461)  (  4.645,  -1.518,   1.461)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       (-12.122,  -7.423,  -2.247)  (-12.117,  -7.418,  -2.244)  ( 0.05,  0.07,  0.13)
183:     bond    (-15.148,  -5.941, -10.039)  (-15.143,  -5.937, -10.037)  ( 0.03,  0.08,  0.02)
183:     angle   ( -5.200,  -8.059,   8.744)  ( -5.198,  -8.058,   8.745)  ( 0.03,  0.02,  0.02)
183:     strbnd  ( -1.543,  -1.202,   1.549)  ( -1.544,  -1.203,   1.548)  ( 0.04,  0.04,  0.03)
183:     torsion ( -0.831,   0.963,  -3.227)  ( -0.831,   0.963,  -3.226)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.577,   4.313,  -0.037)  (  6.577,   4.313,  -0.037)  ( 0.00,  0.00,  0.00)
183:     electro (  4.023,   2.503,   0.763)  (  4.023,   2.503,   0.763)  ( 0.00,  0.00,  0.00)
183: 28       (  0.001,   0.014,  -0.042)  (  0.002,   0.015,  -0.039)  ( 0.00,  0.00,  0.01)
183:     bond    (  0.463,  -1.202,   2.694)  (  0.464,  -1.202,   2.697)  ( 0.00,  0.05,  0.10)
183:     angle   (  0.035,  -0.321,  -0.149)  (  0.036,  -0.320,  -0.149)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -0.222,  -0.567,  -1.132)  ( -0.222,  -0.567,  -1.132)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.438,  -1.586,  -0.782)  (  0.438,  -1.586,  -0.782)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.714,   3.690,  -0.674)  ( -0.714,   3.690,  -0.674)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 29       (  0.008,   0.030,   0.008)  (  0.008,   0.032,   0.009)  ( 0.00,  0.01,  0.00)
183:     bond    ( -0.087,  -1.217,  -1.051)  ( -0.087,  -1.215,  -1.050)  ( 0.00,  0.16,  0.14)
183:     angle   ( -0.252,   0.112,  -0.110)  ( -0.251,   0.113,  -0.110)  ( 0.02,  0.00,  0.00)
183:     strbnd  (  0.115,   0.045,   1.331)  (  0.115,   0.045,   1.331)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.210,   0.236,  -0.255)  ( -0.210,   0.236,  -0.255)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.441,   0.855,   0.093)  (  0.441,   0.855,   0.093)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       ( -0.057,   0.017,   0.002)  ( -0.054,   0.018,   0.002)  ( 0.02,  0.00,  0.00)
183:     bond    ( -1.435,   0.851,  -0.093)  ( -1.433,   0.852,  -0.093)  ( 0.17,  0.08,  0.00)
183:     angle   ( -0.122,  -0.244,  -0.343)  ( -0.122,  -0.243,  -0.342)  ( 0.00,  0.01,  0.02)
183:     strbnd  (  0.598,  -0.582,   1.034)  (  0.598,  -0.582,   1.034)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.027,  -0.078,  -0.298)  ( -0.027,  -0.078,  -0.297)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.930,   0.070,  -0.299)  (  0.930,   0.070,  -0.299)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       (  0.005,  -0.020,   0.028)  (  0.006,  -0.019,   0.031)  ( 0.00,  0.00,  0.01)
183:     bond    (  0.312,  -0.902,   2.849)  (  0.312,  -0.902,   2.852)  ( 0.00,  0.03,  0.11)
183:     angle   ( -0.502,   0.107,   0.089)  ( -0.501,   0.107,   0.089)  ( 0.03,  0.01,  0.00)
183:     strbnd  ( -0.940,   0.677,  -0.469)  ( -0.940,   0.677,  -0.469)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.235,   1.160,   0.502)  ( -1.235,   1.160,   0.502)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.370,  -1.062,  -2.942)  (  2.370,  -1.062,  -2.942)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       (  0.594,   0.396,   0.458)  (  0.597,   0.399,   0.458)  ( 0.16,  0.09,  0.04)
183:     bond    ( -0.021,  -0.018,   0.009)  ( -0.019,  -0.016,   0.009)  ( 0.00,  0.00,  0.00)
183:     angle   ( -0.160,   0.222,   0.062)  ( -0.160,   0.222,   0.062)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -0.521,   0.030,  -0.937)  ( -0.521,   0.030,  -0.938)  ( 0.00,  0.00,  0.01)
183:     torsion (  0.592,  -0.069,   1.057)  (  0.592,  -0.069,   1.057)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.902,   0.369,   0.423)  (  0.902,   0.369,   0.423)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.197,  -0.138,  -0.156)  ( -0.197,  -0.138,  -0.156)  ( 0.00,  0.00,  0.00)
183: 33       ( 11.993,  -9.102,   3.831)  ( 12.004,  -9.096,   3.748)  ( 0.09,  0.07,  2.16)
183:     bond    ( -1.616,  -9.765,   0.189)  ( -1.616,  -9.756,   0.189)  ( 0.01,  0.10,  0.00)
183:     angle   ( 20.636,  -3.367,   2.623)  ( 20.637,  -3.367,   2.623)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.680,   2.049,   0.006)  (  0.680,   2.049,   0.006)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.339,   0.113,   2.931)  ( -0.339,   0.113,   2.931)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.045,   0.015,   0.377)  ( -0.035,   0.012,   0.294)  ( 0.04,  0.00,  3.13)
183:     vdw     ( -3.314,  -1.163,  -1.055)  ( -3.314,  -1.163,  -1.055)  ( 0.00,  0.00,  0.00)
183:     electro ( -4.008,   3.016,  -1.242)  ( -4.008,   3.016,  -1.242)  ( 0.00,  0.00,  0.00)
183: 34       ( -0.062,  -2.957,   1.492)  ( -0.051,  -2.954,   1.456)  ( 0.07,  0.11,  2.40)
183:     bond    ( -3.927,   2.786,  -0.594)  ( -3.921,   2.789,  -0.594)  ( 0.15,  0.13,  0.00)
183:     angle   ( 16.132,  -2.853,   2.371)  ( 16.132,  -2.852,   2.372)  ( 0.00,  0.05,  0.01)
183:     strbnd  ( -0.845,   3.072,  -0.258)  ( -0.845,   3.072,  -0.258)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.144,  -0.049,  -1.174)  (  0.144,  -0.049,  -1.173)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.036,   0.013,   0.294)  ( -0.031,   0.011,   0.258)  ( 0.02,  0.00,  1.06)
183:     vdw     (-11.558,  -6.965,   1.339)  (-11.558,  -6.965,   1.339)  ( 0.00,  0.00,  0.00)
183:     electro (  0.027,   1.039,  -0.487)  (  0.027,   1.039,  -0.487)  ( 0.00,  0.00,  0.00)
183: 35       ( -7.756,   8.365,  -1.689)  ( -7.753,   8.368,  -1.689)  ( 0.05,  0.03,  0.01)
183:     bond    (  0.234,   0.187,   0.015)  (  0.238,   0.189,   0.015)  ( 0.08,  0.04,  0.00)
183:     angle   ( -9.135,  11.640,  -1.684)  ( -9.135,  11.640,  -1.684)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -1.252,  -0.773,  -0.092)  ( -1.252,  -0.773,  -0.092)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.050,  -0.027,  -0.452)  (  0.050,  -0.027,  -0.452)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.204,   0.155,  -0.034)  ( -0.204,   0.155,  -0.034)  ( 0.00,  0.00,  0.00)
183:     electro (  2.552,  -2.816,   0.559)  (  2.552,  -2.816,   0.559)  ( 0.00,  0.00,  0.00)
183: 36       ( -0.111,   1.138,   0.003)  ( -0.104,   1.142,   0.008)  ( 0.07,  0.35,  0.00)
183:     bond    (  1.340,  -4.011,  -2.272)  (  1.346,  -4.008,  -2.268)  ( 0.45,  0.07,  0.18)
183:     angle   ( -1.289,   0.664,   1.982)  ( -1.288,   0.666,   1.984)  ( 0.08,  0.10,  0.10)
183:     strbnd  (  0.232,  -0.792,   0.487)  (  0.231,  -0.793,   0.486)  ( 0.02,  0.03,  0.03)
183:     torsion ( -1.155,   0.195,  -0.282)  ( -1.155,   0.195,  -0.282)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.717,   5.471,   0.093)  (  0.717,   5.471,   0.093)  ( 0.00,  0.00,  0.00)
183:     electro (  0.045,  -0.389,  -0.005)  (  0.045,  -0.389,  -0.005)  ( 0.00,  0.00,  0.00)
183: 37       ( -0.129,   0.971,   0.072)  ( -0.124,   0.976,   0.078)  ( 0.06,  0.47,  0.05)
183:     bond    (  1.435,  -3.700,  -1.718)  (  1.438,  -3.696,  -1.713)  ( 0.27,  0.10,  0.31)
183:     angle   (  0.328,   0.545,   0.556)  (  0.329,   0.546,   0.558)  ( 0.03,  0.08,  0.12)
183:     strbnd  ( -0.069,  -0.300,   0.440)  ( -0.069,  -0.301,   0.439)  ( 0.00,  0.01,  0.04)
183:     torsion (  0.956,   0.601,   0.479)  (  0.956,   0.601,   0.479)  ( 0.01,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.832,   4.136,   0.355)  ( -2.832,   4.136,   0.355)  ( 0.00,  0.00,  0.00)
183:     electro (  0.053,  -0.310,  -0.040)  (  0.053,  -0.310,  -0.040)  ( 0.00,  0.00,  0.00)
183: 38       (  0.456,  -0.099,   0.104)  (  0.457,  -0.097,   0.106)  ( 0.05,  0.01,  0.02)
183:     bond    (  0.435,  -0.767,   0.899)  (  0.435,  -0.766,   0.901)  ( 0.02,  0.11,  0.17)
183:     angle   (  0.496,   0.229,  -0.045)  (  0.496,   0.229,  -0.045)  ( 0.03,  0.00,  0.00)
183:     strbnd  ( -0.157,   0.213,  -0.446)  ( -0.157,   0.213,  -0.446)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.563,  -0.012,  -0.282)  (  0.563,  -0.012,  -0.283)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.724,   0.200,   0.015)  ( -0.724,   0.200,   0.015)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.156,   0.039,  -0.036)  ( -0.156,   0.039,  -0.036)  ( 0.00,  0.00,  0.00)
183: 39       (  0.251,   0.090,  -0.113)  (  0.254,   0.090,  -0.111)  ( 0.05,  0.01,  0.02)
183:     bond    (  0.863,   0.325,  -0.866)  (  0.864,   0.325,  -0.865)  ( 0.15,  0.01,  0.15)
183:     angle   (  0.432,  -1.789,  -0.241)  (  0.433,  -1.789,  -0.241)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.148,  -0.179,   0.111)  ( -0.148,  -0.179,   0.111)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.500,  -0.248,   0.406)  (  0.500,  -0.248,   0.406)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.310,   2.013,   0.436)  ( -1.310,   2.013,   0.436)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.085,  -0.032,   0.042)  ( -0.085,  -0.032,   0.042)  ( 0.00,  0.00,  0.00)
183: 40       ( -0.318,  -0.258,  -0.145)  ( -0.317,  -0.256,  -0.144)  ( 0.04,  0.05,  0.02)
183:     bond    ( -0.592,  -0.813,   0.455)  ( -0.591,  -0.811,   0.456)  ( 0.06,  0.16,  0.03)
183:     angle   ( -0.349,   0.064,  -0.339)  ( -0.348,   0.064,  -0.339)  ( 0.01,  0.00,  0.02)
183:     strbnd  (  0.254,   0.177,  -0.194)  (  0.254,   0.177,  -0.194)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.231,  -0.135,  -0.540)  ( -0.231,  -0.135,  -0.540)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.504,   0.376,   0.413)  (  0.504,   0.376,   0.413)  ( 0.00,  0.00,  0.00)
183:     electro (  0.096,   0.073,   0.060)  (  0.096,   0.073,   0.060)  ( 0.00,  0.00,  0.00)
183: 41       ( -0.173,   0.248,  -0.228)  ( -0.172,   0.248,  -0.225)  ( 0.01,  0.01,  0.08)
183:     bond    ( -0.265,   0.213,  -1.387)  ( -0.265,   0.213,  -1.384)  ( 0.00,  0.00,  0.25)
183:     angle   ( -0.002,  -0.794,  -0.122)  ( -0.001,  -0.793,  -0.122)  ( 0.00,  0.04,  0.00)
183:     strbnd  (  0.104,  -0.149,   0.254)  (  0.104,  -0.149,   0.254)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.534,  -0.473,   0.029)  ( -0.534,  -0.473,   0.029)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.465,   1.537,   0.914)  (  0.465,   1.537,   0.914)  ( 0.00,  0.00,  0.00)
183:     electro (  0.059,  -0.086,   0.083)  (  0.059,  -0.086,   0.083)  ( 0.00,  0.00,  0.00)
183: 42       ( -0.367,   0.133,   0.950)  ( -0.366,   0.134,   0.953)  ( 0.02,  0.01,  0.31)
183:     bond    ( -1.424,  -0.121,   4.422)  ( -1.424,  -0.120,   4.425)  ( 0.03,  0.00,  0.07)
183:     angle   (  0.750,  -1.072,   0.212)  (  0.750,  -1.071,   0.212)  ( 0.02,  0.08,  0.00)
183:     strbnd  (  0.500,  -0.190,  -1.471)  (  0.500,  -0.190,  -1.471)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.246,   0.662,  -0.061)  ( -0.246,   0.662,  -0.061)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.074,   0.895,  -1.822)  ( -0.074,   0.895,  -1.822)  ( 0.00,  0.00,  0.00)
183:     electro (  0.127,  -0.042,  -0.330)  (  0.127,  -0.042,  -0.330)  ( 0.00,  0.00,  0.00)
183: ok 24 # gradients 
183: ok 25 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/clopidogrel.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
179:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
179:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
179:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
179:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
179:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
179:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
179:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
179:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
179:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
179:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
179:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
179:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
179:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
179:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
179:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
179:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
179:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
179:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
179:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
179:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
179:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
179:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
179:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
179:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
179:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
179:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
179:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
179:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
179:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
179:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
179:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
181:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
181:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
181:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 30       ( -0.010,   0.057,   0.047)  ( -0.010,   0.062,   0.047)  ( 0.00,  0.03,  0.00)
181:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
181:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
181:     electro ( -9.620,  -2.911,  -9.600)  ( -9.620,  -2.911,  -9.600)  ( 0.00,  0.00,  0.00)
181: 31       (  0.125,   0.139,   0.019)  (  0.600,   0.242,  -0.362)  ( 5.95,  1.43,  0.73)
181:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
181:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.247,   0.012,  -0.130)  (  0.247,   0.012,  -0.130)  ( 0.00,  0.00,  0.00)
181:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
181:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
181:     electro ( 13.145,  -2.096,  10.610)  ( 13.145,  -2.096,  10.610)  ( 0.00,  0.00,  0.00)
181: ok 32 # gradients 
181: ok 33 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
181:  1       ( -0.009,   0.002,  -0.005)  ( -0.001,   0.005,   0.001)  ( 0.01,  0.00,  0.00)
181:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
181:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
181:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.694,   0.130,   0.001)  ( -0.694,   0.130,   0.001)  ( 0.00,  0.00,  0.00)
181:  2       ( -0.094,  -0.071,  -0.108)  ( -0.084,  -0.054,  -0.110)  ( 0.09,  0.12,  0.02)
181:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
181:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
181:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
181:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
181:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.025,  -0.518,  -0.776)  ( -0.025,  -0.518,  -0.776)  ( 0.00,  0.00,  0.00)
181:  3       (  0.182,  -0.012,  -0.057)  (  0.183,  -0.039,  -0.032)  ( 0.02,  0.03,  0.15)
181:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
181:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
181:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
181:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
181:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
181:     electro (  0.350,  -0.364,  -0.476)  (  0.350,  -0.364,  -0.476)  ( 0.00,  0.00,  0.00)
181:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
181:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
181:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
181:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  5       (  0.098,  -0.057,  -0.028)  (  0.109,  -0.026,  -0.041)  ( 0.11,  0.18,  0.04)
181:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
181:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
181:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
181:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
181:     electro (  0.459,   0.213,   0.476)  (  0.459,   0.213,   0.476)  ( 0.00,  0.00,  0.00)
181:  6       ( -0.017,   0.039,   0.055)  ( -0.012,   0.031,   0.069)  ( 0.01,  0.03,  0.08)
181:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
181:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
181:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
181:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
181:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
181:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
181:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
181:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
181:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
181:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
181:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
181:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
181:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
181:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
181:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
181:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
181:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
181:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
181:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
181:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
181:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
181:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
181: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
181:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
181:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
181:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
181:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
181: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
181:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
181:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
181:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
181:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
181: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
181:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
181:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
181:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
181:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
181: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
181:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
181:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
181:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
181:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
181: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
181:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
181:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
181:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
181:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
181: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
181:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
181:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
181:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
181:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
181:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
181: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
181:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
181:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
181:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
181: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
181:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
181:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
181:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
179:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
179:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
179:     electro (  0.165,   0.492,   0.776)  (  0.165,   0.492,   0.776)  ( 0.00,  0.00,  0.00)
179:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
179:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
179:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
179:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
179:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:  8       ( -0.096,   0.024,  -0.020)  ( -0.089,   0.030,  -0.017)  ( 0.07,  0.01,  0.01)
179:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
179:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
179:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
179:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
179:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
179:     electro (  0.016,  -1.510,   0.914)  (  0.016,  -1.510,   0.914)  ( 0.00,  0.00,  0.00)
179:  9       ( -0.010,  -0.087,   0.031)  ( -0.003,  -0.081,   0.034)  ( 0.01,  0.05,  0.01)
179:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
179:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
179:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
179:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.025,   0.347,  -0.209)  ( -0.025,   0.347,  -0.209)  ( 0.00,  0.00,  0.00)
179: 10       ( -0.018,  -0.003,   0.005)  ( -0.014,   0.002,   0.008)  ( 0.01,  0.00,  0.00)
179:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
179:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.532,   0.661,   0.003)  ( -3.532,   0.661,   0.003)  ( 0.00,  0.00,  0.00)
179: 11       ( -0.084,   0.070,  -0.048)  ( -0.077,   0.076,  -0.045)  ( 0.06,  0.04,  0.02)
179:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
179:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
179:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
179:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.149,  -0.315,   0.209)  ( -0.149,  -0.315,   0.209)  ( 0.00,  0.00,  0.00)
179: 12       (  0.047,  -0.083,   0.059)  (  0.054,  -0.077,   0.061)  ( 0.03,  0.04,  0.02)
179:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
179:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
179:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
179:     electro (  0.560,   1.403,  -0.914)  (  0.560,   1.402,  -0.914)  ( 0.00,  0.00,  0.00)
179: 13       (  0.014,   0.029,  -0.012)  (  0.016,   0.031,  -0.010)  ( 0.00,  0.01,  0.00)
179:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
179:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
179:     electro (  0.369,   0.342,  -0.225)  (  0.369,   0.342,  -0.225)  ( 0.00,  0.00,  0.00)
179: 14       (  0.014,  -0.025,   0.027)  (  0.015,  -0.022,   0.028)  ( 0.00,  0.01,  0.00)
179:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
179:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
179:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
179:     electro (  0.821,  -0.881,   0.436)  (  0.821,  -0.881,   0.436)  ( 0.00,  0.00,  0.00)
179: 15       ( -0.046,  -0.018,   0.011)  ( -0.038,  -0.002,   0.010)  ( 0.03,  0.03,  0.00)
179:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
179:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
179:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
179:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
179:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.503,   0.134,   0.095)  ( -0.503,   0.134,   0.095)  ( 0.00,  0.00,  0.00)
179: 16       (  0.036,  -0.004,   0.009)  (  0.041,  -0.003,   0.010)  ( 0.02,  0.00,  0.00)
179:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
179:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
179:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.410,   0.264,   0.001)  ( -1.410,   0.264,   0.001)  ( 0.00,  0.00,  0.00)
179: 17       ( -0.037,   0.047,   0.071)  ( -0.035,   0.047,   0.074)  ( 0.01,  0.00,  0.02)
179:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
179:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
179:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
179:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
179: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
179:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
179:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
179:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
179:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
179:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
179:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
179: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
179:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
179:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
179:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
179:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
179: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
179:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
179:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
179:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
179:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
179: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
179:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
179:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
179:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
179:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
179: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
179:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
179:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
179:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
179:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
179:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
179:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
179:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
179:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
179:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
179:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
179:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
179:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 34 # gradients 
179: ok 35 # energy 
179: ----------------------------------------------------------------------------------------
179:                                                                                         
179:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
179:                                                                                         
179:                                                                                         
179: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
179: ----------------------------------------------------------------------------------------
179:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
179:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
179:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
179:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
179:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
179:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
179:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
179:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
179:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
179:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
179:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
179:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
179:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
179:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
179:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
179:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
179:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
179:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
179:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
179:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
179:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
179:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
179:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
179:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
179:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
179:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
179:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
179:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
179:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
179:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
179:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
179:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
179:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
181:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
181:     electro (  1.521,   0.344,   0.934)  (  1.521,   0.344,   0.934)  ( 0.00,  0.00,  0.00)
181: 18       ( -0.041,   0.022,   0.048)  ( -0.037,   0.019,   0.060)  ( 0.02,  0.01,  0.05)
181:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
181:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
181:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
181:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
181:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
181:     electro ( -0.518,   0.057,  -0.094)  ( -0.518,   0.057,  -0.094)  ( 0.00,  0.00,  0.00)
181: 19       ( -0.026,  -0.013,  -0.044)  ( -0.024,  -0.011,  -0.042)  ( 0.01,  0.00,  0.01)
181:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
181:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
181:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
181:     electro (  1.292,  -0.870,  -0.936)  (  1.292,  -0.870,  -0.936)  ( 0.00,  0.00,  0.00)
181: 20       (  0.018,  -0.043,   0.008)  (  0.019,  -0.041,   0.009)  ( 0.00,  0.01,  0.00)
181:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
181:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
181:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
181:     electro (  0.221,  -0.453,   0.225)  (  0.221,  -0.453,   0.225)  ( 0.00,  0.00,  0.00)
181: 21       (  0.039,   0.039,  -0.040)  (  0.041,   0.040,  -0.039)  ( 0.01,  0.01,  0.00)
181:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
181:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
181:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
181:     electro (  1.083,   0.525,  -0.437)  (  1.083,   0.525,  -0.437)  ( 0.00,  0.00,  0.00)
181: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
181:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
181:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
181:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
181:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
181:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
181:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
181:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
181:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
181:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
181:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
181:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
181:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
181:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
181:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
181:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
181:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
181:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 34 # gradients 
181: ok 35 # energy 
181: ----------------------------------------------------------------------------------------
181:                                                                                         
181:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
181:                                                                                         
181:                                                                                         
181: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
181: ----------------------------------------------------------------------------------------
183:  1       ( -0.279,  -0.003,   0.123)  ( -0.272,   0.001,   0.128)  ( 0.21,  0.00,  0.06)
183:     bond    (  0.405,   3.441,   0.242)  (  0.412,   3.445,   0.242)  ( 0.28,  0.13,  0.00)
183:     angle   ( -0.409,   0.650,  -0.195)  ( -0.408,   0.652,  -0.195)  ( 0.06,  0.11,  0.00)
183:     strbnd  ( -0.322,  -4.041,  -0.254)  ( -0.322,  -4.042,  -0.254)  ( 0.01,  0.03,  0.00)
183:     torsion ( -0.032,  -0.018,   0.320)  ( -0.032,  -0.018,   0.321)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.002,   0.001,  -0.014)  (  0.001,   0.001,  -0.011)  ( 0.00,  0.00,  0.01)
183:     vdw     ( -0.047,  -0.020,  -0.019)  ( -0.047,  -0.020,  -0.019)  ( 0.00,  0.00,  0.00)
183:     electro (  0.124,  -0.017,   0.043)  (  0.124,  -0.017,   0.043)  ( 0.00,  0.00,  0.00)
183:  2       (  0.100,  -0.168,  -0.063)  (  0.104,  -0.161,  -0.045)  ( 0.04,  0.12,  0.11)
183:     bond    (  3.541,  -2.137,   0.264)  (  3.546,  -2.131,   0.265)  ( 0.15,  0.30,  0.00)
183:     angle   (  1.746,   1.275,   0.298)  (  1.748,   1.277,   0.298)  ( 0.10,  0.14,  0.00)
183:     strbnd  ( -2.090,   1.285,  -0.146)  ( -2.091,   1.285,  -0.146)  ( 0.05,  0.01,  0.00)
183:     torsion (  0.033,   0.016,  -0.297)  (  0.034,   0.016,  -0.296)  ( 0.00,  0.00,  0.04)
183:     oop     (  0.010,   0.005,  -0.088)  (  0.009,   0.004,  -0.072)  ( 0.00,  0.00,  0.14)
183:     vdw     ( -3.041,  -0.539,  -0.132)  ( -3.041,  -0.539,  -0.132)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.101,  -0.072,   0.038)  ( -0.101,  -0.072,   0.038)  ( 0.00,  0.00,  0.00)
183:  3       ( -1.433,   0.619,   0.080)  ( -1.416,   0.635,  -0.042)  ( 1.17,  0.98,  0.97)
183:     bond    ( 10.808,   8.532,   1.851)  ( 10.812,   8.538,   1.851)  ( 0.04,  0.07,  0.01)
183:     angle   ( -1.280, -12.576,  -1.628)  ( -1.278, -12.574,  -1.628)  ( 0.16,  0.02,  0.03)
183:     strbnd  ( -2.662,  -2.231,  -0.989)  ( -2.662,  -2.232,  -0.989)  ( 0.02,  0.03,  0.01)
183:     torsion ( -0.153,   0.061,   1.120)  ( -0.153,   0.061,   1.121)  ( 0.00,  0.00,  0.09)
183:     oop     ( -0.073,  -0.051,   0.782)  ( -0.062,  -0.043,   0.659)  ( 0.08,  0.04,  9.60)
183:     vdw     ( -8.513,   7.070,  -1.049)  ( -8.513,   7.070,  -1.049)  ( 0.00,  0.00,  0.00)
183:     electro (  0.441,  -0.186,  -0.007)  (  0.441,  -0.186,  -0.007)  ( 0.00,  0.00,  0.00)
183:  4       (  2.087,   0.080,  -0.569)  (  2.064,   0.060,  -0.243)  ( 1.08,  0.16, 18.58)
183:     bond    ( 20.270,  -4.350,   1.475)  ( 20.275,  -4.343,   1.476)  ( 0.02,  0.15,  0.01)
183:     angle   ( 12.458,  12.739,   3.115)  ( 12.460,  12.741,   3.115)  ( 0.02,  0.01,  0.01)
183:     strbnd  (-17.883,  -3.513,  -1.809)  (-17.884,  -3.514,  -1.809)  ( 0.01,  0.03,  0.00)
183:     torsion (  0.036,   0.065,  -1.684)  (  0.036,   0.065,  -1.683)  ( 0.00,  0.00,  0.04)
183:     oop     (  0.171,   0.149,  -1.871)  (  0.143,   0.122,  -1.545)  ( 0.48,  0.40, 17.39)
183:     vdw     (-12.241,  -4.949,   0.142)  (-12.241,  -4.949,   0.142)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.725,  -0.061,   0.062)  ( -0.725,  -0.061,   0.062)  ( 0.00,  0.00,  0.00)
183:  5       ( -2.687,  -1.178,   0.039)  ( -2.683,  -1.173,   0.054)  ( 0.13,  0.48,  0.06)
183:     bond    (  1.518, -21.327,  -9.249)  (  1.522, -21.323,  -9.244)  ( 0.25,  0.02,  0.05)
183:     angle   ( -8.489,  14.472,   7.087)  ( -8.487,  14.475,   7.088)  ( 0.02,  0.02,  0.02)
183:     strbnd  ( 11.557,   1.653,   2.302)  ( 11.556,   1.652,   2.302)  ( 0.01,  0.05,  0.02)
183:     torsion ( -0.182,   0.061,  -1.411)  ( -0.182,   0.061,  -1.410)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.005,   0.003,  -0.040)  (  0.004,   0.002,  -0.031)  ( 0.00,  0.00,  0.04)
183:     vdw     ( -7.969,   3.574,   1.404)  ( -7.968,   3.574,   1.404)  ( 0.00,  0.00,  0.00)
183:     electro (  0.873,   0.387,  -0.055)  (  0.873,   0.387,  -0.055)  ( 0.00,  0.00,  0.00)
183:  6       (  0.018,  -0.397,   0.001)  (  0.029,  -0.386,  -0.079)  ( 0.02,  0.42,  0.01)
183:     bond    ( -9.999,  -4.566,  -1.383)  ( -9.996,  -4.563,  -1.383)  ( 0.03,  0.06,  0.00)
183:     angle   (  0.723,  -4.226,  -0.076)  (  0.723,  -4.225,  -0.077)  ( 0.04,  0.03,  0.00)
183:     strbnd  ( 12.551,   6.889,   1.807)  ( 12.551,   6.889,   1.807)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.080,   0.020,  -0.668)  (  0.080,   0.020,  -0.667)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.057,  -0.045,   0.532)  ( -0.048,  -0.038,   0.452)  ( 0.05,  0.03,  4.28)
183:     vdw     ( -3.283,   1.455,  -0.244)  ( -3.283,   1.455,  -0.244)  ( 0.00,  0.00,  0.00)
183:     electro (  0.002,   0.077,   0.032)  (  0.002,   0.077,   0.032)  ( 0.00,  0.00,  0.00)
183:  7       (  3.021,   6.551,  -0.598)  (  3.026,   6.556,  -0.596)  ( 0.16,  0.08,  0.15)
183:     bond    ( 10.203,   5.616,  25.277)  ( 10.207,   5.620,  25.278)  ( 0.04,  0.07,  0.00)
183:     angle   (-14.427,   4.571, -29.699)  (-14.425,   4.572, -29.697)  ( 0.01,  0.03,  0.01)
183:     strbnd  (  1.147,  -1.228,  -0.703)  (  1.146,  -1.229,  -0.703)  ( 0.05,  0.04,  0.03)
183:     torsion (  1.193,  -0.605,  -0.282)  (  1.193,  -0.605,  -0.282)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.912,   0.367,   4.636)  (  5.912,   0.367,   4.636)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.008,  -2.170,   0.172)  ( -1.008,  -2.170,   0.172)  ( 0.00,  0.00,  0.00)
183:  8       ( -0.124,  -0.019,  -0.296)  ( -0.123,  -0.017,  -0.295)  ( 0.01,  0.01,  0.03)
183:     bond    ( -0.019,  -0.836,   0.410)  ( -0.019,  -0.833,   0.411)  ( 0.00,  0.23,  0.03)
183:     angle   (  4.770,  -0.609,  -1.012)  (  4.771,  -0.609,  -1.012)  ( 0.01,  0.01,  0.04)
183:     strbnd  (  0.249,   0.128,  -1.740)  (  0.249,   0.128,  -1.740)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.173,  -0.083,  -0.176)  ( -0.173,  -0.083,  -0.176)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.951,   1.380,   2.222)  ( -4.951,   1.380,   2.222)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       ( -0.069,   0.131,  -0.224)  ( -0.068,   0.132,  -0.221)  ( 0.01,  0.01,  0.07)
183:     bond    ( -0.548,  -0.489,  -3.470)  ( -0.548,  -0.489,  -3.467)  ( 0.01,  0.00,  0.09)
183:     angle   (  2.634,  -1.083,  -0.264)  (  2.635,  -1.082,  -0.264)  ( 0.02,  0.05,  0.00)
183:     strbnd  (  0.419,  -1.396,   0.765)  (  0.419,  -1.396,   0.765)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.167,  -0.223,   0.058)  ( -0.167,  -0.223,   0.058)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.406,   3.323,   2.687)  ( -2.406,   3.323,   2.687)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 10       (  0.125,  -1.325,   0.049)  (  0.131,  -1.320,   0.054)  ( 0.07,  0.40,  0.03)
183:     bond    (-15.381,  12.089, -12.058)  (-15.377,  12.093, -12.053)  ( 0.02,  0.04,  0.04)
183:     angle   (  8.484, -11.406,  11.903)  (  8.487, -11.404,  11.904)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  4.060,   9.673,   0.443)  (  4.059,   9.672,   0.443)  ( 0.02,  0.01,  0.02)
183:     torsion (  1.330,  -0.770,  -1.490)  (  1.330,  -0.769,  -1.490)  ( 0.01,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.699, -11.336,   1.328)  (  1.699, -11.336,   1.328)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.066,   0.423,  -0.077)  ( -0.066,   0.423,  -0.077)  ( 0.00,  0.00,  0.00)
183: 11       (  0.736,   2.170,  -0.004)  (  0.752,   2.188,  -0.139)  ( 1.17,  0.84,  0.05)
183:     bond    (  9.639,  15.878,   4.037)  (  9.642,  15.883,   4.041)  ( 0.04,  0.03,  0.11)
183:     angle   ( -9.172,  -2.161,  -6.458)  ( -9.170,  -2.158,  -6.456)  ( 0.02,  0.11,  0.02)
183:     strbnd  (  1.149,  -6.264,  -0.982)  (  1.147,  -6.265,  -0.982)  ( 0.10,  0.02,  0.04)
183:     torsion ( -0.350,  -0.442,   3.225)  ( -0.350,  -0.442,   3.225)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.054,  -0.059,   0.659)  ( -0.042,  -0.046,   0.518)  ( 0.06,  0.07,  9.28)
183:     vdw     ( -0.242,  -4.058,  -0.450)  ( -0.242,  -4.058,  -0.450)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.233,  -0.725,  -0.034)  ( -0.233,  -0.725,  -0.034)  ( 0.00,  0.00,  0.00)
183: 12       (  0.007,   0.058,  -0.013)  (  0.009,   0.059,  -0.013)  ( 0.00,  0.01,  0.00)
179:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
179:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
179:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
179:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
179:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
179:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
179:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
179:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
179:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
179:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
179:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
179:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
179:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
179:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
179:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
179:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
179:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
179:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
179:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
179: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
179:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
179:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
179:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
179: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
179:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
179:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
179:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
179:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
179: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
183:     bond    ( -1.070,   0.929,   0.454)  ( -1.069,   0.931,   0.454)  ( 0.16,  0.12,  0.01)
183:     angle   (  4.468,   5.608,  -0.977)  (  4.468,   5.608,  -0.977)  ( 0.01,  0.01,  0.05)
183:     strbnd  (  0.788,  -0.295,  -1.704)  (  0.788,  -0.295,  -1.704)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.551,  -1.028,   0.811)  ( -0.551,  -1.028,   0.811)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.628,  -5.157,   1.404)  ( -3.628,  -5.157,   1.404)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       ( -0.120,   0.039,  -0.037)  ( -0.119,   0.040,  -0.033)  ( 0.01,  0.00,  0.01)
183:     bond    ( -0.328,  -0.292,  -3.901)  ( -0.328,  -0.292,  -3.897)  ( 0.00,  0.00,  0.08)
183:     angle   ( -0.446,   1.585,  -0.081)  ( -0.446,   1.585,  -0.081)  ( 0.02,  0.04,  0.00)
183:     strbnd  ( -0.722,   1.212,   0.784)  ( -0.722,   1.212,   0.784)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.435,   1.492,  -0.075)  ( -0.435,   1.492,  -0.075)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.812,  -3.957,   3.236)  (  1.812,  -3.957,   3.236)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 14       (  0.067,   0.147,  -0.288)  (  0.068,   0.148,  -0.285)  ( 0.00,  0.01,  0.08)
183:     bond    ( -0.175,   1.062,   2.357)  ( -0.175,   1.063,   2.360)  ( 0.00,  0.05,  0.12)
183:     angle   ( -0.080,  -0.961,   0.427)  ( -0.080,  -0.961,   0.427)  ( 0.00,  0.04,  0.00)
183:     strbnd  (  0.554,   0.475,  -1.094)  (  0.554,   0.475,  -1.094)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.550,   1.444,  -0.691)  ( -0.550,   1.444,  -0.691)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.318,  -1.873,  -1.287)  (  0.318,  -1.873,  -1.287)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 15       (  0.046,  -0.135,  -0.333)  (  0.047,  -0.133,  -0.331)  ( 0.00,  0.03,  0.06)
183:     bond    (  0.373,   1.480,  -1.330)  (  0.373,   1.482,  -1.328)  ( 0.00,  0.12,  0.11)
183:     angle   ( -2.004,   0.579,   0.084)  ( -2.004,   0.580,   0.085)  ( 0.03,  0.01,  0.00)
183:     strbnd  (  0.258,   0.339,   0.948)  (  0.258,   0.339,   0.948)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.462,  -0.620,  -0.562)  (  0.462,  -0.620,  -0.562)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.958,  -1.914,   0.528)  (  0.958,  -1.914,   0.528)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 16       (  0.085,   0.267,   0.463)  (  0.090,   0.268,   0.460)  ( 0.04,  0.03,  0.13)
183:     bond    (  0.758,  -0.200,   0.086)  (  0.762,  -0.200,   0.086)  ( 0.28,  0.01,  0.00)
183:     angle   (  0.078,   0.315,   0.044)  (  0.078,   0.315,   0.044)  ( 0.00,  0.02,  0.00)
183:     strbnd  ( -0.224,   0.410,  -0.006)  ( -0.224,   0.410,  -0.006)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.053,  -0.023,   0.416)  ( -0.053,  -0.023,   0.416)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.002,  -0.001,   0.014)  ( -0.001,  -0.001,   0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.370,  -0.087,  -0.051)  ( -0.370,  -0.087,  -0.051)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.102,  -0.148,  -0.039)  ( -0.102,  -0.148,  -0.039)  ( 0.00,  0.00,  0.00)
183: 17       (  0.030,  -0.337,   0.354)  (  0.031,  -0.333,   0.349)  ( 0.00,  0.14,  0.18)
183:     bond    (  0.202,  -2.402,  -0.106)  (  0.202,  -2.398,  -0.106)  ( 0.00,  0.16,  0.00)
183:     angle   (  0.155,   0.010,   0.062)  (  0.156,   0.010,   0.062)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  0.312,   1.242,   0.101)  (  0.312,   1.242,   0.101)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.037,  -0.018,   0.329)  ( -0.037,  -0.018,   0.329)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.003,  -0.001,   0.025)  ( -0.002,  -0.001,   0.019)  ( 0.00,  0.00,  0.01)
183:     vdw     ( -0.532,   0.720,  -0.009)  ( -0.532,   0.720,  -0.009)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.067,   0.112,  -0.048)  ( -0.067,   0.112,  -0.048)  ( 0.00,  0.00,  0.00)
183: 18       (  0.234,   1.955,  -3.552)  (  0.255,   1.935,  -3.562)  ( 0.49,  1.01,  0.28)
183:     bond    ( -6.379,   0.928, -24.889)  ( -6.375,   0.931, -24.885)  ( 0.06,  0.30,  0.02)
183:     angle   (  9.056,   0.616,  23.534)  (  9.058,   0.619,  23.536)  ( 0.02,  0.14,  0.01)
183:     strbnd  ( -5.196,  -2.586,  -0.461)  ( -5.197,  -2.587,  -0.462)  ( 0.03,  0.04,  0.02)
183:     torsion (  1.569,  -1.208,   0.648)  (  1.569,  -1.208,   0.648)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.120,   0.144,   0.106)  ( -0.104,   0.120,   0.090)  ( 0.19,  0.35,  0.17)
183:     vdw     (  1.409,   4.724,  -3.655)  (  1.409,   4.724,  -3.655)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.105,  -0.663,   1.165)  ( -0.105,  -0.663,   1.165)  ( 0.00,  0.00,  0.00)
183: 19       (  0.354,   2.120,   0.056)  (  0.365,   2.131,   0.061)  ( 0.39,  0.51,  0.03)
183:     bond    ( -2.284,   1.490,  -1.564)  ( -2.281,   1.492,  -1.560)  ( 0.13,  0.13,  0.31)
183:     angle   ( -1.097,  -5.742,  -2.880)  ( -1.096,  -5.741,  -2.878)  ( 0.12,  0.02,  0.06)
183:     strbnd  (  3.814,  -3.033,   2.137)  (  3.814,  -3.033,   2.137)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.420,   0.671,  -0.162)  (  0.420,   0.672,  -0.162)  ( 0.02,  0.04,  0.00)
183:     oop     ( -0.056,  -0.065,   0.006)  ( -0.050,  -0.058,   0.005)  ( 0.04,  0.05,  0.00)
183:     vdw     ( -0.306,   9.504,   2.421)  ( -0.306,   9.504,   2.421)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.137,  -0.705,   0.098)  ( -0.137,  -0.705,   0.098)  ( 0.00,  0.00,  0.00)
183: 20       ( -4.758,  -2.921,   1.091)  ( -4.871,  -2.872,   1.165)  ( 2.36,  1.67,  6.80)
183:     bond    ( -2.231, -20.883,   8.347)  ( -2.227, -20.877,   8.352)  ( 0.15,  0.03,  0.06)
183:     angle   ( -4.426,  15.205,  -3.475)  ( -4.426,  15.207,  -3.473)  ( 0.02,  0.01,  0.05)
183:     strbnd  ( -4.771,  -2.312,  -7.995)  ( -4.772,  -2.313,  -7.996)  ( 0.01,  0.04,  0.02)
183:     torsion ( -2.925,   0.824,   1.217)  ( -2.924,   0.824,   1.217)  ( 0.01,  0.00,  0.00)
183:     oop     (  0.652,  -0.226,  -0.380)  (  0.536,  -0.185,  -0.311)  ( 7.57,  0.92,  2.60)
183:     vdw     (  7.151,   3.310,   3.612)  (  7.151,   3.310,   3.612)  ( 0.00,  0.00,  0.00)
183:     electro (  1.791,   1.160,  -0.235)  (  1.791,   1.160,  -0.235)  ( 0.00,  0.00,  0.00)
183: 21       ( -0.124,  -0.034,   0.051)  ( -0.123,  -0.033,   0.055)  ( 0.01,  0.00,  0.02)
183:     bond    ( -0.235,  -0.308,  -2.219)  ( -0.235,  -0.308,  -2.216)  ( 0.00,  0.00,  0.15)
183:     angle   (  4.698,  -5.851,   0.315)  (  4.699,  -5.850,   0.315)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -0.581,  -0.336,   1.443)  ( -0.581,  -0.336,   1.443)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.301,   0.144,   0.118)  ( -1.301,   0.144,   0.118)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.704,   6.318,   0.395)  ( -2.704,   6.318,   0.395)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       ( -1.234,   0.590,   0.291)  ( -1.240,   0.580,   0.298)  ( 0.44,  0.58,  0.20)
183:     bond    (  7.110,  -5.000,  16.974)  (  7.113,  -4.998,  16.979)  ( 0.05,  0.04,  0.03)
183:     angle   ( -2.542,   1.862,  -6.168)  ( -2.541,   1.862,  -6.166)  ( 0.04,  0.04,  0.03)
183:     strbnd  ( -2.998,   2.586,   2.923)  ( -2.998,   2.586,   2.923)  ( 0.00,  0.00,  0.01)
183:     torsion (  0.187,   0.206,   0.004)  (  0.187,   0.207,   0.004)  ( 0.01,  0.02,  0.00)
183:     oop     (  0.071,   0.090,  -0.001)  (  0.060,   0.076,  -0.000)  ( 0.07,  0.12,  0.00)
183:     vdw     ( -3.409,   1.113, -13.213)  ( -3.409,   1.113, -13.213)  ( 0.00,  0.01,  0.00)
183:     electro (  0.348,  -0.267,  -0.229)  (  0.348,  -0.267,  -0.229)  ( 0.00,  0.00,  0.00)
183: 23       ( -0.424,  -0.244,  -0.447)  ( -0.417,  -0.238,  -0.440)  ( 0.27,  0.14,  0.33)
183:     bond    ( -4.764,   3.427,  11.494)  ( -4.760,   3.429,  11.499)  ( 0.07,  0.06,  0.05)
183:     angle   (  1.122,  -0.757,   2.811)  (  1.123,  -0.756,   2.813)  ( 0.09,  0.04,  0.06)
183:     strbnd  (  2.035,  -1.610,  -1.356)  (  2.035,  -1.610,  -1.356)  ( 0.01,  0.01,  0.01)
183:     torsion ( -0.226,  -0.307,   0.011)  ( -0.225,  -0.307,   0.011)  ( 0.01,  0.03,  0.00)
183:     oop     ( -0.009,  -0.013,  -0.000)  ( -0.008,  -0.010,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.387,  -0.990, -13.718)  (  1.387,  -0.990, -13.718)  ( 0.00,  0.00,  0.00)
183:     electro (  0.030,   0.005,   0.311)  (  0.030,   0.005,   0.311)  ( 0.00,  0.00,  0.00)
183: 24       (  0.157,  -0.217,  -0.233)  (  0.172,  -0.201,  -0.226)  ( 0.23,  0.34,  0.16)
183:     bond    ( -7.605,   5.610,   5.554)  ( -7.601,   5.612,   5.560)  ( 0.05,  0.04,  0.10)
183:     angle   ( -1.737,   1.343,   0.082)  ( -1.736,   1.343,   0.083)  ( 0.06,  0.05,  0.01)
183:     strbnd  (  0.340,  -0.282,  -1.073)  (  0.340,  -0.282,  -1.073)  ( 0.00,  0.00,  0.02)
183:     torsion (  0.141,   0.176,   0.004)  (  0.142,   0.177,   0.004)  ( 0.01,  0.01,  0.00)
183:     oop     ( -0.055,  -0.073,  -0.001)  ( -0.046,  -0.061,  -0.001)  ( 0.05,  0.09,  0.00)
183:     vdw     (  9.119,  -7.021,  -4.701)  (  9.119,  -7.021,  -4.701)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.046,   0.030,  -0.098)  ( -0.046,   0.030,  -0.098)  ( 0.00,  0.00,  0.00)
183: 25       (  0.454,   0.055,   0.715)  (  0.438,   0.032,   0.721)  ( 0.74,  0.13,  0.46)
183:     bond    (-11.078,   8.736,  -4.694)  (-11.074,   8.738,  -4.688)  ( 0.03,  0.02,  0.12)
183:     angle   (  1.300,  -0.887,  -3.803)  (  1.301,  -0.886,  -3.801)  ( 0.08,  0.06,  0.05)
183:     strbnd  (  1.316,  -0.991,   0.244)  (  1.316,  -0.991,   0.244)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.076,  -0.091,   0.002)  ( -0.076,  -0.090,   0.002)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.140,   0.179,   0.005)  (  0.119,   0.152,   0.004)  ( 0.30,  0.49,  0.00)
183:     vdw     (  8.950,  -6.944,   9.005)  (  8.950,  -6.943,   9.005)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.098,   0.053,  -0.044)  ( -0.098,   0.053,  -0.044)  ( 0.00,  0.00,  0.00)
183: 26       (  0.502,  -0.688,  -0.363)  (  0.560,  -0.616,  -0.355)  ( 2.88,  4.96,  0.30)
183:     bond    ( -0.944,   0.846, -18.247)  ( -0.940,   0.848, -18.243)  ( 0.30,  0.17,  0.02)
183:     angle   (  7.126,  -5.296,   3.718)  (  7.127,  -5.296,   3.720)  ( 0.01,  0.01,  0.05)
183:     strbnd  ( -7.430,   5.904,   0.945)  ( -7.430,   5.904,   0.944)  ( 0.00,  0.00,  0.05)
183:     torsion ( -0.866,  -1.152,  -0.063)  ( -0.866,  -1.152,  -0.063)  ( 0.03,  0.06,  0.00)
183:     oop     ( -0.313,  -0.407,  -0.015)  ( -0.261,  -0.338,  -0.012)  ( 1.66,  2.81,  0.00)
183:     vdw     (  3.069,  -0.873,  13.253)  (  3.069,  -0.873,  13.253)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.139,   0.290,   0.046)  ( -0.139,   0.290,   0.046)  ( 0.00,  0.00,  0.00)
183: 27       (  1.281,  -0.843,   0.502)  (  1.283,  -0.843,   0.504)  ( 0.11,  0.06,  0.10)
183:     bond    (  2.446,  -1.770,   2.501)  (  2.447,  -1.769,   2.503)  ( 0.06,  0.04,  0.06)
183:     angle   ( -1.543,   1.181,   2.343)  ( -1.543,   1.181,   2.344)  ( 0.01,  0.01,  0.02)
183:     strbnd  ( -1.339,   0.977,  -0.789)  ( -1.339,   0.977,  -0.789)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.988,   1.336,  -0.022)  (  0.988,   1.336,  -0.022)  ( 0.01,  0.02,  0.00)
183:     oop     (  0.002,   0.003,  -0.000)  (  0.002,   0.002,  -0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.259,  -2.708,  -3.410)  (  1.260,  -2.708,  -3.410)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.532,   0.139,  -0.121)  ( -0.532,   0.139,  -0.121)  ( 0.00,  0.00,  0.00)
183: 28       (  0.659,   0.029,  -0.865)  (  0.660,   0.029,  -0.863)  ( 0.05,  0.00,  0.16)
183:     bond    ( -1.791,   1.438,  -1.751)  ( -1.790,   1.439,  -1.750)  ( 0.08,  0.07,  0.08)
183:     angle   ( -0.694,   0.523,   1.139)  ( -0.694,   0.523,   1.139)  ( 0.01,  0.00,  0.04)
183:     strbnd  (  0.572,  -0.470,   0.906)  (  0.572,  -0.470,   0.906)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.222,   0.282,   0.005)  (  0.222,   0.283,   0.005)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.006,   0.008,   0.000)  (  0.005,   0.007,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.510,  -1.901,  -1.427)  (  2.510,  -1.901,  -1.427)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.166,   0.148,   0.264)  ( -0.166,   0.148,   0.264)  ( 0.00,  0.00,  0.00)
183: 29       (  0.611,   0.630,   0.735)  (  0.594,   0.607,   0.737)  ( 1.08,  1.46,  0.11)
183:     bond    (  0.302,  -0.086,  -3.852)  (  0.302,  -0.086,  -3.850)  ( 0.00,  0.00,  0.06)
183:     angle   ( -6.191,   4.765,  -0.593)  ( -6.191,   4.765,  -0.593)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.076,   0.015,  -2.804)  (  0.076,   0.015,  -2.804)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.648,   0.848,   0.032)  (  0.648,   0.848,   0.032)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.111,   0.143,   0.005)  (  0.093,   0.120,   0.005)  ( 0.20,  0.34,  0.00)
183:     vdw     (  5.741,  -5.031,   8.170)  (  5.741,  -5.031,   8.171)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.075,  -0.024,  -0.223)  ( -0.075,  -0.024,  -0.223)  ( 0.00,  0.00,  0.00)
183: 30       ( -0.397,  -0.419,   0.691)  ( -0.398,  -0.421,   0.695)  ( 0.06,  0.10,  0.25)
183:     bond    ( -0.285,   0.192,   2.526)  ( -0.284,   0.192,   2.529)  ( 0.00,  0.00,  0.15)
183:     angle   (  0.191,  -0.141,   0.032)  (  0.191,  -0.141,   0.032)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.092,   0.073,  -0.831)  ( -0.092,   0.073,  -0.831)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.351,  -0.466,  -0.004)  ( -0.351,  -0.466,  -0.004)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.013,   0.017,   0.000)  (  0.011,   0.014,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.124,  -0.078,  -0.755)  (  0.124,  -0.078,  -0.755)  ( 0.00,  0.00,  0.00)
183:     electro (  0.003,  -0.015,  -0.276)  (  0.003,  -0.015,  -0.276)  ( 0.00,  0.00,  0.00)
183: 31       ( -0.704,   0.375,   0.383)  ( -0.707,   0.370,   0.384)  ( 0.17,  0.17,  0.04)
183:     bond    ( -1.807,   1.366,   0.917)  ( -1.805,   1.368,   0.917)  ( 0.11,  0.09,  0.05)
183:     angle   (  0.005,   0.002,   0.007)  (  0.005,   0.002,   0.008)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.452,  -0.351,  -0.140)  (  0.452,  -0.351,  -0.140)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.111,  -0.144,  -0.004)  ( -0.110,  -0.143,  -0.004)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.028,   0.036,   0.000)  (  0.023,   0.030,   0.000)  ( 0.01,  0.02,  0.00)
183:     vdw     (  0.558,  -0.417,  -0.304)  (  0.558,  -0.417,  -0.304)  ( 0.00,  0.00,  0.00)
183:     electro (  0.170,  -0.118,  -0.094)  (  0.170,  -0.118,  -0.094)  ( 0.00,  0.00,  0.00)
183: 32       (  1.630,  -4.947,   2.895)  (  1.690,  -4.961,   2.864)  ( 3.68,  0.29,  1.07)
183:     bond    ( -5.280,  -7.572,  -4.556)  ( -5.277,  -7.567,  -4.554)  ( 0.05,  0.06,  0.04)
183:     angle   ( -0.110,   0.279,  -0.337)  ( -0.110,   0.279,  -0.337)  ( 0.00,  0.01,  0.02)
183:     strbnd  (  1.293,   1.229,   1.466)  (  1.293,   1.229,   1.466)  ( 0.00,  0.01,  0.01)
183:     torsion (  1.739,  -0.595,  -1.027)  (  1.739,  -0.595,  -1.027)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.260,   0.090,   0.151)  ( -0.202,   0.070,   0.118)  ( 1.49,  0.18,  0.50)
183:     vdw     (  4.932,   0.142,   8.178)  (  4.933,   0.142,   8.178)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.685,   1.480,  -0.981)  ( -0.685,   1.480,  -0.981)  ( 0.00,  0.00,  0.00)
183: 33       (  0.265,  -3.628,   2.174)  (  0.299,  -3.635,   2.159)  ( 0.90,  0.18,  0.67)
183:     bond    (  4.715,   4.557,   6.062)  (  4.716,   4.560,   6.065)  ( 0.02,  0.07,  0.06)
183:     angle   ( -7.689, -18.240,  -5.025)  ( -7.688, -18.238,  -5.024)  ( 0.01,  0.01,  0.01)
183:     strbnd  (  3.295,  -2.419,   7.181)  (  3.295,  -2.419,   7.181)  ( 0.00,  0.01,  0.00)
183:     torsion ( -1.716,   0.412,   0.834)  ( -1.716,   0.412,   0.834)  ( 0.01,  0.00,  0.00)
183:     oop     ( -0.210,   0.072,   0.121)  ( -0.178,   0.061,   0.103)  ( 0.68,  0.08,  0.23)
183:     vdw     (  1.937,  10.751,  -6.247)  (  1.938,  10.752,  -6.247)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.069,   1.237,  -0.752)  ( -0.069,   1.237,  -0.752)  ( 0.00,  0.00,  0.00)
183: 34       ( -1.330,   1.205,  -3.164)  ( -1.324,   1.210,  -3.159)  ( 0.46,  0.42,  0.18)
183:     bond    ( -0.334,  -4.761,   2.356)  ( -0.329,  -4.757,   2.361)  ( 0.15,  0.10,  0.19)
183:     angle   (  0.189,   3.946,   0.226)  (  0.190,   3.948,   0.228)  ( 0.03,  0.05,  0.04)
183:     strbnd  (  0.552,   0.973,   0.402)  (  0.551,   0.972,   0.402)  ( 0.02,  0.16,  0.02)
179:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
179:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
179:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
179:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
179:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
179:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
179: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
179:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
179:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
179:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
179:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
179:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
179:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
179: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
179:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
179:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
179:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
179:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
179:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
179: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
179:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
179:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
179:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
179:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
179:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
179:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
179: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
179:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
179:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
179:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
179:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
179:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
179: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
179:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
179:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
179:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
179:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
181:  1       ( 40.017,  -0.918,  27.693)  ( 40.022,  -0.916,  27.698)  ( 0.01,  0.21,  0.02)
181:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
181:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
181:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
181:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
181:     electro ( 11.458,  -0.958,  12.621)  ( 11.458,  -0.958,  12.621)  ( 0.00,  0.00,  0.00)
181:  2       (-31.059,   8.802,  24.651)  (-31.053,   8.807,  24.657)  ( 0.02,  0.06,  0.02)
181:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
181:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
181:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
181:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
181:     electro (  6.602,   5.716,  10.133)  (  6.602,   5.716,  10.133)  ( 0.00,  0.00,  0.00)
181:  3       (-13.765, -13.920,  11.801)  (-13.759, -13.915,  11.806)  ( 0.04,  0.04,  0.04)
181:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
181:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
181:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
181:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
181:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
181:     electro ( -3.627,  -0.951,   0.706)  ( -3.627,  -0.951,   0.706)  ( 0.00,  0.00,  0.00)
181:  4       (-10.095,   5.283, -11.576)  (-10.089,   5.286, -11.570)  ( 0.05,  0.05,  0.05)
181:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
181:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
181:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
181:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
181:     electro ( -7.762,  -2.986, -11.154)  ( -7.762,  -2.986, -11.154)  ( 0.00,  0.00,  0.00)
181:  5       ( 15.784,  -6.823, -14.411)  ( 15.790,  -6.817, -14.405)  ( 0.03,  0.08,  0.04)
181:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
181:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
181:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
181:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
181:     electro (  0.327,   0.152,  -3.602)  (  0.327,   0.152,  -3.602)  ( 0.00,  0.00,  0.00)
181:  6       ( 23.240,  20.461, -25.217)  ( 23.246,  20.467, -25.212)  ( 0.03,  0.03,  0.02)
181:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
181:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
181:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
183:     torsion (  1.469,  -0.111,  -0.152)  (  1.469,  -0.111,  -0.152)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.779,   1.527,  -7.078)  ( -3.779,   1.527,  -7.078)  ( 0.00,  0.00,  0.00)
183:     electro (  0.573,  -0.371,   1.082)  (  0.573,  -0.371,   1.082)  ( 0.00,  0.00,  0.00)
183: 35       (  0.303,   0.212,   0.053)  (  0.304,   0.213,   0.055)  ( 0.04,  0.01,  0.01)
183:     bond    (  0.249,   0.013,   0.448)  (  0.250,   0.013,   0.451)  ( 0.02,  0.00,  0.12)
183:     angle   (  0.291,   0.661,  -0.181)  (  0.291,   0.662,  -0.181)  ( 0.01,  0.04,  0.00)
183:     strbnd  ( -0.215,  -0.451,  -0.159)  ( -0.215,  -0.451,  -0.159)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.017,  -0.004,  -0.009)  (  0.017,  -0.004,  -0.009)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.039,  -0.007,  -0.046)  ( -0.039,  -0.007,  -0.046)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 36       (  0.432,   0.172,   0.118)  (  0.434,   0.174,   0.120)  ( 0.05,  0.03,  0.02)
183:     bond    (  0.425,  -0.592,  -0.547)  (  0.425,  -0.590,  -0.545)  ( 0.03,  0.08,  0.07)
183:     angle   (  1.840,  -0.935,   2.446)  (  1.841,  -0.935,   2.446)  ( 0.02,  0.03,  0.01)
183:     strbnd  (  0.155,  -0.679,  -0.026)  (  0.155,  -0.679,  -0.026)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.272,  -0.056,  -0.151)  ( -0.272,  -0.056,  -0.151)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.715,   2.434,  -1.604)  ( -1.715,   2.434,  -1.604)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 37       (  0.355,  -0.026,   0.062)  (  0.358,  -0.025,   0.062)  ( 0.11,  0.00,  0.00)
183:     bond    ( -0.517,  -0.155,   0.092)  ( -0.514,  -0.155,   0.092)  ( 0.16,  0.00,  0.00)
183:     angle   (  0.968,  -1.352,   3.151)  (  0.969,  -1.351,   3.152)  ( 0.01,  0.04,  0.01)
183:     strbnd  ( -0.412,  -0.566,   0.270)  ( -0.412,  -0.566,   0.270)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.011,  -0.098,  -0.229)  ( -0.011,  -0.098,  -0.229)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.326,   2.145,  -3.222)  (  0.326,   2.145,  -3.222)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 26 # gradients 
183: ok 27 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/esomeprazole.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       ( -2.053,   0.415,  -0.337)  ( -2.105,   0.368,  -0.075)  ( 2.53,  1.96,  8.81)
183:     bond    (  7.276,   5.385,   2.590)  (  7.281,   5.390,   2.590)  ( 0.07,  0.10,  0.02)
183:     angle   (  4.901,  -5.978,   0.229)  (  4.902,  -5.976,   0.230)  ( 0.04,  0.03,  0.01)
183:     strbnd  ( -0.020,  -1.711,  -0.647)  ( -0.020,  -1.711,  -0.647)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.151,  -0.425,   0.365)  ( -0.151,  -0.425,   0.366)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.345,   0.325,  -1.540)  (  0.287,   0.270,  -1.280)  ( 2.03,  1.76, 16.87)
183:     vdw     (-14.890,   2.733,  -1.371)  (-14.889,   2.733,  -1.371)  ( 0.00,  0.00,  0.00)
183:     electro (  0.486,   0.087,   0.038)  (  0.486,   0.087,   0.038)  ( 0.00,  0.00,  0.00)
183:  2       (  0.088,   0.178,   0.659)  (  0.225,   0.295,   0.137)  ( 1.20,  2.08, 34.38)
183:     bond    (  8.112, -21.040,  -1.715)  (  8.117, -21.034,  -1.714)  ( 0.06,  0.03,  0.04)
183:     angle   ( -1.169,   7.194, -15.182)  ( -1.167,   7.196, -15.182)  ( 0.15,  0.03,  0.00)
183:     strbnd  ( -2.863,  15.068,   3.232)  ( -2.863,  15.068,   3.232)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.342,  -0.574,   3.648)  ( -0.342,  -0.574,   3.649)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.793,  -0.680,   3.202)  ( -0.663,  -0.570,   2.678)  (10.36,  7.47, 16.36)
183:     vdw     ( -2.909,   0.463,   7.531)  ( -2.909,   0.463,   7.531)  ( 0.00,  0.01,  0.00)
183:     electro (  0.052,  -0.254,  -0.057)  (  0.052,  -0.254,  -0.057)  ( 0.00,  0.00,  0.00)
183:  3       (  0.944,   1.074,   0.464)  (  0.859,   1.006,   0.824)  ( 8.03,  6.34, 16.68)
183:     bond    ( -9.190,  -3.608,  -3.894)  ( -9.185,  -3.603,  -3.893)  ( 0.05,  0.14,  0.02)
183:     angle   ( -1.891,   2.042,   2.324)  ( -1.889,   2.043,   2.324)  ( 0.09,  0.09,  0.02)
183:     strbnd  (  1.681,  -6.510,  -1.289)  (  1.680,  -6.510,  -1.289)  ( 0.02,  0.00,  0.00)
183:     torsion (  0.497,   0.356,  -1.699)  (  0.498,   0.356,  -1.698)  ( 0.00,  0.00,  0.05)
183:     oop     (  0.546,   0.446,  -2.107)  (  0.455,   0.371,  -1.749)  ( 5.00,  3.33, 16.96)
183:     vdw     (  9.870,   8.310,   7.295)  (  9.870,   8.311,   7.295)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.569,   0.038,  -0.166)  ( -0.569,   0.038,  -0.166)  ( 0.00,  0.00,  0.00)
183:  4       (  0.427,  -1.622,  -0.238)  (  0.436,  -1.613,  -0.247)  ( 0.36,  0.57,  0.21)
183:     bond    ( -9.024,   1.819,  -2.154)  ( -9.020,   1.825,  -2.154)  ( 0.05,  0.29,  0.03)
183:     angle   ( -3.381,  -7.942,  -3.027)  ( -3.379,  -7.940,  -3.027)  ( 0.06,  0.02,  0.02)
183:     strbnd  (  0.700,  12.247,   3.116)  (  0.700,  12.246,   3.116)  ( 0.01,  0.00,  0.00)
183:     torsion (  0.035,   0.371,   0.858)  (  0.035,   0.371,   0.859)  ( 0.00,  0.00,  0.07)
183:     oop     ( -0.017,  -0.017,   0.081)  ( -0.015,  -0.014,   0.070)  ( 0.00,  0.00,  0.09)
183:     vdw     ( 11.765,  -8.172,   0.917)  ( 11.765,  -8.172,   0.917)  ( 0.00,  0.00,  0.00)
183:     electro (  0.349,   0.071,  -0.029)  (  0.349,   0.071,  -0.029)  ( 0.00,  0.00,  0.00)
183:  5       ( -6.203,   2.397,   1.174)  ( -6.193,   2.403,   1.165)  ( 0.15,  0.28,  0.83)
183:     bond    (  0.599,  18.391,   5.068)  (  0.604,  18.393,   5.069)  ( 0.30,  0.01,  0.01)
183:     angle   ( -2.567,  -4.844,  -1.977)  ( -2.566,  -4.842,  -1.977)  ( 0.01,  0.04,  0.00)
183:     strbnd  (  0.126,  -3.607,  -0.716)  (  0.126,  -3.607,  -0.716)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.412,  -0.447,   1.649)  ( -0.412,  -0.447,   1.650)  ( 0.00,  0.00,  0.04)
183:     oop     ( -0.023,  -0.020,   0.080)  ( -0.020,  -0.017,   0.069)  ( 0.01,  0.01,  0.09)
183:     vdw     ( -3.582,  -7.643,  -2.794)  ( -3.582,  -7.643,  -2.794)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.343,   0.567,  -0.136)  ( -0.343,   0.567,  -0.136)  ( 0.00,  0.00,  0.00)
183:  6       (  1.625,  -1.131,  -0.206)  (  1.645,  -1.109,  -0.266)  ( 1.28,  1.91,  1.23)
183:     bond    ( 10.729,  -1.010,   2.254)  ( 10.734,  -1.004,   2.255)  ( 0.05,  0.56,  0.03)
183:     angle   (  1.143,   3.497,   1.367)  (  1.144,   3.499,   1.367)  ( 0.15,  0.05,  0.02)
183:     strbnd  ( -2.517,   7.619,   1.196)  ( -2.517,   7.618,   1.196)  ( 0.00,  0.01,  0.00)
179:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
179: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
179:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
179:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
179:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
179:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
179:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
179: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
179:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
179:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
179:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
179:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 20       ( -7.022,  36.733,  -5.283)  ( -6.843,  36.719,  -5.733)  ( 2.56,  0.04,  8.53)
179:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
179:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
179:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
179:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
179:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
179:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
179:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
179: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
179:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
179:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
179:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
179:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
179:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
179:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
179: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
179:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
179:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
179:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
179:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
179:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
179:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
179: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
179:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
179:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
179:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
179:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
179:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
179:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
179:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
179: 24       (-10.794,  46.348,  -6.929)  (-10.714,  46.344,  -7.100)  ( 0.74,  0.01,  2.47)
179:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
179:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
179:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
179:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
179:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
179:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
179: 25       (  3.373, -52.861,   6.703)  (  3.261, -52.831,   7.013)  ( 3.32,  0.06,  4.61)
179:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
179:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
179:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
179:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
179:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
179:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
179: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
179:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
179:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
179:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
179:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
179: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
179:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
179:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
179:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
179:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
179:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
179: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
179:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
179:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
179:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
179:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
179:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
181:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
181:     electro (  5.041,   6.267,   8.866)  (  5.041,   6.267,   8.865)  ( 0.00,  0.00,  0.00)
181:  7       ( -5.321,  -8.169,  -8.288)  ( -5.316,  -8.164,  -8.283)  ( 0.11,  0.07,  0.07)
181:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
181:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
181:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
181:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.066,  -0.117,   0.141)  ( -0.066,  -0.117,   0.141)  ( 0.00,  0.00,  0.00)
181:  8       ( -6.827,  14.475,  22.925)  ( -6.821,  14.475,  22.975)  ( 0.08,  0.00,  0.22)
181:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
181:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
181:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
181:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
181:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
181:     electro (-11.406,   5.334,  -2.617)  (-11.406,   5.334,  -2.617)  ( 0.00,  0.00,  0.00)
181:  9       (  5.719, -19.054, -11.028)  (  5.721, -19.052, -11.021)  ( 0.03,  0.01,  0.06)
181:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
181:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
181:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
181:     electro ( -3.417,  -2.078,  -8.920)  ( -3.417,  -2.078,  -8.920)  ( 0.00,  0.00,  0.00)
181: 10       ( 10.482,  -6.063, -18.767)  ( 10.483,  -6.056, -18.766)  ( 0.01,  0.12,  0.01)
181:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
181:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
181:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.755,  -8.271,  -5.043)  ( -2.755,  -8.271,  -5.043)  ( 0.00,  0.00,  0.00)
181: 11       (-10.638,  -8.900,  -5.709)  (-10.635,  -8.866,  -5.820)  ( 0.03,  0.38,  1.94)
181:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
181:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
181:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
181:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.085,  -0.071,  -0.064)  ( -0.085,  -0.071,  -0.064)  ( 0.00,  0.00,  0.00)
181: 12       (-21.260,  -0.793,  -2.235)  (-21.252,  -0.800,  -2.173)  ( 0.04,  0.56,  2.79)
183:     torsion (  0.159,   0.163,  -0.520)  (  0.159,   0.163,  -0.519)  ( 0.00,  0.00,  0.05)
183:     oop     ( -0.086,  -0.090,   0.386)  ( -0.072,  -0.076,   0.324)  ( 0.12,  0.13,  2.38)
183:     vdw     ( -7.659, -11.450,  -4.951)  ( -7.659, -11.450,  -4.951)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.144,   0.140,   0.062)  ( -0.144,   0.140,   0.062)  ( 0.00,  0.00,  0.00)
183:  7       ( -1.018,  -0.292,  -0.300)  ( -1.008,  -0.282,  -0.315)  ( 0.96,  0.31,  0.44)
183:     bond    ( -9.535,   2.023,   0.064)  ( -9.531,   2.028,   0.068)  ( 0.04,  0.21,  0.02)
183:     angle   (  7.090,   1.853,   9.392)  (  7.092,   1.855,   9.394)  ( 0.03,  0.11,  0.02)
183:     strbnd  (  2.802,   2.634,  -5.055)  (  2.801,   2.634,  -5.056)  ( 0.04,  0.01,  0.03)
183:     torsion ( -1.902,  -1.148,  -3.686)  ( -1.902,  -1.148,  -3.686)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.031,  -0.029,   0.121)  ( -0.026,  -0.025,   0.103)  ( 0.02,  0.01,  0.23)
183:     vdw     (  0.111,  -4.681,  -1.119)  (  0.111,  -4.681,  -1.119)  ( 0.00,  0.00,  0.00)
183:     electro (  0.448,  -0.945,  -0.018)  (  0.448,  -0.945,  -0.018)  ( 0.00,  0.00,  0.00)
183:  8       ( -1.004,   2.236,   0.069)  ( -1.034,   2.210,   0.203)  ( 3.05,  1.13,  0.92)
183:     bond    (  1.366,   7.925,  -6.059)  (  1.366,   7.930,  -6.057)  ( 0.03,  0.06,  0.04)
183:     angle   ( -4.971,   2.924,  18.703)  ( -4.970,   2.924,  18.704)  ( 0.02,  0.01,  0.00)
183:     strbnd  (  6.002, -13.364, -10.233)  (  6.002, -13.364, -10.234)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.754,  -0.117,  -1.236)  ( -1.754,  -0.117,  -1.236)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.204,   0.195,  -0.836)  (  0.172,   0.164,  -0.706)  ( 0.66,  0.59, 10.89)
183:     vdw     ( -1.863,   4.959,  -0.269)  ( -1.863,   4.959,  -0.269)  ( 0.01,  0.00,  0.00)
183:     electro (  0.013,  -0.285,   0.000)  (  0.013,  -0.285,   0.000)  ( 0.00,  0.00,  0.00)
183:  9       (  0.351,  -0.939,   0.203)  (  0.357,  -0.933,   0.209)  ( 0.20,  0.53,  0.11)
183:     bond    ( -1.279,  -5.277,   4.593)  ( -1.274,  -5.273,   4.598)  ( 0.36,  0.08,  0.10)
183:     angle   (  2.902,   2.092,  -7.874)  (  2.904,   2.094,  -7.872)  ( 0.05,  0.09,  0.03)
183:     strbnd  ( -1.490,  -4.290,   5.538)  ( -1.491,  -4.290,   5.537)  ( 0.03,  0.02,  0.02)
183:     torsion (  1.310,   0.148,   0.500)  (  1.310,   0.148,   0.500)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.133,   6.426,  -2.475)  ( -1.133,   6.427,  -2.475)  ( 0.00,  0.00,  0.00)
183:     electro (  0.040,  -0.039,  -0.079)  (  0.040,  -0.039,  -0.079)  ( 0.00,  0.00,  0.00)
183: 10       (  0.625,  -1.053,  -0.035)  (  0.652,  -1.028,  -0.117)  ( 1.68,  2.30,  0.29)
183:     bond    ( -8.551,  -5.303,  -3.605)  ( -8.546,  -5.298,  -3.601)  ( 0.05,  0.08,  0.13)
183:     angle   (  8.575,   4.295,   4.735)  (  8.577,   4.297,   4.737)  ( 0.02,  0.04,  0.03)
183:     strbnd  ( -3.559,  -3.043,  -2.147)  ( -3.560,  -3.043,  -2.147)  ( 0.03,  0.02,  0.02)
183:     torsion (  0.442,   0.421,  -1.896)  (  0.442,   0.421,  -1.895)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.113,  -0.097,   0.463)  ( -0.092,  -0.078,   0.375)  ( 0.24,  0.18,  4.06)
183:     vdw     (  3.911,   2.676,   2.455)  (  3.911,   2.676,   2.455)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.080,  -0.003,  -0.041)  ( -0.080,  -0.003,  -0.041)  ( 0.00,  0.00,  0.00)
183: 11       ( -0.026,  -0.445,  -0.490)  ( -0.012,  -0.431,  -0.525)  ( 0.04,  0.66,  1.67)
183:     bond    (  5.504,  -2.491,   1.129)  (  5.508,  -2.486,   1.133)  ( 0.08,  0.18,  0.40)
183:     angle   ( -6.722,   2.765,   0.097)  ( -6.721,   2.767,   0.099)  ( 0.03,  0.07,  0.01)
183:     strbnd  (  4.737,  -1.045,   0.544)  (  4.736,  -1.046,   0.544)  ( 0.02,  0.05,  0.02)
183:     torsion (  0.823,   1.626,  -1.528)  (  0.823,   1.626,  -1.527)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.047,  -0.047,   0.210)  ( -0.038,  -0.038,   0.170)  ( 0.04,  0.04,  0.84)
183:     vdw     ( -4.511,  -1.279,  -1.089)  ( -4.511,  -1.278,  -1.089)  ( 0.00,  0.00,  0.00)
183:     electro (  0.189,   0.026,   0.145)  (  0.189,   0.026,   0.145)  ( 0.00,  0.00,  0.00)
183: 12       (  0.717,  -9.657,   1.652)  (  0.730,  -9.654,   1.624)  ( 0.90,  0.03,  1.69)
183:     bond    ( -2.163, -10.908,   1.525)  ( -2.156, -10.902,   1.525)  ( 0.33,  0.05,  0.02)
183:     angle   (  7.340, -14.819,   2.943)  (  7.342, -14.817,   2.943)  ( 0.03,  0.02,  0.00)
183:     strbnd  (  1.090,   1.959,  -0.206)  (  1.090,   1.958,  -0.206)  ( 0.04,  0.07,  0.00)
183:     torsion (  0.003,  -0.004,  -0.043)  (  0.003,  -0.003,  -0.041)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.016,   0.021,   0.139)  ( -0.012,   0.017,   0.109)  ( 0.01,  0.01,  0.42)
183:     vdw     ( -5.550,  14.354,  -2.772)  ( -5.550,  14.354,  -2.772)  ( 0.00,  0.00,  0.00)
183:     electro (  0.012,  -0.260,   0.065)  (  0.012,  -0.260,   0.065)  ( 0.00,  0.00,  0.00)
183: 13       (  2.460,  -6.087,   1.095)  (  2.467,  -6.080,   1.098)  ( 0.27,  0.12,  0.31)
183:     bond    ( -5.590, -19.311,   2.388)  ( -5.585, -19.306,   2.388)  ( 0.10,  0.03,  0.01)
183:     angle   ( -2.512,   1.805,  -0.566)  ( -2.510,   1.807,  -0.566)  ( 0.06,  0.10,  0.00)
183:     strbnd  (  3.165,   3.520,  -0.196)  (  3.165,   3.520,  -0.196)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.011,  -0.018,  -0.109)  (  0.011,  -0.018,  -0.108)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.000,  -0.000,  -0.000)  ( -0.000,   0.000,   0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.287,   7.764,  -0.420)  (  7.287,   7.764,  -0.420)  ( 0.00,  0.00,  0.00)
183:     electro (  0.099,   0.153,  -0.002)  (  0.099,   0.153,  -0.002)  ( 0.00,  0.00,  0.00)
183: 14       ( -0.730,  -2.358,   0.160)  ( -0.723,  -2.352,   0.165)  ( 0.49,  0.28,  0.07)
183:     bond    (-18.782,  -2.708,  -1.626)  (-18.776,  -2.703,  -1.625)  ( 0.03,  0.18,  0.02)
183:     angle   (  1.613,   0.543,   0.108)  (  1.615,   0.545,   0.108)  ( 0.10,  0.08,  0.00)
183:     strbnd  (  0.794,   1.342,  -0.132)  (  0.794,   1.342,  -0.132)  ( 0.01,  0.02,  0.00)
183:     torsion (  0.006,  -0.009,  -0.062)  (  0.006,  -0.009,  -0.061)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.002,  -0.002,  -0.016)  (  0.001,  -0.002,  -0.013)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 15.838,  -1.596,   1.914)  ( 15.838,  -1.596,   1.914)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.202,   0.073,  -0.025)  ( -0.202,   0.073,  -0.025)  ( 0.00,  0.00,  0.00)
183: 15       (  2.261,  -0.162,   0.226)  (  2.268,  -0.156,   0.225)  ( 0.30,  0.10,  0.02)
183:     bond    ( -3.294,  18.549,  -3.151)  ( -3.288,  18.554,  -3.151)  ( 0.15,  0.03,  0.01)
183:     angle   (  0.378,  -2.944,   0.489)  (  0.379,  -2.943,   0.489)  ( 0.06,  0.05,  0.00)
183:     strbnd  ( -1.098,  -1.073,   0.051)  ( -1.098,  -1.073,   0.051)  ( 0.02,  0.02,  0.00)
183:     torsion (  0.011,  -0.016,  -0.110)  (  0.011,  -0.016,  -0.109)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.002,   0.002,   0.015)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.009, -14.658,   2.893)  (  6.009, -14.658,   2.893)  ( 0.00,  0.00,  0.00)
183:     electro (  0.256,  -0.023,   0.038)  (  0.256,  -0.023,   0.038)  ( 0.00,  0.00,  0.00)
183: 16       ( 12.486,   1.008,   1.043)  ( 12.490,   1.019,   1.066)  ( 0.04,  1.05,  2.16)
183:     bond    ( 19.213,   6.717,   1.018)  ( 19.218,   6.723,   1.018)  ( 0.03,  0.09,  0.03)
183:     angle   (  2.973,   5.082,  -0.490)  (  2.974,   5.083,  -0.490)  ( 0.05,  0.03,  0.00)
183:     strbnd  ( -3.945,  -1.731,  -0.147)  ( -3.945,  -1.731,  -0.147)  ( 0.01,  0.02,  0.00)
183:     torsion (  0.003,  -0.013,  -0.075)  (  0.003,  -0.013,  -0.074)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.006,  -0.010,  -0.064)  (  0.004,  -0.007,  -0.043)  ( 0.00,  0.00,  0.13)
183:     vdw     ( -5.726,  -9.344,   0.835)  ( -5.726,  -9.344,   0.835)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.038,   0.307,  -0.033)  ( -0.038,   0.307,  -0.033)  ( 0.00,  0.00,  0.00)
183: 17       (-13.149,  41.872,  -7.596)  (-13.137,  41.873,  -7.641)  ( 0.08,  0.00,  0.59)
183:     bond    (  7.284,   9.618,  -0.698)  (  7.289,   9.625,  -0.697)  ( 0.07,  0.07,  0.02)
183:     angle   ( -5.871,  33.585,  -5.632)  ( -5.869,  33.587,  -5.631)  ( 0.04,  0.01,  0.00)
183:     strbnd  (  1.328,  -2.439,   0.465)  (  1.328,  -2.439,   0.465)  ( 0.05,  0.01,  0.00)
183:     torsion (  0.017,  -0.014,  -0.098)  (  0.017,  -0.014,  -0.097)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.021,   0.034,   0.221)  ( -0.016,   0.026,   0.174)  ( 0.01,  0.02,  1.03)
181:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
181:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
181:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
181:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
181:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
181:     electro (  3.862,  -1.910,  -1.080)  (  3.862,  -1.910,  -1.080)  ( 0.00,  0.00,  0.00)
181: 13       ( 11.035, -18.539,  -9.258)  ( 11.043, -18.545,  -9.206)  ( 0.07,  0.03,  0.56)
181:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
181:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
181:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
181:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
181:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
181:     electro (  1.819,  -0.598,  -0.177)  (  1.819,  -0.598,  -0.177)  ( 0.00,  0.00,  0.00)
181: 14       (-13.572,  -2.062,   4.766)  (-13.566,  -2.037,   4.696)  ( 0.04,  1.21,  1.46)
181:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
181:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
181:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
181:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
181:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
181:     electro (  0.121,   0.445,  -0.246)  (  0.121,   0.445,  -0.246)  ( 0.00,  0.00,  0.00)
181: 15       ( 12.500, -13.787,  -4.766)  ( 12.462, -13.787,  -4.588)  ( 0.30,  0.01,  3.74)
181:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
181:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
181:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
181:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
181:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
181:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.729,   0.517,  -0.209)  ( -1.729,   0.517,  -0.209)  ( 0.00,  0.00,  0.00)
181: 16       (-16.865,  18.909,   6.325)  (-16.857,  18.931,   6.271)  ( 0.04,  0.12,  0.85)
181:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
181:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
181:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
181:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
181:     electro (  2.351,  -1.893,  -0.439)  (  2.351,  -1.893,  -0.439)  ( 0.00,  0.00,  0.00)
181: 17       ( -6.733,  21.609,   7.933)  ( -6.728,  21.608,   7.955)  ( 0.08,  0.00,  0.28)
181:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
181:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
181:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
181:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
183:     vdw     (-15.787,   1.374,  -1.831)  (-15.786,   1.374,  -1.831)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.100,  -0.286,  -0.023)  ( -0.100,  -0.286,  -0.023)  ( 0.00,  0.00,  0.00)
183: 18       ( 44.495,  -1.551,   2.301)  ( 44.490,  -1.525,   2.423)  ( 0.01,  1.69,  5.31)
183:     bond    ( 18.720,  10.029,   0.469)  ( 18.726,  10.037,   0.469)  ( 0.03,  0.07,  0.01)
183:     angle   (  2.437, -10.834,   1.649)  (  2.439, -10.831,   1.649)  ( 0.09,  0.02,  0.01)
183:     strbnd  ( 18.165,   8.848,   0.274)  ( 18.163,   8.848,   0.274)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.089,   0.096,   0.587)  ( -0.089,   0.096,   0.588)  ( 0.00,  0.00,  0.06)
183:     oop     (  0.077,  -0.115,  -0.815)  (  0.065,  -0.099,  -0.694)  ( 0.10,  0.19,  9.85)
183:     vdw     (  5.264,  -9.676,   0.160)  (  5.264,  -9.676,   0.160)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.078,   0.101,  -0.023)  ( -0.078,   0.101,  -0.023)  ( 0.00,  0.00,  0.00)
183: 19       ( 69.047,  18.195,  -0.422)  ( 69.073,  18.159,  -0.719)  ( 0.04,  0.20, 12.52)
183:     bond    (-11.492, -18.306,   1.768)  (-11.486, -18.298,   1.768)  ( 0.05,  0.04,  0.01)
183:     angle   (101.652,  48.540,   2.493)  (101.655,  48.542,   2.493)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-24.853, -12.078,  -0.240)  (-24.854, -12.079,  -0.240)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.472,  -0.098,  -2.127)  (  0.472,  -0.098,  -2.127)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.075,   0.149,   1.013)  ( -0.056,   0.104,   0.715)  ( 0.14,  0.66, 29.40)
183:     vdw     (  3.529,   0.033,  -3.379)  (  3.529,   0.033,  -3.379)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.186,  -0.044,   0.051)  ( -0.186,  -0.044,   0.051)  ( 0.00,  0.00,  0.00)
183: 20       (-66.666,   1.027,  -3.814)  (-66.673,   1.059,  -3.645)  ( 0.01,  3.11,  4.42)
183:     bond    (  7.165,  11.748,  -1.102)  (  7.168,  11.754,  -1.101)  ( 0.04,  0.05,  0.02)
183:     angle   (-70.683, -26.242,  -1.391)  (-70.681, -26.241,  -1.391)  ( 0.00,  0.00,  0.02)
183:     strbnd  ( -3.515,  15.582,  -2.659)  ( -3.515,  15.582,  -2.659)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.115,   0.289,   1.930)  ( -0.115,   0.289,   1.931)  ( 0.00,  0.00,  0.03)
183:     oop     (  0.033,  -0.067,  -0.441)  (  0.022,  -0.041,  -0.274)  ( 0.04,  0.17,  7.41)
183:     vdw     (  0.077,  -0.056,  -0.476)  (  0.077,  -0.056,  -0.476)  ( 0.00,  0.00,  0.00)
183:     electro (  0.371,  -0.228,   0.325)  (  0.371,  -0.228,   0.325)  ( 0.00,  0.00,  0.00)
183: 21       (-41.992, -33.111,   1.581)  (-41.994, -33.087,   1.701)  ( 0.00,  0.07,  7.60)
183:     bond    (  4.977,   6.420,   0.115)  (  4.980,   6.425,   0.117)  ( 0.08,  0.09,  0.02)
183:     angle   (-47.413, -32.158,  -7.694)  (-47.411, -32.158,  -7.693)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  2.563,  -7.549,   6.232)  (  2.563,  -7.550,   6.232)  ( 0.02,  0.00,  0.01)
183:     torsion (  2.245,   1.464,   5.606)  (  2.245,   1.464,   5.606)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.019,  -0.040,  -0.279)  (  0.012,  -0.023,  -0.161)  ( 0.01,  0.07,  3.29)
183:     vdw     ( -3.043,  -1.120,  -2.528)  ( -3.043,  -1.120,  -2.528)  ( 0.01,  0.00,  0.00)
183:     electro ( -1.339,  -0.127,   0.128)  ( -1.339,  -0.127,   0.128)  ( 0.00,  0.00,  0.00)
183: 22       (-10.516,   3.652,  -0.202)  (-10.513,   3.656,  -0.202)  ( 0.02,  0.11,  0.01)
183:     bond    ( -4.627,  -5.920,  -1.055)  ( -4.624,  -5.916,  -1.055)  ( 0.05,  0.06,  0.01)
183:     angle   ( -1.279,   0.117,   4.947)  ( -1.278,   0.117,   4.948)  ( 0.03,  0.00,  0.01)
183:     strbnd  ( -1.175,  -1.676,  -0.163)  ( -1.175,  -1.676,  -0.163)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.017,   0.448,  -2.440)  ( -0.017,   0.448,  -2.440)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.912,  10.758,  -1.469)  ( -5.912,  10.758,  -1.469)  ( 0.00,  0.00,  0.00)
183:     electro (  2.494,  -0.076,  -0.023)  (  2.494,  -0.076,  -0.023)  ( 0.00,  0.00,  0.00)
183: 23       (  1.691,   0.137,   0.101)  (  1.691,   0.137,   0.111)  ( 0.01,  0.00,  0.10)
183:     bond    (  1.966,   1.803,   0.870)  (  1.968,   1.804,   0.870)  ( 0.09,  0.09,  0.03)
181:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.192,   1.450,   3.884)  ( -0.192,   1.450,   3.884)  ( 0.00,  0.00,  0.00)
181: 18       (  5.790, -10.626,  -8.101)  (  5.796, -10.620,  -8.095)  ( 0.10,  0.05,  0.07)
181:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
181:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
181:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
181:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
181:     electro (  1.186,  -1.127,  -0.621)  (  1.186,  -1.127,  -0.621)  ( 0.00,  0.00,  0.00)
181: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
181:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
181:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
181:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
181:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 20       ( -6.870,  36.702,  -5.681)  ( -6.722,  36.693,  -6.048)  ( 2.15,  0.02,  6.46)
181:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
181:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
181:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
181:     torsion ( -0.784,   0.421,   0.854)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
181:     oop     ( -0.853,   0.117,   2.254)  ( -0.713,   0.098,   1.885)  (11.97,  0.23, 16.38)
181:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
181:     electro (  8.518,  -0.209,   1.778)  (  8.518,  -0.209,   1.778)  ( 0.00,  0.00,  0.00)
181: 21       (-22.969,  25.239, -11.051)  (-22.997,  25.251, -10.962)  ( 0.12,  0.05,  0.80)
181:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
181:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
181:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
181:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
181:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
181:     electro (  5.590,  -5.484,   3.645)  (  5.590,  -5.484,   3.645)  ( 0.00,  0.00,  0.00)
181: 22       ( 25.973,  -4.939,  11.390)  ( 25.954,  -4.927,  11.463)  ( 0.08,  0.25,  0.64)
181:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
181:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
181:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
181:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
181:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
181:     electro (  0.800,  -1.878,   0.388)  (  0.800,  -1.878,   0.388)  ( 0.00,  0.00,  0.00)
181: 23       (-28.137, -37.839,  -8.334)  (-28.148, -37.828,  -8.283)  ( 0.04,  0.03,  0.61)
181:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
181:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
181:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
181:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
181:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
181:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
181:     electro ( -3.179,  -3.546,  -0.964)  ( -3.179,  -3.546,  -0.964)  ( 0.00,  0.00,  0.00)
181: 24       (-10.644,  46.320,  -7.304)  (-10.601,  46.321,  -7.383)  ( 0.41,  0.00,  1.07)
181:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
181:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
181:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
181:     torsion ( -0.033,  -0.002,   0.110)  ( -0.033,  -0.002,   0.110)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.164,   0.025,   0.425)  ( -0.132,   0.020,   0.344)  ( 0.53,  0.01,  3.44)
181:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
181:     electro (-13.123,   4.494,  -5.786)  (-13.123,   4.494,  -5.786)  ( 0.00,  0.00,  0.00)
181: 25       (  2.890, -52.759,   7.938)  (  2.866, -52.746,   8.021)  ( 0.81,  0.03,  1.05)
181:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
181:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
181:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.692,  -0.055,  -1.836)  (  0.692,  -0.055,  -1.835)  ( 0.01,  0.00,  0.06)
181:     oop     (  0.204,  -0.021,  -0.530)  (  0.173,  -0.017,  -0.449)  ( 0.63,  0.01,  4.31)
181:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
181:     electro (  1.360,   6.242,   2.061)  (  1.360,   6.242,   2.061)  ( 0.00,  0.00,  0.00)
181: 26       (-24.717, -18.946,  -4.036)  (-24.728, -18.935,  -3.986)  ( 0.04,  0.06,  1.24)
181:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
181:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
181:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
181:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.328,   0.932,  -0.167)  ( -0.328,   0.932,  -0.167)  ( 0.00,  0.00,  0.00)
181: 27       ( 43.032,  25.104,  14.730)  ( 43.049,  25.107,  14.703)  ( 0.04,  0.01,  0.19)
181:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
181:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
181:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
181:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
181:     electro (  1.760,   1.432,   0.427)  (  1.760,   1.432,   0.427)  ( 0.00,  0.00,  0.00)
181: 28       ( 11.894, -38.621,   7.172)  ( 11.897, -38.613,   7.186)  ( 0.02,  0.02,  0.20)
181:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
181:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
181:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
181:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
181:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
179:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
179: 29       ( 12.404,   3.421,   4.782)  ( 12.393,   3.426,   4.831)  ( 0.09,  0.14,  1.01)
179:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
179:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
179:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
179:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
179:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
179:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
179: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
179:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
179:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
179:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
179:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
179:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
179:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
179: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
179:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
179:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
179:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
179:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
179:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
179:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
179: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
179:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
179:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
179:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
179:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
179:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
179:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
179:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
179:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
179:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
179:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
179:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
183:     angle   ( -1.373,   1.481,   0.033)  ( -1.372,   1.481,   0.033)  ( 0.03,  0.03,  0.00)
183:     strbnd  (  0.378,  -0.636,  -0.059)  (  0.378,  -0.636,  -0.059)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.041,   0.040,  -0.176)  (  0.041,   0.040,  -0.176)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.014,   0.015,  -0.064)  (  0.012,   0.013,  -0.054)  ( 0.00,  0.00,  0.06)
183:     vdw     (  0.864,  -2.400,  -0.448)  (  0.864,  -2.400,  -0.448)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.200,  -0.165,  -0.054)  ( -0.200,  -0.165,  -0.054)  ( 0.00,  0.00,  0.00)
183: 24       ( -1.132,  -0.023,   0.800)  ( -1.131,  -0.020,   0.801)  ( 0.07,  0.01,  0.05)
183:     bond    (  0.429,   2.379,  -0.283)  (  0.429,   2.383,  -0.283)  ( 0.00,  0.13,  0.00)
183:     angle   (  0.284,  -0.374,  -2.715)  (  0.285,  -0.374,  -2.714)  ( 0.02,  0.00,  0.02)
183:     strbnd  ( -0.744,  -0.761,   0.185)  ( -0.744,  -0.761,   0.185)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.625,   0.065,  -0.401)  ( -0.625,   0.065,  -0.401)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.476,  -1.332,   4.015)  ( -0.476,  -1.332,   4.015)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       ( -0.216,   0.307,   0.417)  ( -0.215,   0.308,   0.419)  ( 0.03,  0.03,  0.10)
183:     bond    ( -0.012,  -0.007,  -0.021)  ( -0.011,  -0.007,  -0.018)  ( 0.00,  0.00,  0.00)
183:     angle   ( -1.034,   6.306,  -1.664)  ( -1.034,   6.306,  -1.664)  ( 0.04,  0.01,  0.01)
183:     strbnd  ( -0.562,   0.219,   0.095)  ( -0.562,   0.219,   0.095)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.037,  -1.134,   0.433)  ( -0.037,  -1.134,   0.433)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.429,  -5.077,   1.574)  (  1.429,  -5.077,   1.574)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       ( -0.284,  -0.046,  -0.073)  ( -0.283,  -0.045,  -0.071)  ( 0.02,  0.01,  0.02)
183:     bond    ( -0.628,   1.336,   2.092)  ( -0.627,   1.337,   2.095)  ( 0.01,  0.07,  0.11)
183:     angle   ( -0.745,  -7.579,   4.614)  ( -0.744,  -7.579,   4.614)  ( 0.03,  0.01,  0.00)
183:     strbnd  ( -0.133,  -0.439,   0.449)  ( -0.133,  -0.439,   0.449)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.063,   0.000,  -0.019)  ( -0.063,   0.000,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.284,   6.636,  -7.210)  (  1.284,   6.636,  -7.210)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       ( -0.055,   0.024,   0.090)  ( -0.053,   0.026,   0.091)  ( 0.01,  0.00,  0.01)
183:     bond    (  0.526,  -0.388,   0.144)  (  0.528,  -0.387,   0.144)  ( 0.11,  0.04,  0.00)
183:     angle   (  0.050,  -0.042,  -0.294)  (  0.050,  -0.042,  -0.294)  ( 0.00,  0.00,  0.02)
183:     strbnd  ( -0.519,  -0.146,   0.412)  ( -0.519,  -0.147,   0.412)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.024,   0.049,   0.043)  (  0.024,   0.049,   0.043)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.136,   0.552,  -0.214)  ( -0.136,   0.552,  -0.214)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       (  0.017,  -0.066,  -0.165)  (  0.019,  -0.065,  -0.164)  ( 0.00,  0.01,  0.01)
183:     bond    ( -0.618,  -0.478,  -0.203)  ( -0.616,  -0.477,  -0.203)  ( 0.12,  0.06,  0.00)
183:     angle   (  0.508,  -0.622,  -0.082)  (  0.508,  -0.622,  -0.081)  ( 0.01,  0.02,  0.00)
183:     strbnd  (  0.062,  -0.250,   0.582)  (  0.062,  -0.250,   0.582)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.032,  -0.035,  -0.016)  (  0.032,  -0.035,  -0.016)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.032,   1.319,  -0.446)  (  0.032,   1.319,  -0.446)  ( 0.00,  0.00,  0.00)
181:     electro (  0.245,  -5.228,   0.497)  (  0.245,  -5.228,   0.497)  ( 0.00,  0.00,  0.00)
181: 29       ( 12.410,   3.420,   4.766)  ( 12.399,   3.425,   4.814)  ( 0.09,  0.14,  1.01)
181:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
181:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
181:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
181:     torsion ( -0.049,   0.009,   0.126)  ( -0.049,   0.009,   0.127)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
181:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
181:     electro ( -4.665,  -1.154,  -1.568)  ( -4.665,  -1.154,  -1.568)  ( 0.00,  0.00,  0.00)
181: 30       ( -0.901,  29.900,  -2.380)  ( -0.892,  29.905,  -2.388)  ( 0.85,  0.02,  0.32)
181:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
181:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
181:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
181:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
181:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
181:     electro (  1.563,  -1.700,   0.754)  (  1.563,  -1.700,   0.754)  ( 0.00,  0.00,  0.00)
181: 31       ( -2.541,  -1.390,   5.410)  ( -2.521,  -1.388,   5.379)  ( 0.76,  0.19,  0.57)
181:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
181:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
181:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
181:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
181:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
181:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
181:     electro ( -1.188,  -0.749,  -0.319)  ( -1.188,  -0.749,  -0.319)  ( 0.00,  0.00,  0.00)
181: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
181:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
181:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
181:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
181:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
181:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
181:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
181:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
181:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
181:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
181:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
181:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
179:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
179:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
179:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
179:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
179:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
179:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
179:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
179:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
179:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
179:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
179:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
179:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 29       ( -0.042,   0.017,   0.205)  ( -0.040,   0.019,   0.206)  ( 0.01,  0.00,  0.03)
183:     bond    (  0.190,  -0.138,   0.157)  (  0.192,  -0.137,   0.158)  ( 0.03,  0.01,  0.02)
183:     angle   ( -1.278,  -5.641,  -3.328)  ( -1.277,  -5.640,  -3.328)  ( 0.02,  0.01,  0.01)
183:     strbnd  ( -0.058,  -0.697,   0.159)  ( -0.058,  -0.697,   0.159)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.378,   0.160,   0.596)  ( -0.378,   0.160,   0.596)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.482,   6.333,   2.621)  (  1.482,   6.333,   2.621)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       (  0.055,  -0.028,   0.141)  (  0.056,  -0.027,   0.144)  ( 0.01,  0.00,  0.03)
183:     bond    ( -0.443,  -0.386,   0.756)  ( -0.442,  -0.386,   0.759)  ( 0.03,  0.02,  0.16)
183:     angle   ( -0.262,  -0.474,  -0.393)  ( -0.261,  -0.474,  -0.393)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.413,  -0.294,  -0.338)  ( -0.413,  -0.294,  -0.338)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.017,  -0.020,  -0.001)  (  0.017,  -0.020,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.156,   1.146,   0.117)  (  1.156,   1.146,   0.117)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       ( -0.052,   0.041,   0.085)  ( -0.051,   0.043,   0.086)  ( 0.01,  0.01,  0.01)
183:     bond    (  0.468,  -0.992,  -0.774)  (  0.469,  -0.990,  -0.773)  ( 0.02,  0.18,  0.09)
183:     angle   ( -4.788,   0.065,  -2.987)  ( -4.788,   0.065,  -2.987)  ( 0.01,  0.00,  0.01)
183:     strbnd  ( -0.780,   0.245,   0.269)  ( -0.780,   0.245,   0.269)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.095,  -0.413,   0.587)  (  0.095,  -0.413,   0.587)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.954,   1.137,   2.990)  (  4.954,   1.137,   2.990)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       (  0.029,  -0.014,  -0.100)  (  0.031,  -0.012,  -0.100)  ( 0.01,  0.00,  0.01)
183:     bond    (  0.990,   1.125,   0.207)  (  0.992,   1.126,   0.207)  ( 0.14,  0.17,  0.00)
183:     angle   (  3.214,  -2.731,  -0.541)  (  3.214,  -2.730,  -0.540)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  0.051,  -0.498,  -0.006)  (  0.050,  -0.498,  -0.006)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.050,  -0.015,   0.320)  ( -0.050,  -0.015,   0.320)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.176,   2.106,  -0.080)  ( -4.176,   2.106,  -0.080)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       (  0.011,   0.007,  -0.103)  (  0.012,   0.009,  -0.100)  ( 0.00,  0.00,  0.02)
183:     bond    (  0.411,  -0.710,  -1.123)  (  0.412,  -0.709,  -1.121)  ( 0.01,  0.06,  0.20)
183:     angle   (  2.741,   1.372,   0.138)  (  2.741,   1.373,   0.138)  ( 0.02,  0.03,  0.00)
183:     strbnd  (  0.276,  -0.000,   0.286)  (  0.276,  -0.000,   0.286)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.286,  -0.647,   0.304)  ( -0.286,  -0.647,   0.304)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.131,  -0.007,   0.292)  ( -3.131,  -0.007,   0.292)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 34       (  0.075,  -0.007,  -0.103)  (  0.076,  -0.006,  -0.101)  ( 0.00,  0.00,  0.02)
183:     bond    (  0.035,  -0.551,   0.735)  (  0.035,  -0.550,   0.737)  ( 0.00,  0.07,  0.16)
183:     angle   (  1.556,   0.759,   0.492)  (  1.556,   0.759,   0.493)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  0.359,  -0.089,  -0.017)  (  0.359,  -0.089,  -0.017)  ( 0.00,  0.00,  0.00)
179: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
179:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
179:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
179:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
179:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
179:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
179:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
179:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
179:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
179:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
179:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
179:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
179:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
179:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
179:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
179:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
179:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
179:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
179: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
179:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
179:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
179:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
179:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
179:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
179:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
179: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
179:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
179:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
179:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
179:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
179:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
179:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
179: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
179:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
179:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
179:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
179:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
179:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
179:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
179:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
179:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
179:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
183:     torsion ( -0.120,  -0.433,  -0.317)  ( -0.120,  -0.433,  -0.317)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.755,   0.308,  -0.996)  ( -1.755,   0.308,  -0.996)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 35       (  1.245,  -1.321,   0.243)  (  1.246,  -1.318,   0.245)  ( 0.14,  0.22,  0.04)
183:     bond    (  0.213,   0.288,  -0.021)  (  0.214,   0.290,  -0.021)  ( 0.03,  0.07,  0.00)
183:     angle   (  0.833,  -0.601,   0.186)  (  0.834,  -0.601,   0.186)  ( 0.04,  0.01,  0.00)
183:     strbnd  ( -0.999,  -1.463,   0.119)  ( -0.999,  -1.463,   0.119)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.009,  -0.013,  -0.082)  (  0.009,  -0.012,  -0.082)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,  -0.001,  -0.006)  (  0.001,  -0.001,  -0.005)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.020,   0.438,   0.043)  (  1.020,   0.438,   0.043)  ( 0.00,  0.00,  0.00)
183:     electro (  0.168,   0.031,   0.005)  (  0.168,   0.031,   0.005)  ( 0.00,  0.00,  0.00)
183: 36       ( -2.391,   0.421,  -0.415)  ( -2.388,   0.421,  -0.415)  ( 0.15,  0.03,  0.01)
183:     bond    ( -5.388,   0.685,  -0.688)  ( -5.385,   0.685,  -0.688)  ( 0.07,  0.01,  0.01)
183:     angle   (  0.045,   0.310,  -0.042)  (  0.045,   0.310,  -0.042)  ( 0.00,  0.02,  0.00)
183:     strbnd  (  2.007,  -0.547,   0.301)  (  2.007,  -0.547,   0.301)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.009,  -0.013,  -0.086)  (  0.009,  -0.013,  -0.086)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,   0.002)  ( -0.000,   0.000,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.742,   0.024,   0.077)  (  0.742,   0.024,   0.077)  ( 0.00,  0.00,  0.00)
183:     electro (  0.194,  -0.038,   0.022)  (  0.194,  -0.038,   0.022)  ( 0.00,  0.00,  0.00)
183: 37       ( -1.434,   2.065,  -0.475)  ( -1.433,   2.068,  -0.473)  ( 0.07,  0.16,  0.09)
183:     bond    ( -2.234,   4.953,  -0.997)  ( -2.234,   4.956,  -0.997)  ( 0.03,  0.06,  0.01)
183:     angle   ( -0.493,  -0.226,  -0.021)  ( -0.492,  -0.226,  -0.021)  ( 0.03,  0.00,  0.00)
183:     strbnd  (  1.102,  -1.804,   0.396)  (  1.102,  -1.804,   0.396)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,   0.002,   0.011)  ( -0.001,   0.002,   0.012)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,  -0.001,  -0.009)  (  0.001,  -0.001,  -0.008)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.196,  -0.710,   0.128)  (  0.196,  -0.710,   0.128)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.004,  -0.149,   0.017)  ( -0.004,  -0.149,   0.017)  ( 0.00,  0.00,  0.00)
183: 38       (  1.261,  -0.145,   0.322)  (  1.263,  -0.142,   0.326)  ( 0.13,  0.04,  0.10)
183:     bond    ( -0.248,  -0.326,   0.024)  ( -0.247,  -0.323,   0.024)  ( 0.03,  0.08,  0.00)
183:     angle   (  0.899,  -0.672,   0.202)  (  0.899,  -0.671,   0.202)  ( 0.04,  0.02,  0.00)
183:     strbnd  (  1.310,   0.895,   0.002)  (  1.310,   0.895,   0.002)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.019,   0.028,   0.183)  ( -0.019,   0.028,   0.183)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.001,  -0.002,  -0.014)  (  0.001,  -0.002,  -0.011)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.358,  -0.523,   0.041)  ( -0.358,  -0.523,   0.041)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.324,   0.454,  -0.114)  ( -0.324,   0.454,  -0.114)  ( 0.00,  0.00,  0.00)
183: 39       (  8.893, -15.193,   1.966)  (  8.900, -15.196,   1.907)  ( 0.09,  0.02,  2.99)
183:     bond    ( -3.197, -11.479,   1.163)  ( -3.196, -11.474,   1.163)  ( 0.01,  0.04,  0.01)
183:     angle   (  7.253,  -1.945,   0.745)  (  7.253,  -1.945,   0.745)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  0.555,  -2.428,   0.351)  (  0.555,  -2.428,   0.351)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.097,  -0.119,  -0.912)  (  0.097,  -0.119,  -0.912)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.026,   0.033,   0.255)  ( -0.020,   0.025,   0.195)  ( 0.02,  0.03,  1.50)
183:     vdw     (  5.776,  -0.126,   0.438)  (  5.776,  -0.126,   0.438)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.565,   0.871,  -0.073)  ( -1.565,   0.871,  -0.073)  ( 0.00,  0.00,  0.00)
183: ok 28 # gradients 
183: ok 29 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/ibuprofen.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       (-37.071, -81.376,  -8.715)  (-37.065, -81.370,  -8.711)  ( 0.01,  0.01,  0.06)
183:     bond    ( -6.927,  -6.224,   0.204)  ( -6.923,  -6.219,   0.208)  ( 0.06,  0.08,  0.07)
183:     angle   (-43.402, -92.594,  -5.039)  (-43.401, -92.592,  -5.037)  ( 0.00,  0.00,  0.03)
183:     strbnd  ( 17.017,  19.808,  -1.013)  ( 17.017,  19.807,  -1.014)  ( 0.00,  0.00,  0.03)
183:     torsion ( -0.140,   0.089,  -0.286)  ( -0.140,   0.089,  -0.286)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.619,  -2.454,  -2.581)  ( -3.619,  -2.454,  -2.581)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  2       (-39.440,   2.545,  50.699)  (-39.434,   2.550,  50.705)  ( 0.01,  0.18,  0.01)
183:     bond    (  2.221,   0.743,  -4.295)  (  2.225,   0.746,  -4.291)  ( 0.19,  0.23,  0.10)
183:     angle   (-30.186,   6.101,  43.460)  (-30.184,   6.103,  43.462)  ( 0.01,  0.03,  0.00)
183:     strbnd  ( -8.549,  -6.318,  14.014)  ( -8.550,  -6.318,  14.014)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.634,  -0.131,  -0.999)  ( -0.634,  -0.131,  -0.999)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.292,   2.150,  -1.482)  ( -2.292,   2.150,  -1.482)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  3       ( -1.269,  40.025, -47.383)  ( -1.404,  39.151, -47.725)  (10.68,  2.19,  0.72)
183:     bond    ( -0.509,   0.513,  -6.367)  ( -0.504,   0.517,  -6.364)  ( 0.25,  0.20,  0.05)
183:     angle   ( 13.510,  14.854, -42.989)  ( 13.512,  14.856, -42.987)  ( 0.01,  0.01,  0.00)
183:     strbnd  (-14.490,   2.857,  -6.469)  (-14.491,   2.857,  -6.469)  ( 0.01,  0.01,  0.01)
183:     torsion (  0.820,  13.476,   6.086)  (  0.820,  13.476,   6.086)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.965,   7.596,   5.726)  ( -1.106,   6.716,   5.379)  (13.62, 11.59,  6.06)
183:     vdw     (  0.470,   0.645,  -3.276)  (  0.471,   0.645,  -3.276)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.106,   0.085,  -0.093)  ( -0.106,   0.085,  -0.093)  ( 0.00,  0.00,  0.00)
183:  4       ( -3.751,  47.995,  62.741)  ( -3.746,  48.001,  62.747)  ( 0.14,  0.01,  0.01)
183:     bond    ( -1.086,   2.486,   9.511)  ( -1.082,   2.490,   9.516)  ( 0.33,  0.17,  0.05)
183:     angle   ( -4.863,  51.765,  70.840)  ( -4.861,  51.767,  70.842)  ( 0.04,  0.00,  0.00)
183:     strbnd  (  4.026, -10.734, -19.678)  (  4.025, -10.735, -19.679)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.144,   0.700,  -0.367)  (  0.144,   0.700,  -0.367)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.972,   3.779,   2.435)  ( -1.972,   3.779,   2.435)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       (-38.552, -131.229, -55.358)  (-37.756, -128.992, -53.392)  ( 2.07,  1.70,  3.55)
183:     bond    (  8.677, -20.361, -12.122)  (  8.681, -20.358, -12.120)  ( 0.05,  0.02,  0.02)
183:     angle   (-36.816, -71.485,  11.280)  (-36.815, -71.484,  11.281)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( 12.873,  -5.181,   7.752)  ( 12.873,  -5.181,   7.752)  ( 0.00,  0.00,  0.01)
183:     torsion (-12.225, -29.725, -36.119)  (-12.225, -29.725, -36.119)  ( 0.00,  0.00,  0.00)
183:     oop     ( -5.173, -18.341, -24.805)  ( -4.382, -16.108, -22.842)  (15.29, 12.17,  7.91)
183:     vdw     ( -5.982,  13.988,  -1.401)  ( -5.982,  13.988,  -1.401)  ( 0.00,  0.00,  0.00)
183:     electro (  0.094,  -0.124,   0.056)  (  0.094,  -0.124,   0.056)  ( 0.00,  0.00,  0.00)
183:  6       ( 59.731,  60.969,  24.972)  ( 58.945,  59.687,  24.144)  ( 1.32,  2.10,  3.32)
183:     bond    ( -6.489, -13.464,  18.197)  ( -6.484, -13.459,  18.199)  ( 0.07,  0.03,  0.01)
183:     angle   ( 37.474,  50.266, -17.881)  ( 37.475,  50.267, -17.880)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -3.586,  -8.839,   8.084)  ( -3.586,  -8.840,   8.084)  ( 0.01,  0.00,  0.00)
183:     torsion ( 14.651,  15.387,  15.614)  ( 14.652,  15.387,  15.614)  ( 0.00,  0.00,  0.00)
183:     oop     (  6.902,   8.223,   9.114)  (  6.110,   6.936,   8.282)  (11.47, 15.66,  9.13)
183:     vdw     ( 10.851,   9.567,  -8.214)  ( 10.851,   9.567,  -8.214)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.073,  -0.171,   0.058)  ( -0.073,  -0.171,   0.058)  ( 0.00,  0.00,  0.00)
183:  7       (-98.469, -30.215,   3.140)  (-97.137, -30.467,   3.742)  ( 1.35,  0.83, 19.15)
183:     bond    (-36.725,  -4.863,   0.794)  (-36.719,  -4.859,   0.795)  ( 0.01,  0.08,  0.10)
183:     angle   (-40.863, -11.120,  -0.055)  (-40.862, -11.119,  -0.054)  ( 0.00,  0.01,  0.00)
183:     strbnd  (-15.761, -19.921,  -0.231)  (-15.761, -19.921,  -0.231)  ( 0.00,  0.00,  0.00)
183:     torsion (-16.151,  -0.989,   6.996)  (-16.151,  -0.989,   6.996)  ( 0.00,  0.00,  0.01)
183:     oop     ( -6.016,   1.821,   0.042)  ( -4.691,   1.564,   0.642)  (22.03, 14.13,  2.51)
183:     vdw     ( 17.210,   4.832,  -4.353)  ( 17.210,   4.832,  -4.353)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.162,   0.025,  -0.053)  ( -0.162,   0.025,  -0.053)  ( 0.00,  0.00,  0.00)
183:  8       ( 43.352, -30.505,  99.229)  ( 42.057, -30.082,  96.879)  ( 2.99,  1.39,  2.37)
183:     bond    (  0.216,  13.908,  14.316)  (  0.219,  13.913,  14.318)  ( 0.06,  0.04,  0.01)
183:     angle   ( 11.911, -57.274,  71.476)  ( 11.912, -57.273,  71.477)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 12.084,  27.937,   5.019)  ( 12.083,  27.936,   5.019)  ( 0.00,  0.00,  0.00)
183:     torsion (  3.830,   0.035,  -3.860)  (  3.830,   0.035,  -3.861)  ( 0.00,  0.00,  0.00)
183:     oop     (  8.502,  -2.885,  10.470)  (  7.204,  -2.469,   8.117)  (15.27, 14.44, 22.47)
183:     vdw     (  7.198, -12.680,   2.190)  (  7.198, -12.679,   2.190)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.389,   0.454,  -0.382)  ( -0.389,   0.454,  -0.382)  ( 0.00,  0.00,  0.00)
183:  9       ( 32.784,  53.653, -118.720)  ( 32.158,  52.563, -117.998)  ( 1.91,  2.03,  0.61)
183:     bond    ( 10.817,   9.746, -28.895)  ( 10.820,   9.748, -28.889)  ( 0.03,  0.02,  0.02)
183:     angle   ( 35.048,  51.699, -72.855)  ( 35.049,  51.701, -72.854)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.568,  -4.532,  -8.148)  (  0.567,  -4.532,  -8.148)  ( 0.01,  0.00,  0.00)
183:     torsion ( -4.728,  -6.617, -17.279)  ( -4.728,  -6.618, -17.279)  ( 0.00,  0.01,  0.00)
183:     oop     (  1.204,   5.714,  -4.530)  (  0.573,   4.622,  -3.815)  (52.37, 19.12, 15.77)
183:     vdw     (-10.056,  -2.512,  13.221)  (-10.056,  -2.512,  13.222)  ( 0.00,  0.01,  0.00)
183:     electro ( -0.068,   0.155,  -0.235)  ( -0.068,   0.155,  -0.235)  ( 0.00,  0.00,  0.00)
183: 10       ( -2.856, -19.715, 132.354)  ( -2.826, -20.000, 130.748)  ( 1.05,  1.45,  1.21)
183:     bond    ( 18.269,   6.335,   0.967)  ( 18.273,   6.339,   0.970)  ( 0.02,  0.07,  0.23)
183:     angle   (-27.608, -36.500,  84.948)  (-27.607, -36.499,  84.949)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( 12.909,   2.314,  -3.833)  ( 12.909,   2.313,  -3.833)  ( 0.00,  0.02,  0.00)
183:     torsion (  5.991,   6.815,  25.602)  (  5.992,   6.815,  25.602)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.582,   4.956,  14.815)  (  0.605,   4.666,  13.205)  ( 1.37,  5.85, 10.86)
183:     vdw     (-13.143,  -3.558,   9.953)  (-13.143,  -3.558,   9.953)  ( 0.00,  0.00,  0.00)
183:     electro (  0.145,  -0.076,  -0.098)  (  0.145,  -0.076,  -0.098)  ( 0.00,  0.00,  0.00)
183: 11       ( 47.621, -23.666, -61.746)  ( 37.332, -24.369, -53.148)  (21.61,  2.97, 13.92)
183:     bond    (-11.073,   2.546,  -4.952)  (-11.069,   2.550,  -4.949)  ( 0.04,  0.18,  0.08)
183:     angle   ( 14.987, -10.150, -58.721)  ( 14.989, -10.148, -58.720)  ( 0.01,  0.02,  0.00)
183:     strbnd  ( 17.268, -10.877,  11.808)  ( 17.267, -10.878,  11.807)  ( 0.00,  0.01,  0.01)
183:     torsion (  6.129,   3.198,  15.790)  (  6.129,   3.198,  15.790)  ( 0.00,  0.00,  0.00)
183:     oop     ( 18.909,  -6.132, -23.821)  (  8.614,  -6.841, -15.228)  (54.44, 11.57, 36.07)
183:     vdw     (  1.389,  -2.494,  -1.281)  (  1.389,  -2.494,  -1.281)  ( 0.00,  0.00,  0.00)
183:     electro (  0.012,   0.244,  -0.569)  (  0.012,   0.244,  -0.569)  ( 0.00,  0.00,  0.00)
183: 12       ( 31.693, -14.126, -65.659)  ( 31.699, -14.121, -65.654)  ( 0.02,  0.04,  0.01)
181:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
181:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
181:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
181:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
181:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
181:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
181:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
181:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
181:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
181:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
181:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
181:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
181:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
181:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
181:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
181:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
181:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
181:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
181:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
181:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
181:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
181:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
181:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
181:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
181:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
181:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
181:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
181:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
181:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
181:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 45       (  6.016,   7.613,   2.296)  (  6.018,   7.618,   2.287)  ( 0.03,  0.06,  0.41)
181:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
181:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
181:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
181:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
181:     electro ( -2.535,   0.041,   0.419)  ( -2.535,   0.041,   0.419)  ( 0.00,  0.00,  0.00)
181: 46       ( -0.787,   8.785,   2.088)  ( -0.787,   8.791,   2.076)  ( 0.06,  0.07,  0.60)
181:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
181:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
181:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
181:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
181:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
181:     electro (  0.216,  -0.076,  -0.108)  (  0.216,  -0.076,  -0.108)  ( 0.00,  0.00,  0.00)
181: 47       (  3.539,  -5.729,  -2.999)  (  3.540,  -5.736,  -2.962)  ( 0.03,  0.12,  1.22)
181:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
181:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
181:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
181:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
181:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
181:     electro (  0.548,   2.584,  -0.118)  (  0.548,   2.584,  -0.118)  ( 0.00,  0.00,  0.00)
181: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
181:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
181:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
181:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
181:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
181:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
181:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
181:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
181:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
181:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
181:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
183:     bond    (  4.025,  -3.189,  -9.311)  (  4.029,  -3.185,  -9.307)  ( 0.10,  0.12,  0.05)
183:     angle   ( 35.137, -10.001, -64.710)  ( 35.139, -10.000, -64.708)  ( 0.01,  0.02,  0.00)
183:     strbnd  ( -5.006,   4.101,  11.332)  ( -5.006,   4.101,  11.331)  ( 0.01,  0.01,  0.01)
183:     torsion ( -2.865,  -1.801,  -0.962)  ( -2.865,  -1.801,  -0.962)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.401,  -3.237,  -2.009)  (  0.401,  -3.237,  -2.009)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       (-44.134, -77.724, 137.267)  (-23.402, -75.683, 122.411)  (46.97,  2.63, 10.82)
183:     bond    ( -2.460,   4.359,  -8.933)  ( -2.456,   4.363,  -8.924)  ( 0.18,  0.08,  0.10)
183:     angle   ( 29.524, -109.944, 134.355)  ( 29.525, -109.943, 134.355)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-14.951,  10.444, -24.236)  (-14.952,  10.444, -24.237)  ( 0.01,  0.01,  0.01)
183:     torsion (  1.176,  -3.022,  -8.395)  (  1.176,  -3.022,  -8.396)  ( 0.06,  0.00,  0.01)
183:     oop     (-59.918,  23.973,  41.115)  (-39.191,  26.010,  26.252)  (34.59,  8.49, 36.15)
183:     vdw     (  2.638,  -3.488,   3.777)  (  2.638,  -3.488,   3.777)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.142,  -0.047,  -0.416)  ( -0.142,  -0.047,  -0.416)  ( 0.00,  0.00,  0.00)
183: 14       (-74.159,  -4.011, -45.310)  (-74.368,  -3.653, -44.962)  ( 0.28,  8.92,  0.77)
183:     bond    (  2.608,   8.877,  -3.192)  (  2.609,   8.883,  -3.190)  ( 0.05,  0.08,  0.06)
183:     angle   (-96.717,  12.033, -55.420)  (-96.718,  12.033, -55.421)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -4.852, -11.840,   5.276)  ( -4.852, -11.840,   5.276)  ( 0.00,  0.00,  0.00)
183:     torsion ( 10.732,   0.866,  11.025)  ( 10.727,   0.866,  11.022)  ( 0.04,  0.00,  0.03)
183:     oop     ( 12.415, -11.706,  -6.666)  ( 12.210, -11.356,  -6.316)  ( 1.65,  3.00,  5.26)
183:     vdw     (  1.533,  -1.793,   3.152)  (  1.533,  -1.793,   3.152)  ( 0.00,  0.00,  0.00)
183:     electro (  0.122,  -0.447,   0.515)  (  0.122,  -0.447,   0.515)  ( 0.00,  0.00,  0.00)
183: 15       ( 72.737, 109.579, -59.037)  ( 62.796, 108.005, -52.228)  (13.67,  1.44, 11.53)
183:     bond    (  2.268,   0.918,   3.526)  (  2.270,   0.919,   3.532)  ( 0.12,  0.04,  0.18)
183:     angle   ( 44.112, 114.284, -58.082)  ( 44.112, 114.285, -58.082)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  4.938,   2.167,   7.080)  (  4.938,   2.167,   7.080)  ( 0.01,  0.01,  0.00)
183:     torsion ( -3.970,   1.783,   2.088)  ( -3.970,   1.783,   2.088)  ( 0.00,  0.00,  0.00)
183:     oop     ( 25.969,  -6.898, -14.899)  ( 16.024,  -8.474,  -8.097)  (38.29, 22.85, 45.66)
183:     vdw     (  0.595,  -0.501,   0.672)  (  0.595,  -0.501,   0.672)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.174,  -2.174,   0.579)  ( -1.174,  -2.174,   0.579)  ( 0.00,  0.00,  0.00)
183: 16       ( 10.862,  32.599,  -5.193)  ( 10.865,  32.600,  -5.193)  ( 0.03,  0.00,  0.01)
183:     bond    ( 12.564,  -2.116,  -0.282)  ( 12.567,  -2.116,  -0.282)  ( 0.02,  0.01,  0.00)
183:     angle   (  5.837,  35.355,  -5.146)  (  5.837,  35.356,  -5.145)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -6.059,   0.924,   0.108)  ( -6.059,   0.924,   0.108)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.025,   0.048,   0.772)  (  0.025,   0.048,   0.772)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.506,  -1.612,  -0.646)  ( -1.506,  -1.612,  -0.646)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 17       ( 23.103,  21.401, -13.776)  ( 23.104,  21.402, -13.774)  ( 0.00,  0.01,  0.01)
183:     bond    (  0.013,   7.722,   8.189)  (  0.013,   7.723,   8.191)  ( 0.00,  0.02,  0.02)
183:     angle   ( 23.319,  18.754, -17.721)  ( 23.319,  18.754, -17.721)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -0.112,  -4.214,  -4.433)  ( -0.112,  -4.214,  -4.433)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.254,  -0.191,   0.179)  (  0.254,  -0.191,   0.179)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
181:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
181:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
181:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
181:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
181:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
181:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 53       ( 15.405,  -4.653,   1.433)  ( 15.399,  -4.646,   1.450)  ( 0.04,  0.14,  1.21)
181:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
181:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
181:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.646,  -0.155,  -1.646)  (  0.647,  -0.155,  -1.645)  ( 0.00,  0.00,  0.01)
181:     oop     (  0.061,  -0.014,  -0.154)  (  0.054,  -0.013,  -0.138)  ( 0.04,  0.00,  0.26)
181:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
181:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
181: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
181:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
181:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
181:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
181:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
181:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
181:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
181:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
181:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
181:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
179:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
179:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
179:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
179:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
179:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
179:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 53       ( 15.230,  -4.611,   1.878)  ( 15.245,  -4.609,   1.844)  ( 0.09,  0.04,  1.78)
179:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
179:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
179:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
179:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
179:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
179:     electro (  2.690,   5.376,  -3.118)  (  2.690,   5.375,  -3.118)  ( 0.00,  0.00,  0.00)
179: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
179:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
179:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
179:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
179:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
179:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
179:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
179:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
179:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
179:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
181:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
181:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
181:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
181:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
181:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
181:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
181:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
181:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
181:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
181:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
181:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
181:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
181:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
181:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
181:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
181:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
181:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
181:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
181:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
181:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
181:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
181:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
181:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
181: ok 36 # gradients 
210/229 Test #181: test_ffmmff94_3 ..................   Passed  129.73 sec
test 214
        Start 214: pytest_babel

214: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_babel.cmake"
214: Test timeout computed to be: 1500
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
179:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
179:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
179:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
179:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
179:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
179:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
179:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
179:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
179:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
179:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
179:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
179:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
179:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
179:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
183:     vdw     ( -0.370,  -0.670,   0.010)  ( -0.370,  -0.670,   0.010)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 18       ( 33.905,  23.432,  15.855)  ( 33.905,  23.433,  15.857)  ( 0.00,  0.01,  0.01)
183:     bond    (  0.412,   8.070,  -8.784)  (  0.412,   8.072,  -8.782)  ( 0.00,  0.02,  0.02)
183:     angle   ( 35.086,  20.894,  20.850)  ( 35.086,  20.894,  20.850)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -0.271,  -3.980,   4.289)  ( -0.271,  -3.980,   4.289)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.050,  -0.044,  -0.038)  (  0.050,  -0.044,  -0.038)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.372,  -1.509,  -0.461)  ( -1.372,  -1.509,  -0.461)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 19       (  7.842,  13.549,  15.910)  (  7.843,  13.550,  15.912)  ( 0.01,  0.01,  0.01)
183:     bond    (  4.298,  -5.557,  10.878)  (  4.298,  -5.556,  10.880)  ( 0.01,  0.01,  0.02)
183:     angle   (  5.140,  17.037,   6.669)  (  5.140,  17.038,   6.669)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.222,   0.518,  -1.052)  ( -0.222,   0.518,  -1.052)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.333,  -0.021,  -0.143)  (  0.333,  -0.021,  -0.143)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.708,   1.572,  -0.443)  ( -1.707,   1.572,  -0.443)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       ( 24.224,   9.746,   3.735)  ( 24.225,   9.747,   3.737)  ( 0.00,  0.01,  0.06)
183:     bond    (  0.205,   8.145,  12.537)  (  0.205,   8.145,  12.539)  ( 0.00,  0.01,  0.02)
183:     angle   ( 25.409,   2.588,  -2.097)  ( 25.410,   2.588,  -2.096)  ( 0.00,  0.01,  0.01)
183:     strbnd  ( -0.027,  -1.112,  -1.794)  ( -0.027,  -1.112,  -1.794)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.559,  -0.957,   0.631)  ( -0.559,  -0.957,   0.631)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.804,   1.083,  -5.542)  ( -0.804,   1.083,  -5.542)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       (-14.013,  -5.680, -13.049)  (-14.012,  -5.678, -13.048)  ( 0.01,  0.05,  0.00)
183:     bond    ( -4.768, -11.721,   2.019)  ( -4.767, -11.719,   2.019)  ( 0.01,  0.02,  0.01)
183:     angle   ( -9.742,   1.595, -13.739)  ( -9.741,   1.596, -13.738)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  0.618,   1.701,  -0.398)  (  0.618,   1.701,  -0.398)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.143,   0.073,   0.763)  (  0.143,   0.073,   0.763)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.264,   2.671,  -1.694)  ( -0.263,   2.671,  -1.694)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 22       (-11.466, -17.731, -34.136)  (-11.464, -17.730, -34.135)  ( 0.02,  0.00,  0.00)
183:     bond    ( 10.515,  -3.031,  -3.787)  ( 10.517,  -3.031,  -3.787)  ( 0.02,  0.01,  0.01)
183:     angle   (-17.099, -17.314, -33.631)  (-17.099, -17.314, -33.630)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -4.687,   1.352,   1.833)  ( -4.687,   1.352,   1.833)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.036,  -0.401,   0.221)  ( -0.036,  -0.401,   0.221)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.159,   1.663,   1.228)  ( -0.159,   1.663,   1.228)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       (  9.654, -14.702, -18.379)  (  9.655, -14.701, -18.377)  ( 0.01,  0.01,  0.01)
183:     bond    ( -3.691,   5.903, -11.062)  ( -3.691,   5.904, -11.060)  ( 0.01,  0.01,  0.02)
214: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
179:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
179:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
179:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
179:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
179:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
179:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
179:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
179:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
179:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
179: ok 36 # gradients 
211/229 Test #179: test_ffmmff94_1 ..................   Passed  134.67 sec
test 215
        Start 215: pytest_sym

215: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_sym.cmake"
215: Test timeout computed to be: 1500
215: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
183:     angle   ( 12.954, -19.869, -14.929)  ( 12.955, -19.869, -14.929)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  1.489,  -2.332,   4.677)  (  1.489,  -2.332,   4.677)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.247,  -0.126,   0.015)  ( -0.247,  -0.126,   0.015)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.851,   1.721,   2.920)  ( -0.851,   1.721,   2.920)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       ( 14.540,  -7.004, -26.289)  ( 14.541,  -7.001, -26.288)  ( 0.01,  0.04,  0.00)
183:     bond    ( -4.182,  -9.280,  -1.526)  ( -4.182,  -9.277,  -1.526)  ( 0.01,  0.03,  0.01)
183:     angle   ( 17.244,  -3.364, -26.810)  ( 17.244,  -3.364, -26.810)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  2.112,   4.668,   0.929)  (  2.112,   4.668,   0.929)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.199,  -0.107,   0.107)  (  0.199,  -0.107,   0.107)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.832,   1.079,   1.011)  ( -0.832,   1.079,   1.011)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       ( -2.164,  11.131,  -4.375)  ( -2.098,  11.194,  -4.198)  ( 3.06,  0.57,  4.03)
183:     bond    ( -0.517,  -0.905,   0.501)  ( -0.517,  -0.903,   0.502)  ( 0.04,  0.21,  0.04)
183:     angle   ( -5.394,   1.536,  -2.786)  ( -5.394,   1.537,  -2.786)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  4.247,   7.387,  -3.525)  (  4.247,   7.387,  -3.525)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.245,   2.897,   3.928)  ( -1.245,   2.897,   3.928)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.602,  -0.657,  -1.800)  ( -0.537,  -0.596,  -1.625)  ( 3.91,  3.97,  9.75)
183:     vdw     (  1.342,   0.777,  -0.631)  (  1.342,   0.777,  -0.631)  ( 0.00,  0.00,  0.00)
183:     electro (  0.006,   0.097,  -0.061)  (  0.006,   0.097,  -0.061)  ( 0.00,  0.00,  0.00)
183: 26       (  7.727,  -9.491, -15.626)  (  7.376,  -9.247, -15.019)  ( 4.55,  2.57,  3.89)
183:     bond    (  0.510,   0.130,   0.247)  (  0.513,   0.130,   0.248)  ( 0.15,  0.00,  0.02)
183:     angle   ( -0.687,  -4.473,   3.772)  ( -0.687,  -4.472,   3.772)  ( 0.00,  0.01,  0.00)
183:     strbnd  ( -3.764,  -0.803,  -0.766)  ( -3.764,  -0.803,  -0.766)  ( 0.00,  0.00,  0.01)
183:     torsion (  8.777,  -3.424, -16.387)  (  8.777,  -3.424, -16.387)  ( 0.00,  0.00,  0.00)
183:     oop     (  1.606,  -0.922,  -2.844)  (  1.252,  -0.679,  -2.237)  (22.07, 22.40, 21.34)
183:     vdw     (  1.106,  -0.058,   0.139)  (  1.106,  -0.058,   0.139)  ( 0.00,  0.00,  0.00)
183:     electro (  0.179,   0.059,   0.214)  (  0.179,   0.059,   0.214)  ( 0.00,  0.00,  0.00)
183: 27       (-10.244,  -1.168,  -0.252)  ( -9.709,  -0.459,  -0.350)  ( 5.21, 60.69,  2.46)
183:     bond    ( -0.257,   0.039,  -1.081)  ( -0.257,   0.039,  -1.078)  ( 0.01,  0.00,  0.33)
183:     angle   ( -2.751,   5.638,   0.859)  ( -2.751,   5.638,   0.859)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.092,   0.684,  -4.568)  ( -0.092,   0.685,  -4.568)  ( 0.00,  0.00,  0.00)
183:     torsion ( -4.710,  -4.641,   0.953)  ( -4.710,  -4.641,   0.953)  ( 0.00,  0.00,  0.00)
183:     oop     ( -2.117,  -3.288,   0.385)  ( -1.584,  -2.580,   0.284)  (25.20, 21.55,  3.90)
183:     vdw     ( -0.554,   0.339,   2.803)  ( -0.554,   0.339,   2.803)  ( 0.00,  0.00,  0.00)
183:     electro (  0.238,   0.061,   0.396)  (  0.238,   0.061,   0.396)  ( 0.00,  0.00,  0.00)
183: 28       (-35.334,  35.042, -12.778)  (-35.136,  35.088, -12.476)  ( 0.56,  0.13,  2.36)
183:     bond    ( -0.608,  -0.110,   0.410)  ( -0.606,  -0.110,   0.411)  ( 0.16,  0.00,  0.05)
183:     angle   (-20.084,  33.989, -20.477)  (-20.083,  33.989, -20.477)  ( 0.00,  0.00,  0.00)
183:     strbnd  (-11.144,  -1.712,   8.116)  (-11.144,  -1.712,   8.116)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.403,   5.730,  -0.531)  ( -1.403,   5.730,  -0.531)  ( 0.00,  0.00,  0.00)
183:     oop     ( -1.298,  -1.456,  -2.303)  ( -1.102,  -1.410,  -2.002)  (15.09,  3.14, 13.07)
183:     vdw     ( -0.679,  -1.424,   2.000)  ( -0.679,  -1.424,   2.000)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.118,   0.025,   0.007)  ( -0.118,   0.025,   0.007)  ( 0.00,  0.00,  0.00)
183: 29       (  6.269,   4.842,  17.665)  (  6.271,   4.844,  17.666)  ( 0.04,  0.03,  0.00)
183:     bond    ( 13.347,   7.815,   1.928)  ( 13.349,   7.816,   1.928)  ( 0.02,  0.01,  0.01)
183:     angle   ( -3.942,   1.678,  20.486)  ( -3.942,   1.679,  20.487)  ( 0.01,  0.03,  0.00)
183:     strbnd  ( -1.485,  -0.391,  -0.372)  ( -1.485,  -0.391,  -0.372)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.296,   0.484,   0.090)  ( -0.296,   0.484,   0.090)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.355,  -4.745,  -4.467)  ( -1.355,  -4.744,  -4.467)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       ( -8.350,   0.131,  25.967)  ( -8.349,   0.134,  25.968)  ( 0.01,  0.04,  0.00)
183:     bond    ( -1.481,  11.557,   2.165)  ( -1.481,  11.560,   2.165)  ( 0.01,  0.03,  0.01)
183:     angle   ( -9.788,  -6.150,  26.139)  ( -9.788,  -6.150,  26.139)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.626,  -4.365,  -1.021)  (  0.626,  -4.365,  -1.021)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.782,   0.049,   0.957)  (  1.782,   0.049,   0.957)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.511,  -0.961,  -2.273)  (  0.511,  -0.961,  -2.273)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 31       (-14.899,  11.820,  16.748)  (-14.898,  11.820,  16.750)  ( 0.01,  0.01,  0.01)
183:     bond    (  5.176,  -2.757,  10.225)  (  5.177,  -2.757,  10.227)  ( 0.01,  0.01,  0.02)
183:     angle   (-19.241,  13.946,  13.498)  (-19.241,  13.947,  13.498)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -2.072,   1.072,  -4.471)  ( -2.072,   1.072,  -4.471)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.541,   0.941,  -0.020)  (  0.541,   0.941,  -0.020)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.698,  -1.382,  -2.484)  (  0.698,  -1.382,  -2.484)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 32       ( -4.993,  10.176,  24.023)  ( -4.991,  10.177,  24.024)  ( 0.05,  0.01,  0.00)
183:     bond    (-10.690,  -3.803,   2.337)  (-10.687,  -3.803,   2.338)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.606,  13.614,  24.917)  (  0.606,  13.614,  24.917)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  3.553,   1.168,  -0.972)  (  3.553,   1.168,  -0.972)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.030,   0.061,  -0.037)  ( -0.030,   0.061,  -0.037)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.567,  -0.863,  -2.222)  (  1.567,  -0.863,  -2.222)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       ( 15.026, -20.398, -24.613)  ( 15.025, -20.394, -24.614)  ( 0.01,  0.02,  0.00)
183:     bond    ( -4.753, -12.511,   5.560)  ( -4.753, -12.507,   5.561)  ( 0.01,  0.03,  0.01)
183:     angle   ( 21.861, -17.415, -20.481)  ( 21.860, -17.414, -20.482)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  2.809,   8.054,  -3.331)  (  2.809,   8.054,  -3.331)  ( 0.00,  0.00,  0.00)
183:     torsion ( -6.332,  -0.435,  -6.389)  ( -6.334,  -0.435,  -6.390)  ( 0.02,  0.00,  0.02)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.007,   0.074,  -0.052)  (  0.007,   0.074,  -0.052)  ( 0.00,  0.00,  0.00)
183:     electro (  1.436,   1.834,   0.082)  (  1.436,   1.834,   0.082)  ( 0.00,  0.00,  0.00)
183: ok 30 # gradients 
183: ok 31 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/penicillin.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       (  0.503,   0.593,   0.614)  (  0.557,   0.679,   0.432)  ( 2.71,  5.12, 11.17)
183:     bond    (  6.922,   0.175,   2.287)  (  6.926,   0.180,   2.292)  ( 0.06,  0.08,  0.20)
183:     angle   ( -5.931,   2.410,   0.271)  ( -5.930,   2.412,   0.272)  ( 0.03,  0.08,  0.04)
183:     strbnd  (  0.198,   0.872,   0.213)  (  0.197,   0.872,   0.213)  ( 0.01,  0.04,  0.01)
183:     torsion (  0.668,  -0.373,  -2.325)  (  0.668,  -0.373,  -2.325)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.334,  -0.538,   1.283)  ( -0.285,  -0.457,   1.096)  ( 1.63,  4.32, 14.61)
183:     vdw     ( -0.832,  -1.739,  -0.997)  ( -0.832,  -1.739,  -0.997)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.186,  -0.215,  -0.118)  ( -0.186,  -0.215,  -0.118)  ( 0.00,  0.00,  0.00)
183:  2       (  0.433,   1.527,  -2.187)  (  0.299,   1.272,  -1.566)  ( 5.83, 16.72, 28.38)
183:     bond    ( -2.739,   1.957,  -0.129)  ( -2.733,   1.965,  -0.128)  ( 0.24,  0.42,  0.02)
183:     angle   ( 14.443,  -7.136,   1.147)  ( 14.446,  -7.134,   1.148)  ( 0.02,  0.02,  0.06)
183:     strbnd  ( -7.334,   6.670,   1.385)  ( -7.335,   6.668,   1.385)  ( 0.01,  0.03,  0.02)
183:     torsion ( -0.037,   0.168,   0.014)  ( -0.037,   0.168,   0.014)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.865,   1.488,  -3.541)  (  0.722,   1.224,  -2.922)  (12.35, 17.72, 17.47)
183:     vdw     ( -4.625,  -1.230,  -1.537)  ( -4.625,  -1.230,  -1.537)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.140,  -0.389,   0.474)  ( -0.140,  -0.389,   0.474)  ( 0.00,  0.00,  0.00)
183:  3       ( -0.029,  -0.024,   0.069)  ( -0.028,  -0.021,   0.070)  ( 0.00,  0.01,  0.00)
183:     bond    (  0.134,   0.394,  -0.032)  (  0.135,   0.397,  -0.032)  ( 0.00,  0.12,  0.00)
183:     angle   (  1.589,  -0.626,  -1.067)  (  1.590,  -0.626,  -1.067)  ( 0.03,  0.00,  0.04)
183:     strbnd  (  0.319,   0.162,   0.070)  (  0.319,   0.162,   0.070)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.341,   0.212,   1.185)  ( -0.341,   0.212,   1.185)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.730,  -0.167,  -0.086)  ( -1.730,  -0.167,  -0.086)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  4       (  0.009,  -0.000,   0.009)  (  0.010,   0.001,   0.011)  ( 0.00,  0.00,  0.00)
183:     bond    (  0.230,  -0.232,  -0.242)  (  0.231,  -0.231,  -0.241)  ( 0.03,  0.03,  0.03)
183:     angle   (  3.596,   2.214,   1.320)  (  3.596,   2.214,   1.320)  ( 0.01,  0.01,  0.02)
183:     strbnd  (  0.657,  -0.379,  -0.320)  (  0.657,  -0.379,  -0.320)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.004,   0.023,  -0.019)  (  0.004,   0.023,  -0.019)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.478,  -1.627,  -0.730)  ( -4.478,  -1.627,  -0.730)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( -0.022,  -0.019,   0.016)  ( -0.022,  -0.018,   0.019)  ( 0.00,  0.00,  0.01)
183:     bond    (  0.002,  -0.007,   0.018)  (  0.002,  -0.007,   0.021)  ( 0.00,  0.00,  0.01)
183:     angle   (  0.435,  -0.097,  -0.074)  (  0.436,  -0.096,  -0.074)  ( 0.02,  0.00,  0.00)
183:     strbnd  (  0.316,  -0.158,   0.593)  (  0.316,  -0.158,   0.593)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.046,   0.322,   0.110)  ( -0.046,   0.322,   0.110)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.730,  -0.080,  -0.631)  ( -0.730,  -0.080,  -0.631)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  6       ( -1.261, -10.162,  -2.054)  ( -1.171, -10.002,  -2.417)  ( 7.10,  1.58, 17.66)
183:     bond    ( -2.835,   3.345,   0.762)  ( -2.831,   3.350,   0.763)  ( 0.13,  0.16,  0.02)
183:     angle   ( -1.494,  -1.139,  -0.542)  ( -1.493,  -1.138,  -0.541)  ( 0.03,  0.02,  0.01)
183:     strbnd  (  7.239,  -8.454,  -1.930)  (  7.239,  -8.454,  -1.930)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.143,   0.217,  -0.423)  (  0.143,   0.217,  -0.423)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.410,  -0.742,   1.739)  ( -0.325,  -0.588,   1.376)  ( 3.49, 11.48, 20.89)
183:     vdw     ( -4.309,  -6.669,  -2.520)  ( -4.309,  -6.669,  -2.520)  ( 0.00,  0.00,  0.00)
183:     electro (  0.405,   3.280,   0.859)  (  0.405,   3.280,   0.859)  ( 0.00,  0.00,  0.00)
183:  7       (  8.086,  -2.297,   5.227)  (  8.018,  -2.411,   5.470)  ( 0.83,  4.98,  4.67)
183:     bond    ( 17.866,  -2.904,   4.744)  ( 17.871,  -2.899,   4.745)  ( 0.03,  0.18,  0.03)
183:     angle   ( -8.512,  -0.397,  -1.184)  ( -8.510,  -0.396,  -1.183)  ( 0.02,  0.07,  0.06)
183:     strbnd  (  0.437,  -1.121,  -0.832)  (  0.437,  -1.122,  -0.833)  ( 0.02,  0.06,  0.02)
183:     torsion ( -1.343,  -1.618,   4.839)  ( -1.343,  -1.618,   4.840)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.386,   0.773,  -1.451)  (  0.312,   0.652,  -1.209)  ( 2.86,  9.34, 16.66)
183:     vdw     (  1.892,   2.121,   0.955)  (  1.893,   2.121,   0.955)  ( 0.01,  0.00,  0.00)
183:     electro ( -2.641,   0.850,  -1.845)  ( -2.641,   0.850,  -1.845)  ( 0.00,  0.00,  0.00)
183:  8       ( -1.549,   2.804,   0.093)  ( -1.512,   2.887,  -0.063)  ( 2.38,  2.95,  1.44)
183:     bond    ( -1.088,   0.983,   0.272)  ( -1.086,   0.985,   0.272)  ( 0.24,  0.21,  0.00)
183:     angle   ( -1.860,  -1.398,  -2.356)  ( -1.859,  -1.398,  -2.356)  ( 0.02,  0.02,  0.01)
183:     strbnd  ( -0.431,   2.009,   1.109)  ( -0.431,   2.009,   1.109)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.178,   0.549,  -1.277)  (  0.178,   0.549,  -1.277)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.244,  -0.585,   1.144)  ( -0.210,  -0.505,   0.988)  ( 0.82,  4.70, 13.65)
183:     vdw     (  1.404,   2.236,   1.130)  (  1.404,   2.236,   1.130)  ( 0.00,  0.00,  0.00)
183:     electro (  0.492,  -0.990,   0.070)  (  0.492,  -0.990,   0.070)  ( 0.00,  0.00,  0.00)
183:  9       (  2.604,   1.389,   2.014)  (  3.702,   2.430,   2.209)  (42.15, 74.99,  9.68)
183:     bond    ( -7.812,  -8.638,  -5.588)  ( -7.808,  -8.633,  -5.586)  ( 0.05,  0.05,  0.04)
183:     angle   ( 12.778,  11.374,  19.741)  ( 12.780,  11.376,  19.743)  ( 0.02,  0.02,  0.01)
183:     strbnd  (  4.362,   3.842,  -7.340)  (  4.361,   3.842,  -7.341)  ( 0.02,  0.02,  0.01)
183:     torsion ( -1.339,  -2.456,  -4.051)  ( -1.339,  -2.456,  -4.051)  ( 0.00,  0.00,  0.00)
183:     oop     ( -4.513,  -5.190,  -1.298)  ( -3.420,  -4.155,  -1.107)  (24.21, 19.95, 14.74)
183:     vdw     (  0.230,   3.142,   1.240)  (  0.230,   3.143,   1.240)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.103,  -0.686,  -0.690)  ( -1.103,  -0.686,  -0.690)  ( 0.00,  0.00,  0.00)
183: 10       ( -1.066,   5.610,  -2.893)  ( -0.982,   5.420,  -3.059)  ( 7.81,  3.39,  5.71)
183:     bond    ( -0.630,   1.775,  12.572)  ( -0.627,   1.778,  12.577)  ( 0.18,  0.16,  0.04)
183:     angle   (  6.045,   0.014, -16.923)  (  6.048,   0.016, -16.921)  ( 0.04,  0.00,  0.01)
183:     strbnd  ( -7.393,  -1.780,  -1.355)  ( -7.394,  -1.782,  -1.356)  ( 0.01,  0.08,  0.05)
183:     torsion ( -2.978,   1.047,  -0.463)  ( -2.978,   1.047,  -0.463)  ( 0.00,  0.00,  0.00)
183:     oop     (  1.166,   3.054,   2.028)  (  1.244,   2.860,   1.857)  ( 6.76,  6.34,  8.45)
183:     vdw     (  2.417,   3.304,   0.233)  (  2.417,   3.304,   0.233)  ( 0.00,  0.00,  0.00)
183:     electro (  0.307,  -1.802,   1.015)  (  0.307,  -1.802,   1.015)  ( 0.00,  0.00,  0.00)
183: 11       (  1.808,  -9.619,  -1.369)  (  2.211,  -7.418,  -0.964)  (22.27, 22.88, 29.59)
183:     bond    ( 10.742,   6.592,  -1.930)  ( 10.747,   6.594,  -1.926)  ( 0.05,  0.02,  0.18)
183:     angle   ( -4.937, -17.076,   7.817)  ( -4.936, -17.075,   7.819)  ( 0.04,  0.01,  0.03)
183:     strbnd  ( -1.830,  -0.656,   3.895)  ( -1.830,  -0.657,   3.894)  ( 0.03,  0.03,  0.01)
183:     torsion (  5.970,  14.380,  -7.419)  (  5.971,  14.380,  -7.419)  ( 0.00,  0.00,  0.00)
183:     oop     ( -6.219, -17.227,  -5.679)  ( -5.823, -15.030,  -5.279)  ( 6.37, 12.76,  7.04)
183:     vdw     ( -1.251,   1.961,   1.619)  ( -1.251,   1.961,   1.619)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.667,   2.408,   0.327)  ( -0.667,   2.408,   0.327)  ( 0.00,  0.00,  0.00)
183: 12       ( -0.015,  -0.043,  -0.016)  ( -0.014,  -0.042,  -0.013)  ( 0.00,  0.01,  0.00)
183:     bond    ( -0.064,  -0.227,  -0.383)  ( -0.063,  -0.226,  -0.380)  ( 0.00,  0.02,  0.10)
183:     angle   ( -5.122,  -0.874,   1.372)  ( -5.121,  -0.873,   1.372)  ( 0.01,  0.03,  0.01)
183:     strbnd  (  0.712,   0.432,   0.989)  (  0.712,   0.432,   0.989)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.289,  -0.711,   0.374)  (  0.289,  -0.711,   0.374)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.169,   1.337,  -2.368)  (  4.169,   1.337,  -2.368)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 13       (  0.174,  -1.208,  -0.013)  (  0.176,  -1.206,  -0.012)  ( 0.04,  0.16,  0.00)
183:     bond    (  7.080, -17.260,   8.482)  (  7.081, -17.259,   8.482)  ( 0.02,  0.01,  0.00)
183:     angle   ( -5.148,   2.623,  -1.308)  ( -5.148,   2.624,  -1.307)  ( 0.00,  0.03,  0.05)
183:     strbnd  ( -0.387,   6.300,  -1.373)  ( -0.387,   6.299,  -1.373)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.837,   0.450,   0.871)  (  0.837,   0.450,   0.871)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.152,   6.289,  -6.678)  ( -2.152,   6.289,  -6.677)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.055,   0.391,  -0.007)  ( -0.055,   0.391,  -0.007)  ( 0.00,  0.00,  0.00)
183: 14       ( -1.151,   8.695,   3.501)  ( -5.409,   3.347,   2.087)  (369.90, 61.50, 40.40)
183:     bond    (  1.728,   7.650, -26.617)  (  1.731,   7.651, -26.606)  ( 0.18,  0.02,  0.04)
183:     angle   (-12.444,  -3.256,  -6.802)  (-12.443,  -3.255,  -6.800)  ( 0.01,  0.03,  0.03)
183:     strbnd  ( -0.283,  -8.072,  23.375)  ( -0.284,  -8.072,  23.374)  ( 0.01,  0.00,  0.01)
183:     torsion ( -1.208,  -7.791,   2.702)  ( -1.208,  -7.791,   2.702)  ( 0.01,  0.00,  0.00)
183:     oop     ( 16.911,  22.685,   7.558)  ( 12.649,  17.335,   6.131)  (25.21, 23.58, 18.88)
183:     vdw     ( -7.544,  -1.421,   3.983)  ( -7.544,  -1.421,   3.983)  ( 0.00,  0.00,  0.00)
183:     electro (  1.689,  -1.100,  -0.697)  (  1.689,  -1.100,  -0.697)  ( 0.00,  0.00,  0.00)
183: 15       (  0.005,   0.033,  -0.033)  (  0.006,   0.036,  -0.032)  ( 0.00,  0.01,  0.00)
183:     bond    ( -0.124,  -3.231,  -0.971)  ( -0.124,  -3.228,  -0.971)  ( 0.00,  0.10,  0.03)
183:     angle   (  4.975,   0.074,  -0.882)  (  4.976,   0.074,  -0.882)  ( 0.01,  0.00,  0.04)
183:     strbnd  ( -1.156,   1.633,  -0.157)  ( -1.156,   1.633,  -0.157)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.003,  -0.118,   0.391)  ( -0.003,  -0.118,   0.391)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.688,   1.674,   1.586)  ( -3.688,   1.674,   1.586)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 16       ( -7.534,  -3.810,   1.039)  ( -4.877,  -0.640,   2.015)  (35.26, 83.21, 93.87)
183:     bond    ( -4.283,  -2.663,  20.496)  ( -4.282,  -2.663,  20.505)  ( 0.01,  0.00,  0.05)
183:     angle   ( -0.168,   2.881,   0.339)  ( -0.168,   2.882,   0.339)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  4.201,   1.886, -19.314)  (  4.201,   1.886, -19.314)  ( 0.00,  0.01,  0.00)
183:     torsion (  1.537,   3.049,   0.717)  (  1.537,   3.049,   0.717)  ( 0.00,  0.00,  0.00)
183:     oop     ( -7.000,  -8.683,  -2.589)  ( -4.344,  -5.513,  -1.623)  (37.94, 36.51, 37.31)
183:     vdw     ( -3.415,  -0.431,   2.105)  ( -3.415,  -0.431,   2.105)  ( 0.00,  0.00,  0.00)
183:     electro (  1.594,   0.150,  -0.714)  (  1.594,   0.150,  -0.714)  ( 0.00,  0.00,  0.00)
183: 17       ( -0.036,   2.770,  -1.504)  ( -0.031,   2.774,  -1.500)  ( 0.02,  0.15,  0.30)
183:     bond    ( -7.091,   2.130,  -1.977)  ( -7.088,   2.132,  -1.974)  ( 0.05,  0.14,  0.17)
183:     angle   (  4.462,   8.345,  -1.889)  (  4.464,   8.347,  -1.887)  ( 0.04,  0.02,  0.09)
183:     strbnd  (  3.433,  -7.634,   3.029)  (  3.432,  -7.635,   3.028)  ( 0.02,  0.01,  0.02)
183:     torsion ( -1.295,  -0.201,  -0.359)  ( -1.295,  -0.201,  -0.359)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.436,   1.064,  -0.784)  (  0.436,   1.064,  -0.784)  ( 0.00,  0.00,  0.00)
183:     electro (  0.019,  -0.933,   0.477)  (  0.019,  -0.933,   0.477)  ( 0.00,  0.00,  0.00)
183: 18       (  4.892,  -0.985,   0.285)  (  5.287,  -1.716,  -0.060)  ( 8.09, 71.97,  9.84)
183:     bond    (  2.690,  -5.259,  -9.175)  (  2.694,  -5.255,  -9.171)  ( 0.14,  0.07,  0.05)
183:     angle   (  0.459,   8.749,   5.203)  (  0.461,   8.751,   5.206)  ( 0.09,  0.02,  0.04)
183:     strbnd  (  3.654,  -2.284,  -2.072)  (  3.653,  -2.285,  -2.073)  ( 0.03,  0.02,  0.02)
183:     torsion (  2.026,  -5.810,   3.568)  (  2.026,  -5.810,   3.568)  ( 0.00,  0.00,  0.00)
183:     oop     ( -2.189,   4.693,   2.103)  ( -1.798,   3.957,   1.752)  (17.86, 15.67, 16.70)
183:     vdw     (  0.057,  -1.642,   0.671)  (  0.057,  -1.642,   0.671)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.806,   0.567,  -0.013)  ( -1.806,   0.567,  -0.013)  ( 0.00,  0.00,  0.00)
183: 19       (  0.014,  -0.054,   0.035)  (  0.020,  -0.048,   0.040)  ( 0.01,  0.03,  0.02)
183:     bond    ( -4.572,   7.582,   9.251)  ( -4.568,   7.586,   9.256)  ( 0.10,  0.06,  0.05)
183:     angle   (  4.311, -10.172,  -3.123)  (  4.312, -10.170,  -3.121)  ( 0.04,  0.02,  0.06)
183:     strbnd  ( -2.161,   2.017,   1.879)  ( -2.161,   2.016,   1.878)  ( 0.02,  0.03,  0.04)
183:     torsion ( -0.707,  -0.056,  -0.329)  ( -0.707,  -0.056,  -0.328)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.144,   0.575,  -7.644)  (  3.144,   0.575,  -7.644)  ( 0.00,  0.00,  0.00)
183:     electro (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       (  0.055,   0.023,  -0.083)  (  0.061,   0.028,  -0.077)  ( 0.03,  0.01,  0.05)
183:     bond    ( -7.858,  -5.077,  -5.109)  ( -7.854,  -5.072,  -5.105)  ( 0.05,  0.09,  0.09)
183:     angle   (  6.358,   2.036,   6.266)  (  6.360,   2.038,   6.268)  ( 0.03,  0.09,  0.03)
183:     strbnd  ( -2.171,  -0.422,  -1.231)  ( -2.172,  -0.423,  -1.232)  ( 0.04,  0.02,  0.05)
183:     torsion (  0.971,  -0.883,  -0.568)  (  0.971,  -0.883,  -0.568)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.756,   4.369,   0.559)  (  2.756,   4.369,   0.559)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 21       (  0.488,   0.737,  -2.713)  ( -0.474,   0.559,  -1.918)  (46.96, 13.13, 29.31)
183:     bond    ( -7.303,  18.452,  -4.755)  ( -7.301,  18.461,  -4.751)  ( 0.03,  0.05,  0.10)
183:     angle   ( 11.493, -17.158,   1.980)  ( 11.494, -17.156,   1.981)  ( 0.01,  0.01,  0.07)
183:     strbnd  ( -4.739,   3.053,  -5.420)  ( -4.739,   3.052,  -5.421)  ( 0.01,  0.04,  0.02)
183:     torsion ( -1.507,   0.152,   2.650)  ( -1.507,   0.152,   2.650)  ( 0.01,  0.00,  0.00)
183:     oop     (  5.247,   1.013,  -4.389)  (  4.282,   0.825,  -3.599)  (18.39, 18.57, 18.00)
183:     vdw     ( -2.898,  -4.553,   6.605)  ( -2.898,  -4.553,   6.605)  ( 0.00,  0.00,  0.00)
183:     electro (  0.195,  -0.222,   0.617)  (  0.195,  -0.222,   0.617)  ( 0.00,  0.00,  0.00)
183: 22       (  0.011,   0.068,   0.026)  (  0.012,   0.070,   0.029)  ( 0.00,  0.01,  0.01)
183:     bond    (  0.328,  -2.247,  -3.859)  (  0.328,  -2.246,  -3.857)  ( 0.00,  0.04,  0.06)
183:     angle   ( -0.121,   1.446,  -0.853)  ( -0.120,   1.446,  -0.853)  ( 0.01,  0.03,  0.01)
183:     strbnd  (  0.002,   0.481,   0.353)  (  0.002,   0.481,   0.353)  ( 0.00,  0.00,  0.00)
183:     torsion ( -2.329,  -0.221,  -0.069)  ( -2.329,  -0.221,  -0.069)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.131,   0.609,   4.454)  (  2.131,   0.609,   4.454)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( -3.234,   0.160,   0.213)  ( -3.041,   0.205,   0.050)  ( 5.98,  0.73,  3.48)
183:     bond    (  2.346,  -0.713,   2.597)  (  2.348,  -0.708,   2.600)  ( 0.09,  0.35,  0.10)
183:     angle   ( -9.647,   2.693,  -9.181)  ( -9.647,   2.694,  -9.181)  ( 0.00,  0.05,  0.00)
183:     strbnd  (  2.977,   2.363,   3.838)  (  2.977,   2.363,   3.837)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.013,   0.016,  -0.011)  (  0.013,   0.016,  -0.011)  ( 0.00,  0.00,  0.00)
183:     oop     ( -1.579,  -0.309,   1.374)  ( -1.388,  -0.270,   1.208)  (12.09,  1.23, 12.08)
183:     vdw     (  1.642,  -3.834,   1.605)  (  1.642,  -3.834,   1.605)  ( 0.00,  0.00,  0.00)
183:     electro (  1.014,  -0.057,  -0.008)  (  1.014,  -0.057,  -0.008)  ( 0.00,  0.00,  0.00)
183: 24       (  0.004,   0.003,  -0.053)  (  0.005,   0.004,  -0.052)  ( 0.00,  0.00,  0.01)
183:     bond    ( -1.196,   1.182,  -0.827)  ( -1.194,   1.183,  -0.827)  ( 0.12,  0.11,  0.05)
183:     angle   ( -1.332,  -1.852,  -0.728)  ( -1.331,  -1.852,  -0.727)  ( 0.02,  0.02,  0.03)
183:     strbnd  (  0.241,  -1.027,   0.189)  (  0.241,  -1.026,   0.189)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.038,   0.002,   0.057)  ( -0.038,   0.002,   0.057)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.329,   1.697,   1.256)  (  2.329,   1.697,   1.256)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       ( -0.012,  -0.040,  -0.043)  ( -0.010,  -0.039,  -0.041)  ( 0.00,  0.01,  0.01)
183:     bond    ( -1.200,  -1.265,   1.435)  ( -1.199,  -1.264,   1.436)  ( 0.08,  0.08,  0.10)
183:     angle   ( -2.311,  -0.524,  -2.391)  ( -2.311,  -0.524,  -2.391)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.046,   0.131,  -0.817)  ( -0.046,   0.131,  -0.817)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.070,  -0.086,  -0.017)  (  0.070,  -0.086,  -0.017)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.476,   1.704,   1.748)  (  3.476,   1.704,   1.748)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       (  0.017,   0.031,  -0.062)  (  0.018,   0.032,  -0.060)  ( 0.00,  0.00,  0.01)
183:     bond    (  0.799,  -1.340,  -1.580)  (  0.799,  -1.338,  -1.578)  ( 0.04,  0.09,  0.11)
183:     angle   ( -3.338,  -0.613,  -1.171)  ( -3.337,  -0.613,  -1.171)  ( 0.01,  0.02,  0.02)
183:     strbnd  ( -0.745,   0.134,   0.227)  ( -0.745,   0.134,   0.227)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.007,  -0.067,   0.060)  (  0.007,  -0.067,   0.060)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.293,   1.916,   2.401)  (  3.293,   1.916,   2.401)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       ( -0.029,  -0.013,  -0.016)  ( -0.027,  -0.011,  -0.015)  ( 0.01,  0.00,  0.00)
183:     bond    ( -1.391,   1.340,  -0.747)  ( -1.389,   1.342,  -0.747)  ( 0.11,  0.11,  0.03)
183:     angle   ( -1.015,   0.530,   2.839)  ( -1.015,   0.530,   2.840)  ( 0.02,  0.01,  0.02)
183:     strbnd  (  0.553,  -0.368,   1.021)  (  0.553,  -0.368,   1.021)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.250,  -0.232,   0.047)  ( -0.250,  -0.232,   0.047)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.074,  -1.282,  -3.176)  (  2.074,  -1.282,  -3.176)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 28       ( -0.034,  -0.055,  -0.010)  ( -0.032,  -0.053,  -0.008)  ( 0.01,  0.01,  0.00)
183:     bond    (  1.317,   0.998,   0.899)  (  1.318,   0.999,   0.900)  ( 0.13,  0.10,  0.07)
183:     angle   ( -2.910,   1.945,   2.102)  ( -2.910,   1.946,   2.102)  ( 0.01,  0.02,  0.02)
183:     strbnd  ( -0.799,   0.069,   0.229)  ( -0.799,   0.069,   0.229)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.012,   0.069,  -0.059)  ( -0.012,   0.069,  -0.059)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.371,  -3.136,  -3.182)  (  2.371,  -3.135,  -3.182)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 29       ( -0.014,  -0.055,  -0.036)  ( -0.012,  -0.054,  -0.034)  ( 0.00,  0.01,  0.01)
183:     bond    ( -1.198,  -1.403,   1.700)  ( -1.197,  -1.402,   1.701)  ( 0.06,  0.08,  0.09)
183:     angle   ( -1.824,   2.897,   1.105)  ( -1.823,   2.897,   1.105)  ( 0.02,  0.01,  0.02)
183:     strbnd  (  0.202,   1.021,  -0.133)  (  0.202,   1.021,  -0.133)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.274,  -0.031,   0.167)  (  0.274,  -0.031,   0.167)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.531,  -2.539,  -2.875)  (  2.532,  -2.539,  -2.875)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 30       (  7.205,   2.240,   7.247)  (  7.205,   2.245,   7.247)  ( 0.01,  0.22,  0.01)
183:     bond    ( -0.177,   0.738,  -0.096)  ( -0.177,   0.743,  -0.096)  ( 0.01,  0.36,  0.00)
183:     angle   (  8.417,   3.317,  10.163)  (  8.417,   3.317,  10.163)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  0.382,  -1.272,   0.256)  (  0.382,  -1.272,   0.256)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.882,   0.111,  -0.766)  (  0.882,   0.111,  -0.766)  ( 0.01,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.106,   0.075,   0.091)  (  0.106,   0.075,   0.091)  ( 0.00,  0.00,  0.00)
183:     electro ( -2.405,  -0.728,  -2.400)  ( -2.405,  -0.728,  -2.400)  ( 0.00,  0.00,  0.00)
183: 31       (-10.418,   1.586,  -7.406)  ( -9.943,   1.689,  -7.787)  ( 4.56,  6.45,  5.14)
183:     bond    ( -0.691,  -2.922,  -1.578)  ( -0.691,  -2.915,  -1.576)  ( 0.03,  0.24,  0.13)
183:     angle   (-11.279,   8.740, -11.218)  (-11.279,   8.740, -11.218)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( -0.400,   0.562,  -0.346)  ( -0.400,   0.562,  -0.346)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.438,  -0.113,   0.402)  ( -0.438,  -0.113,   0.402)  ( 0.00,  0.00,  0.00)
183:     oop     ( -2.089,  -0.433,   1.715)  ( -1.615,  -0.338,   1.332)  (22.71,  4.11, 22.34)
183:     vdw     (  1.193,  -3.724,   0.966)  (  1.193,  -3.724,   0.966)  ( 0.00,  0.00,  0.00)
183:     electro (  3.286,  -0.524,   2.653)  (  3.286,  -0.524,   2.653)  ( 0.00,  0.00,  0.00)
183: ok 32 # gradients 
183: ok 33 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/phenyl-pyr.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       (  0.511,  -0.096,  -0.005)  (  0.520,  -0.092,   0.001)  ( 0.45,  0.03,  0.00)
183:     bond    (  9.838,  -1.834,   0.007)  (  9.844,  -1.832,   0.011)  ( 0.07,  0.10,  0.00)
183:     angle   (  6.646,  -1.255,  -0.018)  (  6.648,  -1.254,  -0.017)  ( 0.03,  0.05,  0.00)
183:     strbnd  ( -3.095,   0.579,   0.001)  ( -3.095,   0.579,   0.001)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,   0.001,  -0.002)  (  0.001,   0.002,  -0.002)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (-12.705,   2.379,   0.009)  (-12.705,   2.379,   0.009)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.173,   0.032,   0.000)  ( -0.173,   0.032,   0.000)  ( 0.00,  0.00,  0.00)
183:  2       ( -0.075,   0.318,   0.474)  ( -0.066,   0.334,   0.472)  ( 0.07,  0.52,  0.08)
183:     bond    ( 15.243,  -7.110,  -6.312)  ( 15.248,  -7.108,  -6.308)  ( 0.04,  0.03,  0.07)
183:     angle   ( -4.881,  -0.262,  -1.754)  ( -4.879,  -0.261,  -1.753)  ( 0.04,  0.02,  0.09)
183:     strbnd  ( -1.609,   1.725,   2.154)  ( -1.609,   1.725,   2.154)  ( 0.01,  0.00,  0.01)
183:     torsion (  0.015,   0.078,  -0.054)  (  0.015,   0.079,  -0.054)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.015,  -0.078,   0.052)  ( -0.012,  -0.066,   0.044)  ( 0.00,  0.10,  0.04)
183:     vdw     ( -8.822,   6.095,   6.582)  ( -8.822,   6.095,   6.582)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.006,  -0.130,  -0.194)  ( -0.006,  -0.130,  -0.194)  ( 0.00,  0.00,  0.00)
183:  3       ( -0.080,   0.261,   0.300)  ( -0.079,   0.234,   0.325)  ( 0.01,  0.70,  0.76)
183:     bond    (  0.609,  -8.879, -13.408)  (  0.614,  -8.877, -13.405)  ( 0.30,  0.02,  0.03)
183:     angle   ( -7.772,   3.135,   2.969)  ( -7.770,   3.136,   2.970)  ( 0.02,  0.03,  0.05)
183:     strbnd  (  2.453,  -0.620,  -0.234)  (  2.453,  -0.620,  -0.235)  ( 0.01,  0.01,  0.01)
183:     torsion ( -0.243,   0.162,   0.098)  ( -0.243,   0.163,   0.098)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.034,   0.181,  -0.121)  (  0.028,   0.151,  -0.101)  ( 0.02,  0.55,  0.25)
183:     vdw     (  4.751,   6.373,  11.116)  (  4.751,   6.373,  11.116)  ( 0.00,  0.00,  0.00)
183:     electro (  0.088,  -0.091,  -0.119)  (  0.088,  -0.091,  -0.119)  ( 0.00,  0.00,  0.00)
183:  4       ( -0.195,   0.032,   0.015)  ( -0.188,   0.037,   0.020)  ( 0.13,  0.02,  0.01)
183:     bond    ( -7.919,   1.496,   0.029)  ( -7.915,   1.498,   0.032)  ( 0.06,  0.11,  0.01)
183:     angle   (  7.321,  -1.377,  -0.013)  (  7.323,  -1.376,  -0.012)  ( 0.03,  0.07,  0.00)
183:     strbnd  ( -7.154,   1.339,   0.000)  ( -7.155,   1.339,   0.000)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.002,  -0.005,   0.001)  ( -0.002,  -0.004,   0.002)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.001,  -0.007,   0.004)  ( -0.001,  -0.005,   0.003)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.561,  -1.415,  -0.006)  (  7.562,  -1.415,  -0.006)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  5       ( -0.246,  -0.217,  -0.384)  ( -0.235,  -0.186,  -0.397)  ( 0.29,  0.67,  0.50)
183:     bond    (  3.740,   8.034,  13.340)  (  3.745,   8.036,  13.343)  ( 0.13,  0.02,  0.03)
183:     angle   ( -8.410,  -0.116,  -2.962)  ( -8.408,  -0.115,  -2.960)  ( 0.02,  0.01,  0.05)
183:     strbnd  (  2.516,  -0.308,   0.233)  (  2.515,  -0.309,   0.233)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.284,  -0.056,  -0.104)  ( -0.284,  -0.055,  -0.103)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.031,  -0.165,   0.109)  ( -0.025,  -0.137,   0.091)  ( 0.02,  0.46,  0.20)
183:     vdw     (  2.108,  -7.659, -11.120)  (  2.108,  -7.659, -11.120)  ( 0.00,  0.00,  0.00)
183:     electro (  0.115,   0.053,   0.119)  (  0.115,   0.053,   0.119)  ( 0.00,  0.00,  0.00)
183:  6       ( -0.141,  -0.330,  -0.527)  ( -0.136,  -0.337,  -0.513)  ( 0.08,  0.25,  0.74)
183:     bond    ( 16.822,   1.066,   6.232)  ( 16.827,   1.068,   6.236)  ( 0.03,  0.19,  0.07)
183:     angle   ( -4.438,   2.007,   1.762)  ( -4.436,   2.007,   1.763)  ( 0.05,  0.03,  0.09)
183:     strbnd  ( -2.127,  -1.024,  -2.150)  ( -2.127,  -1.024,  -2.150)  ( 0.01,  0.00,  0.01)
183:     torsion ( -0.016,  -0.084,   0.056)  ( -0.016,  -0.083,   0.056)  ( 0.00,  0.01,  0.00)
183:     oop     (  0.013,   0.071,  -0.048)  (  0.011,   0.060,  -0.040)  ( 0.00,  0.08,  0.04)
183:     vdw     (-10.436,  -2.488,  -6.572)  (-10.436,  -2.488,  -6.572)  ( 0.00,  0.00,  0.00)
183:     electro (  0.041,   0.123,   0.194)  (  0.041,   0.123,   0.194)  ( 0.00,  0.00,  0.00)
183:  7       (  0.083,   0.029,  -0.027)  (  0.090,   0.034,  -0.024)  ( 0.06,  0.02,  0.01)
183:     bond    ( -5.715,   1.120,  -0.030)  ( -5.710,   1.124,  -0.028)  ( 0.08,  0.35,  0.00)
183:     angle   ( -3.925,   0.733,   0.006)  ( -3.923,   0.734,   0.007)  ( 0.05,  0.10,  0.00)
183:     strbnd  ( 10.212,  -1.917,  -0.002)  ( 10.212,  -1.917,  -0.002)  ( 0.00,  0.01,  0.00)
183:     torsion ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.489,   0.094,  -0.002)  ( -0.488,   0.094,  -0.002)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:  8       ( -0.108,   1.157,  -0.705)  ( -0.101,   1.163,  -0.702)  ( 0.08,  0.53,  0.24)
183:     bond    ( -3.483, -12.638,   7.907)  ( -3.478, -12.633,   7.908)  ( 0.16,  0.03,  0.02)
183:     angle   (  3.798,   0.832,  -0.921)  (  3.800,   0.834,  -0.921)  ( 0.04,  0.11,  0.04)
183:     strbnd  (  1.060,  -1.300,   0.656)  (  1.060,  -1.300,   0.656)  ( 0.02,  0.01,  0.00)
183:     torsion (  0.019,   0.099,   0.166)  (  0.019,   0.099,   0.167)  ( 0.00,  0.00,  0.02)
183:     oop     ( -0.000,  -0.001,  -0.002)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.505,  14.542,  -8.739)  ( -1.505,  14.542,  -8.739)  ( 0.01,  0.00,  0.00)
183:     electro (  0.004,  -0.378,   0.228)  (  0.004,  -0.378,   0.228)  ( 0.00,  0.00,  0.00)
183:  9       (  0.009,  -0.348,   0.187)  (  0.016,  -0.342,   0.191)  ( 0.01,  0.21,  0.07)
183:     bond    ( -2.492,  -7.482,   4.725)  ( -2.486,  -7.478,   4.727)  ( 0.23,  0.05,  0.03)
183:     angle   ( -4.105,  -3.933,   2.798)  ( -4.103,  -3.931,   2.798)  ( 0.04,  0.03,  0.02)
183:     strbnd  ( -4.222,   0.031,   0.453)  ( -4.222,   0.031,   0.453)  ( 0.01,  0.00,  0.00)
183:     torsion ( -0.000,  -0.003,  -0.005)  ( -0.000,  -0.003,  -0.004)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.835,  10.954,  -7.728)  ( 10.835,  10.954,  -7.728)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.006,   0.087,  -0.052)  ( -0.006,   0.087,  -0.052)  ( 0.00,  0.00,  0.00)
183: 10       (  2.631,  -0.498,   0.003)  (  2.635,  -0.493,   0.006)  ( 0.16,  0.24,  0.00)
183:     bond    (-13.181,   2.472,   0.003)  (-13.178,   2.476,   0.004)  ( 0.02,  0.16,  0.00)
183:     angle   (  8.282,  -1.555,  -0.003)  (  8.284,  -1.555,  -0.003)  ( 0.02,  0.02,  0.00)
183:     strbnd  (  0.147,  -0.037,   0.005)  (  0.147,  -0.037,   0.006)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  8.264,  -1.546,  -0.006)  (  8.265,  -1.546,  -0.006)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.883,   0.165,   0.001)  ( -0.883,   0.165,   0.001)  ( 0.00,  0.00,  0.00)
183: 11       (  0.028,   0.306,  -0.205)  (  0.035,   0.312,  -0.201)  ( 0.02,  0.19,  0.08)
183:     bond    (  0.276,   7.851,  -4.706)  (  0.282,   7.855,  -4.705)  ( 0.16,  0.05,  0.03)
183:     angle   ( -2.425,   5.161,  -2.800)  ( -2.424,   5.163,  -2.800)  ( 0.07,  0.03,  0.02)
183:     strbnd  ( -3.937,   1.510,  -0.456)  ( -3.938,   1.510,  -0.456)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.006)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.002,  -0.003)  ( -0.000,  -0.001,  -0.002)  ( 0.00,  0.00,  0.00)
183:     vdw     (  6.153, -14.132,   7.716)  (  6.153, -14.132,   7.716)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.037,  -0.079,   0.052)  ( -0.037,  -0.079,   0.052)  ( 0.00,  0.00,  0.00)
183: 12       ( -0.373,  -1.134,   0.744)  ( -0.366,  -1.129,   0.747)  ( 0.27,  0.47,  0.19)
183:     bond    (  1.440,  12.965,  -7.881)  (  1.446,  12.969,  -7.880)  ( 0.38,  0.03,  0.02)
183:     angle   (  3.262,  -2.172,   0.925)  (  3.264,  -2.171,   0.925)  ( 0.05,  0.06,  0.04)
183:     strbnd  (  1.447,   0.834,  -0.660)  (  1.447,   0.834,  -0.660)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.018,  -0.096,  -0.161)  ( -0.018,  -0.095,  -0.160)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.000,   0.002,   0.003)  (  0.000,   0.002,   0.003)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -6.645, -13.018,   8.747)  ( -6.645, -13.018,   8.747)  ( 0.00,  0.00,  0.00)
183:     electro (  0.140,   0.351,  -0.228)  (  0.140,   0.351,  -0.228)  ( 0.00,  0.00,  0.00)
183: 13       ( -0.263,  -0.228,   0.157)  ( -0.261,  -0.226,   0.159)  ( 0.05,  0.05,  0.02)
183:     bond    (  0.532,   0.585,  -0.410)  (  0.533,   0.587,  -0.409)  ( 0.07,  0.10,  0.03)
183:     angle   ( -1.375,   0.959,  -0.417)  ( -1.375,   0.959,  -0.417)  ( 0.03,  0.02,  0.00)
183:     strbnd  ( -0.291,   0.302,  -0.147)  ( -0.291,   0.302,  -0.147)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.002,  -0.013,  -0.021)  ( -0.002,  -0.012,  -0.021)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.001,  -0.001)  ( -0.000,  -0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.782,  -2.146,   1.210)  (  0.782,  -2.146,   1.210)  ( 0.00,  0.00,  0.00)
183:     electro (  0.092,   0.086,  -0.056)  (  0.092,   0.086,  -0.056)  ( 0.00,  0.00,  0.00)
183: 14       ( -0.602,   0.636,  -0.300)  ( -0.601,   0.639,  -0.299)  ( 0.08,  0.16,  0.03)
183:     bond    ( -0.713,   1.410,  -0.761)  ( -0.713,   1.412,  -0.760)  ( 0.04,  0.17,  0.05)
183:     angle   ( -1.054,  -0.355,   0.329)  ( -1.053,  -0.355,   0.329)  ( 0.06,  0.00,  0.00)
183:     strbnd  (  0.385,   0.200,  -0.162)  (  0.385,   0.200,  -0.162)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.001,   0.005,   0.009)  (  0.001,   0.006,   0.009)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.575,  -0.404,   0.175)  (  0.575,  -0.404,   0.175)  ( 0.00,  0.00,  0.00)
183:     electro (  0.205,  -0.220,   0.109)  (  0.205,  -0.220,   0.109)  ( 0.00,  0.00,  0.00)
183: 15       (  0.332,  -0.118,  -0.060)  (  0.339,  -0.102,  -0.061)  ( 0.25,  0.18,  0.01)
183:     bond    ( -7.125,  -4.896,  -9.263)  ( -7.121,  -4.892,  -9.259)  ( 0.06,  0.09,  0.05)
183:     angle   (  6.393,   2.270,   5.666)  (  6.394,   2.272,   5.667)  ( 0.03,  0.07,  0.03)
183:     strbnd  (  0.273,  -0.725,  -1.181)  (  0.272,  -0.726,  -1.182)  ( 0.02,  0.04,  0.08)
183:     torsion (  1.289,  -0.354,  -0.774)  (  1.289,  -0.353,  -0.774)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.010,  -0.056,   0.038)  ( -0.009,  -0.047,   0.031)  ( 0.00,  0.05,  0.02)
183:     vdw     ( -0.361,   3.610,   5.432)  ( -0.361,   3.610,   5.432)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.126,   0.033,   0.024)  ( -0.126,   0.033,   0.024)  ( 0.00,  0.00,  0.00)
183: 16       (  1.094,  -0.202,   0.008)  (  1.098,  -0.201,   0.009)  ( 0.42,  0.01,  0.00)
183:     bond    ( -1.105,   0.206,   0.001)  ( -1.100,   0.206,   0.001)  ( 0.41,  0.00,  0.00)
183:     angle   (  0.001,   0.005,   0.007)  (  0.001,   0.005,   0.007)  ( 0.00,  0.00,  0.00)
183:     strbnd  (  3.048,  -0.570,  -0.001)  (  3.048,  -0.570,  -0.001)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.000,  -0.001,   0.001)  ( -0.000,  -0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.001,   0.000)  ( -0.000,  -0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.498,   0.093,   0.000)  ( -0.498,   0.093,   0.001)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.353,   0.066,   0.000)  ( -0.353,   0.066,   0.000)  ( 0.00,  0.00,  0.00)
183: 17       ( -1.177,  -0.211,  -0.630)  ( -1.176,  -0.211,  -0.627)  ( 0.12,  0.01,  0.21)
183:     bond    ( -0.132,   0.174,   0.223)  ( -0.131,   0.175,   0.225)  ( 0.01,  0.03,  0.05)
183:     angle   (  1.479,   0.192,   0.711)  (  1.480,   0.192,   0.711)  ( 0.05,  0.00,  0.01)
183:     strbnd  (  1.315,  -1.062,  -1.217)  (  1.315,  -1.062,  -1.217)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.011,  -0.057,   0.038)  ( -0.011,  -0.057,   0.038)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,   0.006,  -0.004)  (  0.001,   0.005,  -0.003)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.211,   0.450,  -0.614)  ( -4.210,   0.450,  -0.614)  ( 0.00,  0.00,  0.00)
183:     electro (  0.380,   0.086,   0.234)  (  0.380,   0.086,   0.234)  ( 0.00,  0.00,  0.00)
183: 18       (  0.347,  -0.021,   0.119)  (  0.351,  -0.024,   0.130)  ( 0.15,  0.01,  0.13)
183:     bond    ( -4.885,   7.159,   9.319)  ( -4.880,   7.163,   9.323)  ( 0.09,  0.06,  0.05)
183:     angle   (  5.152,  -4.463,  -5.651)  (  5.154,  -4.462,  -5.649)  ( 0.04,  0.03,  0.03)
183:     strbnd  (  0.516,   0.583,   1.171)  (  0.515,   0.582,   1.170)  ( 0.03,  0.04,  0.08)
183:     torsion (  1.334,  -0.130,   0.768)  (  1.334,  -0.130,   0.768)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.010,   0.051,  -0.034)  (  0.008,   0.042,  -0.028)  ( 0.00,  0.04,  0.02)
183:     vdw     ( -1.650,  -3.234,  -5.431)  ( -1.650,  -3.234,  -5.431)  ( 0.01,  0.00,  0.00)
183:     electro ( -0.129,   0.014,  -0.024)  ( -0.129,   0.014,  -0.024)  ( 0.00,  0.00,  0.00)
183: 19       ( -0.995,   0.639,   0.659)  ( -0.993,   0.641,   0.661)  ( 0.24,  0.13,  0.13)
183:     bond    ( -0.161,  -0.100,  -0.195)  ( -0.159,  -0.099,  -0.193)  ( 0.03,  0.01,  0.05)
183:     angle   (  1.304,  -0.712,  -0.711)  (  1.305,  -0.712,  -0.711)  ( 0.04,  0.01,  0.01)
183:     strbnd  (  1.615,   0.513,   1.214)  (  1.615,   0.513,   1.214)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.011,   0.057,  -0.038)  (  0.011,   0.058,  -0.038)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.001,  -0.006,   0.004)  ( -0.001,  -0.005,   0.004)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.086,   1.106,   0.619)  ( -4.086,   1.106,   0.619)  ( 0.00,  0.00,  0.00)
183:     electro (  0.323,  -0.218,  -0.234)  (  0.323,  -0.218,  -0.234)  ( 0.00,  0.00,  0.00)
183: 20       ( -0.147,   0.296,  -0.160)  ( -0.146,   0.299,  -0.159)  ( 0.02,  0.08,  0.01)
183:     bond    (  0.288,  -0.750,   0.412)  (  0.289,  -0.747,   0.413)  ( 0.01,  0.20,  0.03)
183:     angle   ( -1.609,  -0.393,   0.414)  ( -1.608,  -0.393,   0.414)  ( 0.04,  0.00,  0.00)
183:     strbnd  ( -0.388,  -0.178,   0.149)  ( -0.388,  -0.178,   0.149)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.002,   0.011,   0.019)  (  0.002,   0.011,   0.019)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.503,   1.719,  -1.212)  (  1.503,   1.719,  -1.212)  ( 0.00,  0.00,  0.00)
183:     electro (  0.055,  -0.113,   0.056)  (  0.055,  -0.113,   0.056)  ( 0.00,  0.00,  0.00)
183: 21       ( -0.773,  -0.355,   0.288)  ( -0.771,  -0.353,   0.289)  ( 0.16,  0.06,  0.02)
183:     bond    ( -1.156,  -1.042,   0.748)  ( -1.154,  -1.041,   0.749)  ( 0.15,  0.13,  0.05)
183:     angle   ( -0.862,   0.717,  -0.330)  ( -0.861,   0.717,  -0.330)  ( 0.04,  0.02,  0.00)
183:     strbnd  (  0.292,  -0.327,   0.162)  (  0.292,  -0.327,   0.162)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.001,  -0.004,  -0.007)  ( -0.001,  -0.004,  -0.007)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,   0.001,   0.001)  (  0.000,   0.001,   0.001)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.682,   0.169,  -0.176)  (  0.682,   0.169,  -0.176)  ( 0.00,  0.00,  0.00)
183:     electro (  0.271,   0.131,  -0.109)  (  0.271,   0.131,  -0.109)  ( 0.00,  0.00,  0.00)
183: 22       ( -0.002,  -0.011,   0.010)  ( -0.001,  -0.009,   0.011)  ( 0.00,  0.00,  0.00)
183:     bond    ( -0.526,   0.784,  -0.542)  ( -0.525,   0.786,  -0.541)  ( 0.04,  0.14,  0.05)
183:     angle   (  1.195,  -1.233,  -2.949)  (  1.195,  -1.233,  -2.949)  ( 0.03,  0.02,  0.01)
183:     strbnd  ( -0.255,  -0.588,  -0.393)  ( -0.255,  -0.588,  -0.393)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.565,  -0.064,   0.455)  ( -0.565,  -0.064,   0.455)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.149,   1.091,   3.440)  (  0.149,   1.091,   3.440)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 23       ( -0.002,  -0.011,   0.000)  ( -0.001,  -0.010,   0.001)  ( 0.00,  0.00,  0.00)
183:     bond    ( -0.710,  -0.703,   0.394)  ( -0.709,  -0.701,   0.395)  ( 0.11,  0.10,  0.02)
183:     angle   (  0.978,  -1.990,  -1.779)  (  0.979,  -1.990,  -1.778)  ( 0.03,  0.01,  0.03)
183:     strbnd  ( -0.228,  -0.099,  -0.703)  ( -0.228,  -0.099,  -0.703)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.442,   0.487,   0.072)  ( -0.442,   0.487,   0.072)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.399,   2.293,   2.016)  (  0.399,   2.293,   2.016)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 24       (  0.016,   0.004,  -0.000)  (  0.017,   0.005,   0.001)  ( 0.00,  0.00,  0.00)
183:     bond    (  0.712,  -0.619,  -0.845)  (  0.713,  -0.618,  -0.844)  ( 0.08,  0.05,  0.13)
183:     angle   ( -4.410,  -0.925,  -3.048)  ( -4.410,  -0.925,  -3.048)  ( 0.01,  0.03,  0.01)
183:     strbnd  ( -0.899,   0.082,  -0.052)  ( -0.899,   0.082,  -0.052)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.011,  -0.086,   0.054)  ( -0.011,  -0.086,   0.054)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.624,   1.552,   3.891)  (  4.624,   1.552,   3.891)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 25       (  0.015,   0.029,  -0.030)  (  0.017,   0.030,  -0.029)  ( 0.00,  0.00,  0.00)
183:     bond    ( -0.752,  -0.529,   0.528)  ( -0.750,  -0.529,   0.529)  ( 0.13,  0.05,  0.04)
183:     angle   (  1.555,   0.717,   2.924)  (  1.555,   0.718,   2.924)  ( 0.02,  0.03,  0.01)
183:     strbnd  ( -0.027,   0.641,   0.396)  ( -0.027,   0.641,   0.396)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.505,   0.263,  -0.453)  ( -0.505,   0.263,  -0.453)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.257,  -1.063,  -3.425)  ( -0.257,  -1.063,  -3.425)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 26       ( -0.016,  -0.001,  -0.020)  ( -0.014,  -0.000,  -0.018)  ( 0.00,  0.00,  0.00)
183:     bond    (  0.867,   0.313,   0.819)  (  0.869,   0.313,   0.821)  ( 0.15,  0.01,  0.12)
183:     angle   ( -3.775,   2.481,   3.047)  ( -3.775,   2.482,   3.047)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -0.869,   0.249,   0.057)  ( -0.869,   0.249,   0.057)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.019,   0.079,  -0.051)  (  0.019,   0.079,  -0.051)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.742,  -3.123,  -3.893)  (  3.742,  -3.123,  -3.893)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 27       (  0.012,  -0.017,   0.007)  (  0.013,  -0.015,   0.008)  ( 0.00,  0.00,  0.00)
183:     bond    ( -0.401,   0.886,  -0.386)  ( -0.401,   0.889,  -0.385)  ( 0.02,  0.22,  0.02)
183:     angle   (  1.642,   1.513,   1.782)  (  1.642,   1.513,   1.783)  ( 0.02,  0.01,  0.03)
183:     strbnd  ( -0.174,   0.171,   0.708)  ( -0.174,   0.170,   0.708)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.590,  -0.296,  -0.070)  ( -0.590,  -0.296,  -0.070)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.465,  -2.291,  -2.028)  ( -0.465,  -2.291,  -2.028)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 34 # gradients 
183: ok 35 # energy 
183: ----------------------------------------------------------------------------------------
183:                                                                                         
183:   VALIDATE GRADIENTS : /Volumes/Home/ghutchis/Desktop/UFF/viagra.gpr
183:                                                                                         
183:                                                                                         
183: ATOM IDX      NUMERICAL GRADIENT           ANALYTICAL GRADIENT        REL. ERROR (%)   
183: ----------------------------------------------------------------------------------------
183:  1       ( 31.424,  -0.200,  18.228)  ( 31.429,  -0.198,  18.233)  ( 0.02,  0.05,  0.03)
183:     bond    ( 17.093,   4.746,  20.403)  ( 17.097,   4.747,  20.407)  ( 0.02,  0.02,  0.02)
183:     angle   ( 10.823,  -6.670,  -7.661)  ( 10.824,  -6.668,  -7.659)  ( 0.02,  0.03,  0.02)
183:     strbnd  ( -1.302,  -1.496,  -3.384)  ( -1.303,  -1.496,  -3.384)  ( 0.04,  0.04,  0.02)
183:     torsion ( -0.752,  -0.481,  -0.404)  ( -0.752,  -0.481,  -0.404)  ( 0.01,  0.01,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.697,   3.940,   6.118)  (  2.697,   3.940,   6.118)  ( 0.00,  0.00,  0.00)
183:     electro (  2.864,  -0.239,   3.155)  (  2.864,  -0.239,   3.155)  ( 0.00,  0.00,  0.00)
183:  2       (-36.010,   4.515,  17.051)  (-36.005,   4.520,  17.057)  ( 0.01,  0.12,  0.03)
183:     bond    (-27.113,  -0.560,   3.022)  (-27.109,  -0.556,   3.026)  ( 0.02,  0.22,  0.12)
183:     angle   (-10.986,   1.327,   1.389)  (-10.984,   1.329,   1.391)  ( 0.02,  0.14,  0.17)
183:     strbnd  (  6.026,   1.292,   2.785)  (  6.025,   1.291,   2.784)  ( 0.02,  0.04,  0.03)
183:     torsion (  0.387,   2.102,   1.063)  (  0.387,   2.103,   1.063)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.974,  -1.076,   6.259)  ( -5.974,  -1.076,   6.260)  ( 0.00,  0.00,  0.00)
183:     electro (  1.650,   1.429,   2.533)  (  1.650,   1.429,   2.533)  ( 0.00,  0.00,  0.00)
183:  3       (-11.045, -13.207,  11.272)  (-11.039, -13.201,  11.277)  ( 0.05,  0.04,  0.05)
183:     bond    ( -2.739,  -3.315,  12.969)  ( -2.735,  -3.311,  12.974)  ( 0.14,  0.12,  0.03)
183:     angle   (  0.437, -11.359,  -0.705)  (  0.439, -11.357,  -0.703)  ( 0.09,  0.02,  0.14)
183:     strbnd  (  1.387,   2.155,  -8.533)  (  1.387,   2.154,  -8.535)  ( 0.02,  0.03,  0.02)
183:     torsion ( -2.416,   1.078,   0.854)  ( -2.416,   1.078,   0.855)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -6.807,  -1.527,   6.510)  ( -6.807,  -1.527,   6.510)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.907,  -0.238,   0.176)  ( -0.907,  -0.238,   0.176)  ( 0.00,  0.00,  0.00)
183:  4       ( -4.273,   7.522,  -3.211)  ( -4.268,   7.525,  -3.205)  ( 0.13,  0.04,  0.18)
183:     bond    (  0.949,  -2.282,   0.268)  (  0.953,  -2.280,   0.273)  ( 0.43,  0.06,  0.13)
183:     angle   (  0.591,  21.684,   6.844)  (  0.593,  21.686,   6.845)  ( 0.09,  0.01,  0.02)
183:     strbnd  (  1.406,  -5.851,  -0.013)  (  1.406,  -5.852,  -0.014)  ( 0.04,  0.01,  0.00)
183:     torsion (  0.184,  -1.989,  -0.339)  (  0.185,  -1.989,  -0.339)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -5.463,  -3.294,  -7.182)  ( -5.463,  -3.294,  -7.182)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.941,  -0.746,  -2.788)  ( -1.941,  -0.746,  -2.788)  ( 0.00,  0.00,  0.00)
183:  5       ( 15.539,  -6.936, -11.710)  ( 15.544,  -6.931, -11.704)  ( 0.03,  0.08,  0.05)
183:     bond    ( 13.334,   0.629,  -1.309)  ( 13.339,   0.633,  -1.305)  ( 0.04,  0.25,  0.29)
183:     angle   (  2.816, -10.985,  -2.204)  (  2.818, -10.983,  -2.202)  ( 0.07,  0.02,  0.10)
183:     strbnd  ( -8.882,  -0.451,   0.327)  ( -8.883,  -0.452,   0.326)  ( 0.02,  0.02,  0.01)
183:     torsion (  0.798,   1.843,  -1.911)  (  0.798,   1.843,  -1.911)  ( 0.00,  0.01,  0.01)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.392,   1.990,  -5.711)  (  7.392,   1.990,  -5.711)  ( 0.00,  0.00,  0.00)
183:     electro (  0.082,   0.038,  -0.901)  (  0.082,   0.038,  -0.901)  ( 0.00,  0.00,  0.00)
183:  6       ( 19.460,  15.761, -31.866)  ( 19.465,  15.766, -31.861)  ( 0.03,  0.03,  0.02)
183:     bond    (  5.775,   7.666, -25.091)  (  5.778,   7.670, -25.086)  ( 0.07,  0.05,  0.02)
183:     angle   (  1.263,   4.370, -10.670)  (  1.265,   4.372, -10.668)  ( 0.18,  0.05,  0.02)
183:     strbnd  (  1.829,   0.313,   6.376)  (  1.828,   0.312,   6.375)  ( 0.03,  0.02,  0.02)
183:     torsion (  2.320,   0.305,   0.903)  (  2.321,   0.305,   0.903)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  7.013,   1.540,  -5.601)  (  7.013,   1.540,  -5.601)  ( 0.00,  0.00,  0.00)
183:     electro (  1.260,   1.567,   2.216)  (  1.260,   1.567,   2.216)  ( 0.00,  0.00,  0.00)
183:  7       ( -5.272,  -8.082,  -8.394)  ( -5.266,  -8.076,  -8.389)  ( 0.11,  0.07,  0.07)
183:     bond    ( -5.766,  -6.148,  -8.390)  ( -5.762,  -6.144,  -8.385)  ( 0.07,  0.07,  0.05)
183:     angle   ( -0.655,  -5.211,  -2.282)  ( -0.653,  -5.209,  -2.280)  ( 0.12,  0.03,  0.08)
183:     strbnd  (  5.025,   4.822,   7.145)  (  5.024,   4.821,   7.144)  ( 0.01,  0.02,  0.01)
183:     torsion (  0.524,  -0.894,   0.352)  (  0.524,  -0.894,   0.352)  ( 0.00,  0.01,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -4.384,  -0.621,  -5.255)  ( -4.383,  -0.621,  -5.255)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.016,  -0.029,   0.035)  ( -0.016,  -0.029,   0.035)  ( 0.00,  0.00,  0.00)
183:  8       (  1.728,  10.474,  24.887)  (  1.734,  10.474,  24.938)  ( 0.32,  0.00,  0.20)
183:     bond    ( 11.385, -12.341, -10.198)  ( 11.388, -12.332, -10.191)  ( 0.03,  0.07,  0.07)
183:     angle   (-32.172,  28.633,  36.543)  (-32.169,  28.635,  36.546)  ( 0.01,  0.01,  0.01)
183:     strbnd  ( 23.556,  -6.610,  -5.451)  ( 23.555,  -6.611,  -5.452)  ( 0.00,  0.02,  0.02)
183:     torsion (  0.338,  -1.851,   0.344)  (  0.338,  -1.851,   0.344)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.005,   0.056,  -0.231)  ( -0.004,   0.046,  -0.190)  ( 0.00,  0.06,  0.96)
183:     vdw     (  1.478,   1.254,   4.534)  (  1.478,   1.254,   4.535)  ( 0.01,  0.00,  0.00)
183:     electro ( -2.852,   1.333,  -0.654)  ( -2.852,   1.333,  -0.654)  ( 0.00,  0.00,  0.00)
183:  9       (  8.282, -17.496,  -4.338)  (  8.284, -17.494,  -4.331)  ( 0.02,  0.01,  0.14)
183:     bond    (  1.485,   1.600,  -4.386)  (  1.486,   1.600,  -4.380)  ( 0.05,  0.05,  0.14)
183:     angle   (  5.763, -17.078,  -4.285)  (  5.764, -17.078,  -4.285)  ( 0.01,  0.00,  0.00)
183:     strbnd  ( -0.447,  -2.536,   3.420)  ( -0.447,  -2.536,   3.420)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.480,   0.079,   0.191)  (  0.480,   0.079,   0.191)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.856,   0.959,   2.952)  (  1.856,   0.959,   2.952)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.854,  -0.519,  -2.230)  ( -0.854,  -0.519,  -2.230)  ( 0.00,  0.00,  0.00)
183: 10       ( 12.548,   0.140, -14.985)  ( 12.549,   0.147, -14.984)  ( 0.01,  0.10,  0.01)
183:     bond    (  0.309,  -3.128,   0.485)  (  0.309,  -3.121,   0.485)  ( 0.00,  0.24,  0.01)
183:     angle   ( 15.756,  -0.811, -15.260)  ( 15.757,  -0.811, -15.259)  ( 0.00,  0.00,  0.01)
183:     strbnd  (  0.664,   2.939,  -1.490)  (  0.664,   2.939,  -1.490)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.106,  -0.157,  -0.307)  ( -1.106,  -0.157,  -0.307)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.387,   3.365,   2.847)  ( -2.387,   3.365,   2.847)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.689,  -2.068,  -1.261)  ( -0.689,  -2.068,  -1.261)  ( 0.00,  0.00,  0.00)
183: 11       (-10.575,  -8.846,  -5.661)  (-10.571,  -8.813,  -5.772)  ( 0.03,  0.38,  1.96)
183:     bond    ( -6.709,   1.922,   1.059)  ( -6.705,   1.927,   1.060)  ( 0.06,  0.26,  0.04)
183:     angle   ( 24.355, -15.184, -15.338)  ( 24.357, -15.182, -15.338)  ( 0.01,  0.01,  0.00)
183:     strbnd  (-18.936,   1.986,   0.297)  (-18.936,   1.986,   0.297)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.305,  -0.296,   4.647)  (  0.305,  -0.296,   4.648)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.009,  -0.160,   0.679)  (  0.007,  -0.133,   0.566)  ( 0.00,  0.43,  7.65)
183:     vdw     ( -9.578,   2.904,   3.010)  ( -9.577,   2.904,   3.010)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.021,  -0.018,  -0.016)  ( -0.021,  -0.018,  -0.016)  ( 0.00,  0.00,  0.00)
183: 12       (-24.157,   0.640,  -1.425)  (-24.149,   0.633,  -1.363)  ( 0.03,  0.45,  4.37)
183:     bond    (  1.922,   0.917,   0.032)  (  1.927,   0.922,   0.032)  ( 0.28,  0.47,  0.00)
183:     angle   ( -9.984,   2.922,   1.064)  ( -9.983,   2.923,   1.065)  ( 0.02,  0.05,  0.01)
183:     strbnd  (-10.267,   7.335,   1.838)  (-10.267,   7.335,   1.838)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.034,   0.453,  -2.054)  ( -0.034,   0.453,  -2.053)  ( 0.00,  0.00,  0.06)
183:     oop     ( -0.004,   0.086,  -0.378)  ( -0.003,   0.072,  -0.317)  ( 0.00,  0.12,  2.29)
183:     vdw     ( -6.756, -10.594,  -1.657)  ( -6.755, -10.594,  -1.657)  ( 0.00,  0.00,  0.00)
183:     electro (  0.966,  -0.478,  -0.270)  (  0.966,  -0.478,  -0.270)  ( 0.00,  0.00,  0.00)
183: 13       (  9.671, -18.090,  -9.125)  (  9.679, -18.096,  -9.073)  ( 0.08,  0.03,  0.57)
183:     bond    (  3.557,   7.206,   1.481)  (  3.562,   7.211,   1.482)  ( 0.15,  0.07,  0.03)
183:     angle   (  3.498, -21.802,  -5.738)  (  3.500, -21.801,  -5.738)  ( 0.04,  0.01,  0.00)
183:     strbnd  ( 11.124,   5.598,   1.224)  ( 11.124,   5.598,   1.224)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.010,   0.214,  -0.783)  ( -0.010,   0.214,  -0.782)  ( 0.00,  0.00,  0.10)
183:     oop     ( -0.007,   0.075,  -0.292)  ( -0.006,   0.062,  -0.242)  ( 0.00,  0.09,  1.46)
183:     vdw     ( -8.946,  -9.231,  -4.972)  ( -8.946,  -9.231,  -4.972)  ( 0.00,  0.00,  0.00)
183:     electro (  0.455,  -0.149,  -0.044)  (  0.455,  -0.149,  -0.044)  ( 0.00,  0.00,  0.00)
183: 14       (-13.663,  -2.396,   4.950)  (-13.657,  -2.371,   4.880)  ( 0.04,  1.04,  1.41)
183:     bond    (-26.978,  13.126,   4.300)  (-26.972,  13.131,   4.300)  ( 0.02,  0.03,  0.01)
183:     angle   (-18.118,  -9.493,   4.254)  (-18.116,  -9.491,   4.254)  ( 0.01,  0.02,  0.00)
183:     strbnd  ( 29.827,  -3.579,  -1.396)  ( 29.826,  -3.579,  -1.395)  ( 0.00,  0.00,  0.01)
183:     torsion ( -0.134,  -1.037,   2.744)  ( -0.134,  -1.037,   2.746)  ( 0.00,  0.01,  0.04)
183:     oop     (  0.011,  -0.106,   0.410)  (  0.009,  -0.087,   0.339)  ( 0.00,  0.20,  2.94)
183:     vdw     (  1.699,  -1.418,  -5.301)  (  1.699,  -1.418,  -5.301)  ( 0.01,  0.01,  0.00)
183:     electro (  0.030,   0.111,  -0.061)  (  0.030,   0.111,  -0.061)  ( 0.00,  0.00,  0.00)
183: 15       ( 13.797, -14.175,  -4.609)  ( 13.759, -14.176,  -4.431)  ( 0.28,  0.01,  3.87)
183:     bond    ( -5.136, -10.558,  -3.032)  ( -5.131, -10.553,  -3.032)  ( 0.09,  0.04,  0.02)
183:     angle   (  2.758, -11.175,   3.017)  (  2.760, -11.174,   3.017)  ( 0.07,  0.02,  0.00)
183:     strbnd  (  9.858,  -2.806,  -1.156)  (  9.859,  -2.806,  -1.156)  ( 0.00,  0.00,  0.01)
183:     torsion ( -0.006,   0.855,  -3.398)  ( -0.006,   0.855,  -3.397)  ( 0.00,  0.01,  0.04)
183:     oop     (  0.274,   0.043,  -1.066)  (  0.229,   0.036,  -0.889)  ( 1.23,  0.03, 16.55)
183:     vdw     (  6.480,   9.337,   1.077)  (  6.480,   9.337,   1.077)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.432,   0.129,  -0.052)  ( -0.432,   0.129,  -0.052)  ( 0.00,  0.00,  0.00)
183: 16       (-18.628,  20.328,   6.654)  (-18.621,  20.351,   6.601)  ( 0.04,  0.11,  0.80)
183:     bond    (  8.237,  -4.438,  -0.410)  (  8.242,  -4.433,  -0.410)  ( 0.06,  0.11,  0.02)
183:     angle   (-15.113,  19.214,   5.231)  (-15.111,  19.215,   5.231)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -4.665,  -2.331,  -0.554)  ( -4.666,  -2.331,  -0.554)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.007,   0.399,  -1.363)  (  0.007,   0.399,  -1.362)  ( 0.00,  0.00,  0.09)
183:     oop     ( -0.002,  -0.093,   0.333)  ( -0.001,  -0.078,   0.278)  ( 0.00,  0.14,  1.84)
183:     vdw     ( -7.680,   8.051,   3.527)  ( -7.680,   8.051,   3.527)  ( 0.00,  0.00,  0.00)
183:     electro (  0.588,  -0.473,  -0.110)  (  0.588,  -0.473,  -0.110)  ( 0.00,  0.00,  0.00)
183: 17       ( -6.589,  20.521,   5.019)  ( -6.584,  20.520,   5.042)  ( 0.08,  0.00,  0.45)
183:     bond    (  2.115,   1.161,  -0.091)  (  2.119,   1.164,  -0.091)  ( 0.20,  0.31,  0.00)
183:     angle   ( 25.721,  28.686,   2.043)  ( 25.721,  28.687,   2.043)  ( 0.00,  0.00,  0.01)
183:     strbnd  (-34.795,  -0.918,   2.926)  (-34.795,  -0.918,   2.926)  ( 0.00,  0.00,  0.01)
183:     torsion (  0.088,  -0.609,   5.097)  (  0.088,  -0.609,   5.098)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.003,   0.029,  -0.113)  ( -0.002,   0.024,  -0.092)  ( 0.00,  0.02,  0.25)
183:     vdw     (  0.333,  -8.190,  -5.814)  (  0.333,  -8.190,  -5.813)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.048,   0.362,   0.971)  ( -0.048,   0.362,   0.971)  ( 0.00,  0.00,  0.00)
183: 18       (  4.901,  -9.780,  -7.635)  (  4.906,  -9.775,  -7.629)  ( 0.12,  0.05,  0.07)
183:     bond    (  8.725, -11.934,  -3.140)  (  8.729, -11.929,  -3.136)  ( 0.04,  0.04,  0.13)
183:     angle   ( -9.764,  -7.159,  -6.067)  ( -9.762,  -7.157,  -6.065)  ( 0.02,  0.03,  0.03)
183:     strbnd  ( -5.015,  10.337,   3.735)  ( -5.015,  10.336,   3.735)  ( 0.00,  0.02,  0.02)
183:     torsion ( -0.197,   1.065,  -2.228)  ( -0.197,   1.065,  -2.228)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( 10.854,  -1.808,   0.220)  ( 10.854,  -1.808,   0.220)  ( 0.00,  0.00,  0.00)
183:     electro (  0.296,  -0.282,  -0.155)  (  0.296,  -0.282,  -0.155)  ( 0.00,  0.00,  0.00)
183: 19       (  3.262, -11.126,   7.782)  (  3.268, -11.121,   7.787)  ( 0.17,  0.05,  0.06)
183:     bond    (  1.121,  -2.081,   3.281)  (  1.125,  -2.077,   3.285)  ( 0.37,  0.19,  0.12)
183:     angle   ( -4.420,  -2.772,   7.469)  ( -4.418,  -2.771,   7.471)  ( 0.04,  0.06,  0.02)
183:     strbnd  (  0.275,   1.768,  -3.446)  (  0.274,   1.768,  -3.447)  ( 0.01,  0.03,  0.03)
183:     torsion (  2.173,  -4.215,  -2.094)  (  2.173,  -4.215,  -2.094)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.113,  -3.826,   2.573)  (  4.113,  -3.826,   2.573)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 20       (-13.410,  36.890,  -6.616)  (-13.231,  36.875,  -7.066)  ( 1.34,  0.04,  6.81)
183:     bond    (-25.048,  -5.303,  -9.231)  (-25.043,  -5.295,  -9.230)  ( 0.02,  0.16,  0.01)
183:     angle   ( 27.154,  45.020,   3.962)  ( 27.157,  45.022,   3.962)  ( 0.01,  0.01,  0.00)
183:     strbnd  ( -8.325,   2.343,  -3.287)  ( -8.326,   2.342,  -3.287)  ( 0.01,  0.03,  0.00)
183:     torsion ( -0.784,   0.421,   0.853)  ( -0.784,   0.421,   0.855)  ( 0.01,  0.00,  0.10)
183:     oop     ( -1.005,   0.148,   2.652)  ( -0.833,   0.123,   2.200)  (17.14,  0.37, 17.06)
183:     vdw     ( -7.531,  -5.686,  -2.010)  ( -7.531,  -5.686,  -2.010)  ( 0.00,  0.00,  0.00)
183:     electro (  2.129,  -0.052,   0.444)  (  2.129,  -0.052,   0.444)  ( 0.00,  0.00,  0.00)
183: 21       (-27.162,  29.352, -13.784)  (-27.190,  29.364, -13.696)  ( 0.10,  0.04,  0.64)
183:     bond    (  1.411,  -0.192,   0.529)  (  1.413,  -0.184,   0.530)  ( 0.16,  0.16,  0.02)
183:     angle   (-46.884,  20.267, -18.839)  (-46.882,  20.268, -18.839)  ( 0.00,  0.00,  0.00)
183:     strbnd  ( 12.752,   3.510,   4.513)  ( 12.751,   3.510,   4.513)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.598,   0.098,   1.696)  ( -0.597,   0.098,   1.697)  ( 0.01,  0.00,  0.05)
183:     oop     (  0.246,  -0.028,  -0.654)  (  0.213,  -0.025,  -0.567)  ( 0.80,  0.01,  5.70)
183:     vdw     (  4.514,   7.067,  -1.941)  (  4.514,   7.067,  -1.941)  ( 0.00,  0.00,  0.00)
183:     electro (  1.398,  -1.371,   0.911)  (  1.398,  -1.371,   0.911)  ( 0.00,  0.00,  0.00)
183: 22       ( 25.373,  -3.530,  11.099)  ( 25.354,  -3.518,  11.172)  ( 0.08,  0.35,  0.65)
183:     bond    (  5.877,  -7.278,   2.737)  (  5.883,  -7.273,   2.738)  ( 0.10,  0.07,  0.03)
183:     angle   ( 43.794,  -7.031,  17.104)  ( 43.796,  -7.028,  17.104)  ( 0.00,  0.03,  0.00)
183:     strbnd  (-22.680,  -3.722,  -8.477)  (-22.681,  -3.722,  -8.477)  ( 0.00,  0.01,  0.00)
183:     torsion (  0.130,  -0.036,  -0.336)  (  0.130,  -0.036,  -0.335)  ( 0.00,  0.00,  0.04)
183:     oop     (  0.109,  -0.020,  -0.288)  (  0.082,  -0.015,  -0.218)  ( 0.29,  0.01,  2.03)
183:     vdw     ( -2.056,  15.026,   0.263)  ( -2.056,  15.026,   0.263)  ( 0.00,  0.00,  0.00)
183:     electro (  0.200,  -0.470,   0.097)  (  0.200,  -0.470,   0.097)  ( 0.00,  0.00,  0.00)
183: 23       (-25.753, -35.180,  -7.611)  (-25.763, -35.169,  -7.561)  ( 0.04,  0.03,  0.66)
183:     bond    ( -0.604, -30.983,   1.773)  ( -0.599, -30.977,   1.774)  ( 0.32,  0.02,  0.05)
183:     angle   (-36.863, -14.117, -12.692)  (-36.861, -14.115, -12.691)  ( 0.01,  0.01,  0.00)
183:     strbnd  (  7.549,   3.290,   2.655)  (  7.548,   3.290,   2.655)  ( 0.01,  0.03,  0.01)
183:     torsion (  0.142,  -0.020,  -0.374)  (  0.142,  -0.020,  -0.373)  ( 0.00,  0.00,  0.04)
183:     oop     (  0.061,  -0.009,  -0.157)  (  0.042,  -0.006,  -0.109)  ( 0.11,  0.00,  0.76)
183:     vdw     (  4.758,   7.545,   1.424)  (  4.758,   7.546,   1.424)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.795,  -0.886,  -0.241)  ( -0.795,  -0.886,  -0.241)  ( 0.00,  0.00,  0.00)
183: 24       ( -0.951,  42.977,  -2.589)  ( -0.872,  42.973,  -2.760)  ( 7.57,  0.01,  6.61)
183:     bond    ( -7.128,  36.476,  -5.032)  ( -7.118,  36.481,  -5.030)  ( 0.14,  0.02,  0.03)
183:     angle   (  3.045,   5.260,   0.441)  (  3.047,   5.262,   0.441)  ( 0.07,  0.05,  0.02)
183:     strbnd  (  3.284,   4.936,   0.917)  (  3.283,   4.934,   0.917)  ( 0.03,  0.02,  0.03)
183:     torsion ( -0.021,  -0.004,   0.079)  ( -0.021,  -0.004,   0.080)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.326,   0.056,   0.831)  ( -0.258,   0.044,   0.657)  ( 2.23,  0.06, 14.42)
183:     vdw     (  3.476,  -4.869,   1.621)  (  3.476,  -4.869,   1.621)  ( 0.00,  0.00,  0.00)
183:     electro ( -3.281,   1.124,  -1.446)  ( -3.281,   1.124,  -1.446)  ( 0.00,  0.00,  0.00)
183: 25       (  2.353, -57.543,   5.157)  (  2.241, -57.512,   5.467)  ( 4.76,  0.05,  5.99)
183:     bond    (  8.283,   2.133,   2.726)  (  8.290,   2.140,   2.727)  ( 0.08,  0.31,  0.03)
183:     angle   ( -6.422, -45.385,   1.001)  ( -6.420, -45.383,   1.001)  ( 0.02,  0.01,  0.03)
183:     strbnd  (-10.186,  -7.939,  -3.501)  (-10.187,  -7.938,  -3.501)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.679,  -0.052,  -1.804)  (  0.679,  -0.052,  -1.802)  ( 0.01,  0.00,  0.06)
183:     oop     (  0.701,  -0.126,  -1.797)  (  0.581,  -0.105,  -1.490)  ( 8.39,  0.25, 17.08)
183:     vdw     (  8.959,  -7.735,   8.017)  (  8.959,  -7.735,   8.017)  ( 0.00,  0.01,  0.00)
183:     electro (  0.340,   1.560,   0.515)  (  0.340,   1.560,   0.515)  ( 0.00,  0.00,  0.00)
183: 26       (-24.471, -19.645,  -3.911)  (-24.482, -19.634,  -3.861)  ( 0.04,  0.05,  1.28)
183:     bond    (-24.696,   9.518, -10.388)  (-24.690,   9.523, -10.387)  ( 0.03,  0.05,  0.01)
183:     angle   ( -7.991, -22.014,  -4.231)  ( -7.989, -22.012,  -4.230)  ( 0.02,  0.01,  0.01)
183:     strbnd  (  7.348,  -6.906,   2.805)  (  7.348,  -6.906,   2.805)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.081,  -0.067,  -0.270)  (  0.081,  -0.067,  -0.270)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.110,  -0.023,  -0.279)  (  0.091,  -0.019,  -0.231)  ( 0.20,  0.01,  1.33)
183:     vdw     (  0.759,  -0.386,   8.493)  (  0.759,  -0.386,   8.493)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.082,   0.233,  -0.042)  ( -0.082,   0.233,  -0.042)  ( 0.00,  0.00,  0.00)
183: 27       ( 41.711,  24.030,  14.411)  ( 41.729,  24.033,  14.383)  ( 0.04,  0.01,  0.19)
183:     bond    ( 18.803,  -4.833,   7.511)  ( 18.809,  -4.830,   7.512)  ( 0.03,  0.06,  0.01)
183:     angle   ( 18.124,  40.689,   3.688)  ( 18.124,  40.692,   3.688)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  3.463, -10.759,   2.073)  (  3.463, -10.760,   2.073)  ( 0.01,  0.01,  0.00)
183:     torsion (  0.026,  -0.003,  -0.071)  (  0.026,  -0.003,  -0.071)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.076,   0.016,   0.200)  ( -0.065,   0.014,   0.171)  ( 0.09,  0.00,  0.58)
183:     vdw     (  0.932,  -1.439,   0.904)  (  0.932,  -1.439,   0.904)  ( 0.01,  0.00,  0.00)
183:     electro (  0.440,   0.358,   0.107)  (  0.440,   0.358,   0.107)  ( 0.00,  0.00,  0.00)
183: 28       ( 11.710, -34.700,   6.799)  ( 11.713, -34.692,   6.813)  ( 0.02,  0.02,  0.21)
183:     bond    ( 10.457,  12.301,   2.949)  ( 10.462,  12.307,   2.950)  ( 0.05,  0.05,  0.03)
183:     angle   ( -9.168, -55.992,   0.592)  ( -9.166, -55.990,   0.592)  ( 0.03,  0.00,  0.03)
183:     strbnd  ( 10.254,   8.892,   3.121)  ( 10.253,   8.891,   3.121)  ( 0.01,  0.01,  0.00)
183:     torsion ( -0.078,   0.016,   0.208)  ( -0.078,   0.016,   0.209)  ( 0.00,  0.00,  0.01)
183:     oop     (  0.033,  -0.007,  -0.088)  (  0.029,  -0.006,  -0.076)  ( 0.02,  0.00,  0.11)
183:     vdw     (  0.152,   1.397,  -0.108)  (  0.152,   1.397,  -0.108)  ( 0.00,  0.00,  0.00)
183:     electro (  0.061,  -1.307,   0.124)  (  0.061,  -1.307,   0.124)  ( 0.00,  0.00,  0.00)
183: 29       ( 15.903,   4.286,   5.958)  ( 15.892,   4.291,   6.006)  ( 0.07,  0.11,  0.81)
183:     bond    (  4.738,  -2.006,   1.986)  (  4.745,  -2.005,   1.987)  ( 0.15,  0.06,  0.06)
183:     angle   (  4.344,  11.246,   0.976)  (  4.344,  11.247,   0.976)  ( 0.00,  0.01,  0.00)
183:     strbnd  (  8.204,  -1.157,   3.293)  (  8.204,  -1.157,   3.293)  ( 0.00,  0.02,  0.00)
183:     torsion ( -0.055,   0.010,   0.143)  ( -0.055,   0.010,   0.143)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.076,  -0.012,  -0.195)  (  0.058,  -0.009,  -0.148)  ( 0.14,  0.00,  0.91)
183:     vdw     ( -0.237,  -3.506,   0.148)  ( -0.237,  -3.506,   0.148)  ( 0.00,  0.00,  0.00)
183:     electro ( -1.166,  -0.288,  -0.392)  ( -1.166,  -0.288,  -0.392)  ( 0.00,  0.00,  0.00)
183: 30       ( -2.074,  31.175,  -2.945)  ( -2.064,  31.180,  -2.953)  ( 0.46,  0.02,  0.26)
183:     bond    ( -4.277,   0.277,  -1.598)  ( -4.272,   0.282,  -1.594)  ( 0.12,  0.12,  0.27)
183:     angle   ( 12.189,  27.647,   2.441)  ( 12.190,  27.649,   2.443)  ( 0.02,  0.01,  0.06)
183:     strbnd  (-12.899,  -0.004,  -4.802)  (-12.901,  -0.005,  -4.803)  ( 0.02,  0.00,  0.01)
183:     torsion ( -0.029,  -0.010,   0.078)  ( -0.029,  -0.010,   0.078)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.021,   0.004,   0.055)  ( -0.016,   0.003,   0.042)  ( 0.01,  0.00,  0.07)
183:     vdw     (  2.572,   3.686,   0.693)  (  2.572,   3.686,   0.693)  ( 0.00,  0.00,  0.00)
183:     electro (  0.391,  -0.425,   0.188)  (  0.391,  -0.425,   0.188)  ( 0.00,  0.00,  0.00)
183: 31       ( -1.650,  -0.829,   5.649)  ( -1.630,  -0.826,   5.618)  ( 1.18,  0.22,  0.55)
183:     bond    (  2.316,  -1.013,   0.462)  (  2.320,  -1.009,   0.466)  ( 0.17,  0.39,  0.18)
183:     angle   ( -1.033,  -3.283,   3.719)  ( -1.030,  -3.281,   3.721)  ( 0.20,  0.06,  0.05)
183:     strbnd  ( -1.912,   0.920,  -0.790)  ( -1.913,   0.919,  -0.791)  ( 0.04,  0.06,  0.08)
183:     torsion ( -0.089,   0.197,   0.525)  ( -0.089,   0.197,   0.525)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.059,   0.012,   0.150)  ( -0.045,   0.010,   0.114)  ( 0.08,  0.00,  0.53)
183:     vdw     ( -0.575,   2.524,   1.662)  ( -0.575,   2.524,   1.662)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.297,  -0.187,  -0.080)  ( -0.297,  -0.187,  -0.080)  ( 0.00,  0.00,  0.00)
183: 32       ( -0.533,   9.885,  -5.279)  ( -0.528,   9.891,  -5.275)  ( 0.30,  0.05,  0.09)
183:     bond    ( -0.397,   0.967,   0.156)  ( -0.393,   0.971,   0.160)  ( 0.16,  0.37,  0.06)
183:     angle   (  1.310,   8.321,  -3.491)  (  1.312,   8.323,  -3.489)  ( 0.14,  0.02,  0.06)
183:     strbnd  (  0.932,  -1.664,  -0.673)  (  0.932,  -1.665,  -0.674)  ( 0.03,  0.04,  0.07)
183:     torsion ( -1.283,   1.507,   0.186)  ( -1.282,   1.508,   0.186)  ( 0.01,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.096,   0.754,  -1.457)  ( -1.096,   0.754,  -1.457)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 33       ( -0.762,  -6.186,  -6.819)  ( -0.756,  -6.181,  -6.814)  ( 0.42,  0.08,  0.08)
183:     bond    ( -0.257,   0.740,  -0.064)  ( -0.253,   0.744,  -0.060)  ( 0.11,  0.30,  0.03)
183:     angle   ( -0.057,  -7.999,  -0.743)  ( -0.055,  -7.998,  -0.742)  ( 0.01,  0.02,  0.13)
183:     strbnd  ( -0.135,   0.372,   0.957)  ( -0.135,   0.371,   0.957)  ( 0.01,  0.03,  0.07)
183:     torsion (  0.594,   0.454,  -0.563)  (  0.594,   0.454,  -0.563)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.907,   0.247,  -6.406)  ( -0.907,   0.247,  -6.406)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 34       (  3.845, -11.220,   1.372)  (  3.846, -11.218,   1.373)  ( 0.03,  0.02,  0.05)
183:     bond    (  5.169, -14.116,   0.695)  (  5.169, -14.113,   0.695)  ( 0.01,  0.02,  0.01)
183:     angle   (  3.342,   1.196,  -0.586)  (  3.343,   1.196,  -0.585)  ( 0.02,  0.01,  0.03)
183:     strbnd  ( -1.346,  -0.265,  -0.102)  ( -1.346,  -0.265,  -0.102)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.449,   0.094,  -1.417)  (  0.449,   0.094,  -1.417)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.769,   1.870,   2.782)  ( -3.769,   1.870,   2.782)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 35       (  3.186,   4.348, -12.560)  (  3.187,   4.349, -12.557)  ( 0.03,  0.02,  0.02)
183:     bond    (  3.564,   5.536, -13.771)  (  3.564,   5.537, -13.769)  ( 0.01,  0.01,  0.02)
183:     angle   (  4.272,   0.896,   1.466)  (  4.273,   0.896,   1.466)  ( 0.01,  0.04,  0.01)
183:     strbnd  ( -1.404,  -0.280,   0.081)  ( -1.404,  -0.280,   0.081)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.176,  -0.765,  -0.353)  ( -0.176,  -0.765,  -0.353)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -3.070,  -1.039,   0.017)  ( -3.070,  -1.039,   0.017)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 36       ( 12.939,  -0.809,   0.266)  ( 12.942,  -0.808,   0.266)  ( 0.02,  0.05,  0.02)
183:     bond    ( 14.948,  -0.872,  -2.186)  ( 14.951,  -0.871,  -2.186)  ( 0.02,  0.01,  0.01)
183:     angle   ( -0.194,  -0.295,  -1.209)  ( -0.194,  -0.294,  -1.209)  ( 0.00,  0.01,  0.05)
183:     strbnd  ( -0.620,   0.104,   0.833)  ( -0.620,   0.104,   0.833)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.055,   0.235,   0.284)  (  0.055,   0.235,   0.284)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.250,   0.018,   2.544)  ( -1.250,   0.018,   2.544)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 37       ( -3.970,  10.635,   0.243)  ( -3.969,  10.638,   0.244)  ( 0.02,  0.03,  0.02)
183:     bond    ( -3.964,  14.301,  -1.740)  ( -3.964,  14.304,  -1.740)  ( 0.01,  0.02,  0.01)
183:     angle   (  0.591,  -0.040,  -1.679)  (  0.592,  -0.040,  -1.678)  ( 0.03,  0.00,  0.03)
183:     strbnd  (  0.204,  -0.463,   0.799)  (  0.204,  -0.463,   0.799)  ( 0.00,  0.00,  0.00)
183:     torsion (  1.285,   0.262,  -0.775)  (  1.285,   0.262,  -0.775)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.086,  -3.424,   3.639)  ( -2.086,  -3.424,   3.639)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 38       ( -0.865,  -4.190,  12.257)  ( -0.865,  -4.189,  12.259)  ( 0.07,  0.02,  0.02)
183:     bond    ( -3.389,  -5.369,  13.737)  ( -3.388,  -5.369,  13.739)  ( 0.01,  0.01,  0.02)
183:     angle   ( -1.029,  -0.520,  -0.457)  ( -1.029,  -0.520,  -0.457)  ( 0.05,  0.02,  0.00)
183:     strbnd  (  0.813,   0.452,  -0.424)  (  0.813,   0.452,  -0.424)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.168,   0.305,   0.160)  (  0.168,   0.305,   0.160)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.572,   0.942,  -0.759)  (  2.572,   0.942,  -0.759)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 39       ( -2.366,  11.043,  -1.302)  ( -2.365,  11.045,  -1.301)  ( 0.04,  0.02,  0.05)
183:     bond    ( -5.175,  13.998,  -0.756)  ( -5.174,  14.001,  -0.756)  ( 0.01,  0.02,  0.01)
183:     angle   ( -1.747,  -0.629,   0.301)  ( -1.746,  -0.629,   0.301)  ( 0.03,  0.00,  0.01)
183:     strbnd  (  0.846,  -0.285,   0.215)  (  0.846,  -0.285,   0.215)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.933,  -0.284,   1.129)  ( -0.933,  -0.284,   1.129)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  4.643,  -1.758,  -2.190)  (  4.643,  -1.758,  -2.190)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 40       (-14.084,   0.166,   1.101)  (-14.081,   0.167,   1.102)  ( 0.02,  0.01,  0.07)
183:     bond    (-15.161,   0.766,   2.378)  (-15.158,   0.766,   2.378)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.632,  -0.293,   4.123)  (  0.632,  -0.293,   4.124)  ( 0.00,  0.01,  0.01)
183:     strbnd  (  0.268,   0.146,  -1.361)  (  0.268,   0.146,  -1.361)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.102,  -0.786,  -0.394)  ( -0.102,  -0.786,  -0.394)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.279,   0.334,  -3.644)  (  0.280,   0.334,  -3.644)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 41       (  4.171, -11.140,   1.325)  (  4.172, -11.137,   1.325)  ( 0.02,  0.02,  0.06)
183:     bond    (  4.150, -14.362,   1.795)  (  4.150, -14.360,   1.795)  ( 0.01,  0.02,  0.01)
183:     angle   ( -1.040,   0.213,   4.111)  ( -1.039,   0.213,   4.111)  ( 0.04,  0.00,  0.01)
183:     strbnd  (  0.104,   0.125,  -1.337)  (  0.104,   0.125,  -1.337)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.377,  -0.373,   0.198)  ( -1.377,  -0.373,   0.198)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.335,   3.257,  -3.441)  (  2.335,   3.257,  -3.441)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 42       ( -4.567,  10.654,  -2.215)  ( -4.567,  10.656,  -2.215)  ( 0.02,  0.03,  0.03)
183:     bond    ( -3.731,  13.029,  -0.572)  ( -3.730,  13.032,  -0.572)  ( 0.01,  0.02,  0.00)
183:     angle   (  1.346,   0.459,   1.669)  (  1.346,   0.459,   1.669)  ( 0.03,  0.00,  0.03)
183:     strbnd  ( -0.246,  -0.135,  -0.322)  ( -0.246,  -0.135,  -0.322)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.006,  -0.001,   0.005)  ( -0.006,  -0.001,   0.005)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.931,  -2.698,  -2.995)  ( -1.931,  -2.698,  -2.995)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 43       ( 11.621,  -1.350,  -2.700)  ( 11.624,  -1.349,  -2.700)  ( 0.03,  0.04,  0.02)
183:     bond    ( 13.434,  -0.728,  -1.655)  ( 13.437,  -0.728,  -1.655)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.239,  -0.414,   2.123)  (  0.239,  -0.413,   2.123)  ( 0.00,  0.02,  0.02)
183:     strbnd  ( -0.632,  -0.208,  -0.263)  ( -0.633,  -0.208,  -0.263)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.014,   0.348,  -0.265)  ( -0.014,   0.348,  -0.265)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -1.406,  -0.348,  -2.640)  ( -1.406,  -0.348,  -2.640)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 44       ( -3.360,  -5.091,  10.354)  ( -3.359,  -5.090,  10.356)  ( 0.02,  0.02,  0.03)
183:     bond    ( -2.735,  -4.743,  12.407)  ( -2.734,  -4.742,  12.410)  ( 0.01,  0.01,  0.02)
183:     angle   (  2.115,   0.037,   0.480)  (  2.115,   0.037,   0.480)  ( 0.02,  0.00,  0.00)
183:     strbnd  ( -0.131,  -0.084,  -0.698)  ( -0.131,  -0.084,  -0.698)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.336,   0.257,   0.024)  ( -0.336,   0.257,   0.024)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.272,  -0.558,  -1.860)  ( -2.272,  -0.558,  -1.860)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 45       (  7.917,   7.582,   1.982)  (  7.919,   7.587,   1.972)  ( 0.03,  0.06,  0.48)
183:     bond    (  9.306,   9.280,   2.085)  (  9.308,   9.282,   2.085)  ( 0.02,  0.02,  0.01)
183:     angle   ( -0.825,   0.781,   0.202)  ( -0.825,   0.782,   0.202)  ( 0.03,  0.02,  0.00)
183:     strbnd  ( -0.536,  -0.577,  -0.147)  ( -0.536,  -0.577,  -0.147)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.003,   0.038,  -0.155)  ( -0.003,   0.038,  -0.155)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.001,  -0.014,   0.060)  (  0.001,  -0.012,   0.050)  ( 0.00,  0.00,  0.06)
183:     vdw     (  0.608,  -1.936,  -0.168)  (  0.608,  -1.936,  -0.168)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.634,   0.010,   0.105)  ( -0.634,   0.010,   0.105)  ( 0.00,  0.00,  0.00)
183: 46       ( -0.949,   8.842,   2.170)  ( -0.948,   8.848,   2.157)  ( 0.07,  0.07,  0.57)
183:     bond    ( -2.236,  11.174,   2.917)  ( -2.236,  11.177,   2.918)  ( 0.01,  0.03,  0.01)
183:     angle   (  7.037,   1.340,   0.260)  (  7.038,   1.340,   0.260)  ( 0.01,  0.00,  0.00)
183:     strbnd  (  0.866,  -2.736,  -0.746)  (  0.866,  -2.736,  -0.746)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.005,  -0.155,   0.595)  (  0.005,  -0.155,   0.596)  ( 0.00,  0.00,  0.02)
183:     oop     (  0.002,  -0.022,   0.087)  (  0.001,  -0.019,   0.074)  ( 0.00,  0.01,  0.11)
183:     vdw     ( -6.676,  -0.740,  -0.917)  ( -6.676,  -0.740,  -0.917)  ( 0.00,  0.00,  0.00)
183:     electro (  0.054,  -0.019,  -0.027)  (  0.054,  -0.019,  -0.027)  ( 0.00,  0.00,  0.00)
183: 47       (  3.127,  -7.668,  -2.910)  (  3.129,  -7.675,  -2.873)  ( 0.04,  0.09,  1.26)
183:     bond    (  3.394, -11.784,  -3.276)  (  3.394, -11.781,  -3.275)  ( 0.01,  0.03,  0.01)
183:     angle   (  2.930,   0.813,   0.113)  (  2.931,   0.813,   0.113)  ( 0.02,  0.00,  0.00)
183:     strbnd  ( -0.210,   2.122,   0.663)  ( -0.210,   2.122,   0.663)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.017,   0.295,  -1.081)  ( -0.017,   0.295,  -1.080)  ( 0.00,  0.00,  0.03)
183:     oop     ( -0.001,   0.065,  -0.234)  ( -0.001,   0.055,  -0.198)  ( 0.00,  0.06,  0.85)
183:     vdw     ( -3.105,   0.175,   0.934)  ( -3.105,   0.175,   0.934)  ( 0.01,  0.00,  0.00)
183:     electro (  0.137,   0.646,  -0.030)  (  0.137,   0.646,  -0.030)  ( 0.00,  0.00,  0.00)
183: 48       (-12.816,  -1.854,   2.520)  (-12.814,  -1.854,   2.521)  ( 0.02,  0.04,  0.03)
183:     bond    (-14.576,  -0.381,   3.434)  (-14.573,  -0.381,   3.434)  ( 0.02,  0.00,  0.01)
183:     angle   (  0.009,  -1.112,  -0.086)  (  0.009,  -1.111,  -0.085)  ( 0.00,  0.06,  0.00)
183:     strbnd  (  1.318,  -0.737,  -0.196)  (  1.318,  -0.737,  -0.196)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.019,   0.024,   0.082)  (  0.019,   0.024,   0.082)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.413,   0.351,  -0.714)  (  0.413,   0.351,  -0.714)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 49       (  5.085,   1.582,   9.404)  (  5.086,   1.583,   9.406)  ( 0.02,  0.07,  0.02)
183:     bond    (  5.282,   5.246,   8.963)  (  5.283,   5.247,   8.965)  ( 0.01,  0.01,  0.02)
183:     angle   ( -6.276,   0.410,   3.458)  ( -6.276,   0.410,   3.458)  ( 0.01,  0.02,  0.01)
183:     strbnd  (  0.301,  -0.757,   0.046)  (  0.301,  -0.757,   0.046)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.066,   0.065,   0.001)  ( -0.066,   0.065,   0.001)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  5.844,  -3.382,  -3.063)  (  5.844,  -3.382,  -3.063)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 50       ( -4.133,  12.029,  -0.342)  ( -4.132,  12.031,  -0.341)  ( 0.02,  0.02,  0.02)
183:     bond    ( -5.002,  12.797,   0.970)  ( -5.002,  12.800,   0.970)  ( 0.01,  0.02,  0.01)
183:     angle   (  0.821,   0.446,  -1.651)  (  0.821,   0.446,  -1.650)  ( 0.03,  0.00,  0.03)
183:     strbnd  (  0.347,  -0.722,  -0.122)  (  0.347,  -0.722,  -0.122)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.174,  -0.064,  -0.056)  ( -0.174,  -0.064,  -0.056)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.125,  -0.429,   0.516)  ( -0.125,  -0.429,   0.516)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 51       ( 12.057,   2.405,  -2.800)  ( 12.060,   2.406,  -2.799)  ( 0.02,  0.02,  0.03)
183:     bond    ( 11.866,   0.949,  -3.585)  ( 11.869,   0.949,  -3.584)  ( 0.02,  0.01,  0.01)
214: ......./usr/lib/python3.9/subprocess.py:935: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
214: /usr/lib/python3.9/subprocess.py:941: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stdout = io.open(c2pread, 'rb', bufsize)
214: /usr/lib/python3.9/subprocess.py:946: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
214:   self.stderr = io.open(errread, 'rb', bufsize)
214: ......
214: ----------------------------------------------------------------------
214: Ran 13 tests in 64.616s
214: 
214: OK
214: 
212/229 Test #214: pytest_babel .....................   Passed   68.00 sec
test 216
        Start 216: pytest_smartssym

216: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_smartssym.cmake"
216: Test timeout computed to be: 1500
216: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
183:     angle   ( -1.377,   2.670,  -3.852)  ( -1.377,   2.670,  -3.852)  ( 0.00,  0.02,  0.01)
183:     strbnd  ( -0.478,  -0.001,   0.072)  ( -0.478,  -0.001,   0.072)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.190,   2.069,   1.178)  (  0.190,   2.069,   1.178)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  1.856,  -3.282,   3.388)  (  1.856,  -3.282,   3.388)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 52       ( -7.404,  -4.012,  -9.315)  ( -7.403,  -4.011,  -9.313)  ( 0.02,  0.03,  0.02)
183:     bond    ( -6.876,  -6.421, -10.083)  ( -6.875,  -6.420, -10.081)  ( 0.01,  0.01,  0.02)
183:     angle   (  0.750,   1.477,  -1.453)  (  0.750,   1.478,  -1.453)  ( 0.03,  0.03,  0.02)
183:     strbnd  (  0.385,   0.337,   0.420)  (  0.385,   0.337,   0.420)  ( 0.00,  0.00,  0.00)
183:     torsion ( -1.909,   1.279,   0.487)  ( -1.909,   1.279,   0.487)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.246,  -0.685,   1.314)  (  0.246,  -0.685,   1.314)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 53       ( 13.213,  -8.643,   4.216)  ( 13.227,  -8.641,   4.183)  ( 0.11,  0.02,  0.79)
183:     bond    (  1.222, -10.271,   1.446)  (  1.222, -10.266,   1.446)  ( 0.00,  0.05,  0.00)
183:     angle   (  5.790,   0.964,   1.949)  (  5.790,   0.964,   1.949)  ( 0.01,  0.00,  0.01)
183:     strbnd  (  0.388,  -1.593,   0.291)  (  0.388,  -1.593,   0.291)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.654,  -0.156,  -1.664)  (  0.654,  -0.156,  -1.664)  ( 0.00,  0.00,  0.01)
183:     oop     ( -0.122,   0.029,   0.309)  ( -0.108,   0.026,   0.275)  ( 0.16,  0.01,  1.04)
183:     vdw     (  4.608,   1.041,   2.666)  (  4.609,   1.041,   2.666)  ( 0.00,  0.00,  0.00)
183:     electro (  0.672,   1.344,  -0.779)  (  0.672,   1.344,  -0.779)  ( 0.00,  0.00,  0.00)
183: 54       ( -7.250, -11.027,  -1.781)  ( -7.249, -11.024,  -1.781)  ( 0.01,  0.03,  0.03)
183:     bond    ( -4.260, -12.234,  -0.605)  ( -4.260, -12.231,  -0.605)  ( 0.01,  0.02,  0.00)
183:     angle   ( -3.795,   1.395,  -1.482)  ( -3.795,   1.395,  -1.482)  ( 0.01,  0.01,  0.03)
183:     strbnd  ( -1.388,  -0.259,  -0.495)  ( -1.388,  -0.259,  -0.495)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.002,  -0.000,  -0.006)  (  0.002,  -0.000,  -0.006)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.191,   0.071,   0.806)  (  2.191,   0.071,   0.806)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 55       (-10.238,   6.128,   6.355)  (-10.237,   6.129,   6.357)  ( 0.01,  0.02,  0.02)
183:     bond    ( -7.660,   6.780,   8.104)  ( -7.659,   6.781,   8.105)  ( 0.01,  0.01,  0.01)
183:     angle   ( -3.786,  -2.269,  -1.680)  ( -3.786,  -2.268,  -1.680)  ( 0.01,  0.01,  0.02)
183:     strbnd  ( -1.833,   0.486,   0.087)  ( -1.833,   0.486,   0.087)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.000,   0.001,  -0.001)  (  0.000,   0.001,  -0.001)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,   0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  3.040,   1.129,  -0.155)  (  3.040,   1.129,  -0.155)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 56       ( -3.327,   4.630, -12.310)  ( -3.326,   4.631, -12.307)  ( 0.02,  0.02,  0.02)
183:     bond    ( -0.179,   5.185, -12.000)  ( -0.178,   5.185, -11.998)  ( 0.00,  0.01,  0.02)
183:     angle   ( -3.994,  -2.155,  -0.872)  ( -3.993,  -2.155,  -0.872)  ( 0.01,  0.02,  0.01)
183:     strbnd  ( -1.307,   0.375,  -1.326)  ( -1.307,   0.375,  -1.326)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.002,   0.012,   0.005)  ( -0.002,   0.012,   0.005)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  2.154,   1.213,   1.884)  (  2.154,   1.213,   1.884)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 57       ( -0.307,  -9.122,  -8.188)  ( -0.306,  -9.120,  -8.187)  ( 0.02,  0.02,  0.02)
183:     bond    (  0.825, -11.920,  -8.291)  (  0.825, -11.918,  -8.290)  ( 0.01,  0.02,  0.01)
183:     angle   (  0.266,   0.885,  -1.246)  (  0.266,   0.885,  -1.246)  ( 0.01,  0.02,  0.03)
183:     strbnd  (  0.564,   0.787,   0.734)  (  0.564,   0.787,   0.734)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.170,  -0.005,   0.024)  (  0.170,  -0.005,   0.024)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.131,   1.130,   0.592)  ( -2.131,   1.130,   0.592)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 58       (  9.212,   6.945,  -1.363)  (  9.214,   6.946,  -1.362)  ( 0.03,  0.02,  0.05)
183:     bond    ( 12.173,   6.773,  -1.368)  ( 12.175,   6.774,  -1.368)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.058,  -0.350,  -1.218)  (  0.058,  -0.349,  -1.217)  ( 0.00,  0.01,  0.04)
183:     strbnd  ( -0.521,  -1.011,   0.065)  ( -0.521,  -1.011,   0.065)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.181,  -0.338,  -0.064)  (  0.181,  -0.338,  -0.064)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -2.678,   1.870,   1.221)  ( -2.678,   1.870,   1.222)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 59       (-10.799,  -6.712,  -0.430)  (-10.797,  -6.711,  -0.429)  ( 0.02,  0.02,  0.03)
183:     bond    (-12.830,  -7.728,   1.306)  (-12.828,  -7.727,   1.306)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.385,  -0.545,   0.558)  (  0.385,  -0.545,   0.558)  ( 0.01,  0.02,  0.03)
183:     strbnd  (  0.887,   0.269,   0.033)  (  0.887,   0.269,   0.033)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.569,  -0.988,  -0.256)  (  0.569,  -0.988,  -0.256)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.191,   2.279,  -2.071)  (  0.191,   2.279,  -2.071)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 60       (  9.776,  -8.215,   3.975)  (  9.777,  -8.214,   3.976)  ( 0.02,  0.02,  0.02)
183:     bond    ( 11.330,  -9.354,   4.398)  ( 11.332,  -9.353,   4.398)  ( 0.01,  0.01,  0.01)
183:     angle   ( -0.016,   0.054,   0.154)  ( -0.015,   0.054,   0.155)  ( 0.00,  0.00,  0.01)
183:     strbnd  ( -0.988,   0.483,  -0.237)  ( -0.988,   0.483,  -0.237)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.315,  -0.335,   0.099)  ( -0.315,  -0.335,   0.099)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.236,   0.937,  -0.438)  ( -0.236,   0.937,  -0.438)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 61       ( -1.361,  -1.860,  12.613)  ( -1.360,  -1.859,  12.616)  ( 0.04,  0.04,  0.02)
183:     bond    ( -1.242,  -3.974,  13.096)  ( -1.242,  -3.974,  13.099)  ( 0.01,  0.01,  0.02)
183:     angle   ( -0.493,   2.159,   0.609)  ( -0.492,   2.160,   0.609)  ( 0.02,  0.02,  0.00)
183:     strbnd  (  0.058,   0.509,  -0.577)  (  0.058,   0.509,  -0.577)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.242,  -0.008,   0.020)  (  0.242,  -0.008,   0.020)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.075,  -0.546,  -0.535)  (  0.075,  -0.546,  -0.535)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 62       (  9.949,   7.205,  -0.655)  (  9.951,   7.206,  -0.654)  ( 0.02,  0.02,  0.04)
183:     bond    ( 11.359,   7.334,  -1.037)  ( 11.361,   7.335,  -1.037)  ( 0.02,  0.01,  0.01)
183:     angle   ( -0.599,   1.148,   1.564)  ( -0.599,   1.148,   1.564)  ( 0.01,  0.03,  0.03)
183:     strbnd  ( -0.498,  -0.036,   0.239)  ( -0.498,  -0.036,   0.239)  ( 0.00,  0.00,  0.00)
183:     torsion (  0.089,  -0.116,   0.153)  (  0.089,  -0.116,   0.153)  ( 0.00,  0.00,  0.00)
183:     oop     (  0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     ( -0.402,  -1.125,  -1.573)  ( -0.402,  -1.125,  -1.573)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: 63       ( -9.227,   7.918,  -3.842)  ( -9.225,   7.919,  -3.841)  ( 0.02,  0.02,  0.02)
183:     bond    (-10.234,   7.920,  -2.677)  (-10.232,   7.921,  -2.677)  ( 0.02,  0.01,  0.01)
183:     angle   (  0.410,   1.448,   2.720)  (  0.410,   1.449,   2.720)  ( 0.01,  0.02,  0.02)
183:     strbnd  (  0.495,  -0.112,   0.334)  (  0.495,  -0.112,   0.334)  ( 0.00,  0.00,  0.00)
183:     torsion ( -0.316,  -0.287,   0.358)  ( -0.316,  -0.287,   0.358)  ( 0.00,  0.00,  0.00)
183:     oop     ( -0.000,   0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183:     vdw     (  0.419,  -1.051,  -4.577)  (  0.419,  -1.051,  -4.577)  ( 0.00,  0.00,  0.00)
183:     electro ( -0.000,  -0.000,  -0.000)  (  0.000,   0.000,   0.000)  ( 0.00,  0.00,  0.00)
183: ok 36 # gradients 
213/229 Test #183: test_ffmmff94_5 ..................   Passed  178.58 sec
test 217
        Start 217: pytest_fastsearch

217: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_fastsearch.cmake"
217: Test timeout computed to be: 1500
217: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
217: .
217: ----------------------------------------------------------------------
217: Ran 1 test in 8.291s
217: 
217: OK
217: 
214/229 Test #217: pytest_fastsearch ................   Passed    8.85 sec
test 218
        Start 218: pytest_distgeom

218: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_distgeom.cmake"
218: Test timeout computed to be: 1500
218: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
216: /usr/lib/python3.9/subprocess.py:935: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
216: /usr/lib/python3.9/subprocess.py:941: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stdout = io.open(c2pread, 'rb', bufsize)
216: /usr/lib/python3.9/subprocess.py:946: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
216:   self.stderr = io.open(errread, 'rb', bufsize)
216: ....
216: ----------------------------------------------------------------------
216: Ran 4 tests in 20.913s
216: 
216: OK
216: 
215/229 Test #216: pytest_smartssym .................   Passed   21.66 sec
test 219
        Start 219: pytest_unique

219: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_unique.cmake"
219: Test timeout computed to be: 1500
219: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
219: /usr/lib/python3.9/subprocess.py:935: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
219:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
219: /usr/lib/python3.9/subprocess.py:941: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
219:   self.stdout = io.open(c2pread, 'rb', bufsize)
219: /usr/lib/python3.9/subprocess.py:946: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
219:   self.stderr = io.open(errread, 'rb', bufsize)
219: .
219: ----------------------------------------------------------------------
219: Ran 1 test in 6.413s
219: 
219: OK
219: 
216/229 Test #219: pytest_unique ....................   Passed    6.93 sec
test 220
        Start 220: pytest_kekule

220: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_kekule.cmake"
220: Test timeout computed to be: 1500
220: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
220: /usr/lib/python3.9/subprocess.py:935: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
220:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
220: /usr/lib/python3.9/subprocess.py:941: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
220:   self.stdout = io.open(c2pread, 'rb', bufsize)
220: /usr/lib/python3.9/subprocess.py:946: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
220:   self.stderr = io.open(errread, 'rb', bufsize)
220: ...
220: ----------------------------------------------------------------------
220: Ran 3 tests in 12.372s
220: 
220: OK
220: 
217/229 Test #220: pytest_kekule ....................   Passed   12.90 sec
test 221
        Start 221: pytest_pdbformat

221: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_pdbformat.cmake"
221: Test timeout computed to be: 1500
221: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
221: /usr/lib/python3.9/subprocess.py:935: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
221:   self.stdin = io.open(p2cwrite, 'wb', bufsize)
221: /usr/lib/python3.9/subprocess.py:941: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
221:   self.stdout = io.open(c2pread, 'rb', bufsize)
221: /usr/lib/python3.9/subprocess.py:946: RuntimeWarning: line buffering (buffering=1) isn't supported in binary mode, the default buffer size will be used
221:   self.stderr = io.open(errread, 'rb', bufsize)
221: .
221: ----------------------------------------------------------------------
221: Ran 1 test in 0.454s
221: 
221: OK
221: 
218/229 Test #221: pytest_pdbformat .................   Passed    1.04 sec
test 222
        Start 222: pytest_RInChI

222: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pytest_RInChI.cmake"
222: Test timeout computed to be: 1500
222: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
222: ..
222: ----------------------------------------------------------------------
222: Ran 2 tests in 22.616s
222: 
222: OK
222: 
219/229 Test #222: pytest_RInChI ....................   Passed   23.34 sec
test 223
        Start 223: pybindtest_bindings

223: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_bindings.cmake"
223: Test timeout computed to be: 1500
223: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
223: ...==============================
223: *** Open Babel Warning  in WriteMolecule
223:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
223: ....==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Too many greater-than signs in SMILES string
223: 
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Too many greater-than signs in SMILES string
223: 
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Too many greater-than signs in SMILES string
223: 
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
223: ..==============================
223: *** Open Babel Warning  in IsValid
223:   The molecule is not marked as a reaction. Use SetIsReaction().
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   Reaction roles should be in the range 0 to 3 inclusive.
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   Reaction component Ids should all be non-zero positive integers.
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   The molecule contains an atom that is missing a reaction component Id. Use SetComponentId().
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   A reaction component Id has been stored using a data type that is not an OBPairInteger.
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   The molecule contains a connected component that contains atoms with different reaction component Ids. All atoms in a particular connected component should have the same value.
223: ==============================
223: *** Open Babel Warning  in IsValid
223:   The molecule contains a connected component that contains atoms with different reaction roles. All atoms in a particular connected component should have the same role.
223: ...........==============================
223: *** Open Babel Warning  in ReadMolecule
223:   WARNING: Problem interpreting the valence field of an atom
223: The valence field specifies a valence 0 that is
223: less than the observed explicit valence 1.
223: 
223: .==============================
223: *** Open Babel Warning  in WriteMolecule
223:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
223: ..........==============================
223: *** Open Babel Error  in ParseComplex
223:   SMILES string contains a character '#' which is invalid
223: ==============================
223: *** Open Babel Error  in ParseComplex
223:   Element number must be <= 255)
223: ==============================
223: *** Open Babel Error  in ParseComplex
223:   SMILES string contains a character '#' which is invalid
223: ..==============================
223: *** Open Babel Warning  in ParseRingBond
223:   Warning: Tetrahedral stereo specified for atom with more than 4 connections.
223: ==============================
223: *** Open Babel Warning  in ParseSmiles
223:   Failed to kekulize aromatic SMILES
223: 
223: ...terminate called after throwing an instance of 'std::bad_alloc'
223:   what():  std::bad_alloc
223: 
223: CMake Error at pybindtest_bindings.cmake:20 (MESSAGE):
223:   Subprocess aborted
223: 
223: 
220/229 Test #213: inchiSteffen_PubChem.smi_Test ....***Timeout 4234.14 sec
==============================
*** Open Babel Warning  in InChI code
  #6 :Accepted unusual valence(s): C(3);
==============================
*** Open Babel Warning  in InChI code
  #8 :Salt was disconnected;
==============================
*** Open Babel Warning  in InChI code
  #30 :Salt was disconnected;

test 224
        Start 224: pybindtest__pybel

224: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest__pybel.cmake"
224: Test timeout computed to be: 1500
221/229 Test #215: pytest_sym .......................***Timeout 4233.04 sec
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf

test 225
        Start 225: pybindtest_example

225: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_example.cmake"
225: Test timeout computed to be: 1500
222/229 Test #218: pytest_distgeom ..................***Timeout 4152.67 sec
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf

test 226
        Start 226: pybindtest_obconv_writers

226: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_obconv_writers.cmake"
226: Test timeout computed to be: 1500
223/229 Test #223: pybindtest_bindings ..............***Timeout 4101.71 sec
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
...==============================
*** Open Babel Warning  in WriteMolecule
  No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
....==============================
*** Open Babel Warning  in ParseSmiles
  Too many greater-than signs in SMILES string

==============================
*** Open Babel Warning  in ParseSmiles
  Too many greater-than signs in SMILES string

==============================
*** Open Babel Warning  in ParseSmiles
  Too many greater-than signs in SMILES string

==============================
*** Open Babel Warning  in ParseSmiles
  Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
==============================
*** Open Babel Warning  in ParseSmiles
  Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
==============================
*** Open Babel Warning  in ParseSmiles
  Invalid reaction SMILES string: only a single '>' sign found (two required to be valid).
..==============================
*** Open Babel Warning  in IsValid
  The molecule is not marked as a reaction. Use SetIsReaction().
==============================
*** Open Babel Warning  in IsValid
  Reaction roles should be in the range 0 to 3 inclusive.
==============================
*** Open Babel Warning  in IsValid
  Reaction component Ids should all be non-zero positive integers.
==============================
*** Open Babel Warning  in IsValid
  The molecule contains an atom that is missing a reaction component Id. Use SetComponentId().
==============================
*** Open Babel Warning  in IsValid
  A reaction component Id has been stored using a data type that is not an OBPairInteger.
==============================
*** Open Babel Warning  in IsValid
  The molecule contains a connected component that contains atoms with different reaction component Ids. All atoms in a particular connected component should have the same value.
==============================
*** Open Babel Warning  in IsValid
  The molecule contains a connected component that contains atoms with different reaction roles. All atoms in a particular connected component should have the same role.
...........==============================
*** Open Babel Warning  in ReadMolecule
  WARNING: Problem interpreting the valence field of an atom
The valence field specifies a valence 0 that is
less than the observed explicit valence 1.

.==============================
*** Open Babel Warning  in WriteMolecule
  No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
..........==============================
*** Open Babel Error  in ParseComplex
  SMILES string contains a character '#' which is invalid
==============================
*** Open Babel Error  in ParseComplex
  Element number must be <= 255)
==============================
*** Open Babel Error  in ParseComplex
  SMILES string contains a character '#' which is invalid
..==============================
*** Open Babel Warning  in ParseRingBond
  Warning: Tetrahedral stereo specified for atom with more than 4 connections.
==============================
*** Open Babel Warning  in ParseSmiles
  Failed to kekulize aromatic SMILES

...terminate called after throwing an instance of 'std::bad_alloc'
  what():  std::bad_alloc

CMake Error at pybindtest_bindings.cmake:20 (MESSAGE):
  Subprocess aborted



test 227
        Start 227: pybindtest_cdjsonformat

227: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_cdjsonformat.cmake"
227: Test timeout computed to be: 1500
226: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
225: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
227: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
224: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
225: ..
225: ----------------------------------------------------------------------
225: Ran 2 tests in 0.006s
225: 
225: OK
225: 
224/229 Test #225: pybindtest_example ...............   Passed  1124.36 sec
test 228
        Start 228: pybindtest_pcjsonformat

228: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_pcjsonformat.cmake"
228: Test timeout computed to be: 1500
227: ..........
227: ----------------------------------------------------------------------
227: Ran 10 tests in 0.078s
227: 
227: OK
227: 
225/229 Test #227: pybindtest_cdjsonformat ..........   Passed  1124.27 sec
test 229
        Start 229: pybindtest_roundtrip

229: Test command: /usr/bin/cmake "-P" "/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/pybindtest_roundtrip.cmake"
229: Test timeout computed to be: 1500
228: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
229: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf
226: .............................................................................................................................................
226: ----------------------------------------------------------------------
226: Ran 141 tests in 15.892s
226: 
226: OK
226: 
226/229 Test #226: pybindtest_obconv_writers ........   Passed  1126.45 sec
228: .................
228: ----------------------------------------------------------------------
228: Ran 17 tests in 7.577s
228: 
228: OK
228: 
227/229 Test #228: pybindtest_pcjsonformat ..........   Passed   11.12 sec
224: .........................==============================
224: *** Open Babel Warning  in WriteMolecule
224:   No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.
224: .....==============================
224: *** Open Babel Error  in SMARTSError
224:   SMARTS Error:
224: [#NOEL][#NOEL]
224:   ^
224: 
224: ....
224: ----------------------------------------------------------------------
224: Ran 34 tests in 25.039s
224: 
224: OK
224: 
228/229 Test #224: pybindtest__pybel ................   Passed  1151.64 sec
229/229 Test #229: pybindtest_roundtrip .............***Timeout 1500.14 sec
/<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts/python:/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/lib/arm-linux-gnueabihf


90% tests passed, 23 tests failed out of 229

Total Test time (real) = 18230.29 sec

The following tests FAILED:
	  4 - test_align_4 (Timeout)
	  5 - test_align_5 (Timeout)
	  6 - test_alias_1 (Timeout)
	  7 - test_automorphism_1 (Timeout)
	  8 - test_automorphism_2 (Timeout)
	  9 - test_automorphism_3 (Timeout)
	 10 - test_automorphism_4 (Timeout)
	 11 - test_automorphism_5 (Timeout)
	 12 - test_automorphism_6 (Timeout)
	 13 - test_automorphism_7 (Timeout)
	 17 - test_builder_1 (Timeout)
	 82 - test_regressions_1 (Subprocess aborted)
	 83 - test_regressions_221 (Subprocess aborted)
	 85 - test_regressions_223 (Timeout)
	 86 - test_regressions_224 (Timeout)
	 87 - test_regressions_225 (Timeout)
	149 - test_tautomer_22 (Subprocess aborted)
	154 - test_tautomer_27 (Subprocess aborted)
	213 - inchiSteffen_PubChem.smi_Test (Timeout)
	215 - pytest_sym (Timeout)
	218 - pytest_distgeom (Timeout)
	223 - pybindtest_bindings (Timeout)
	229 - pybindtest_roundtrip (Timeout)
Errors while running CTest
make[2]: *** [Makefile:74: test] Error 8
make[2]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
dh_auto_test: error: cd builddir && make -j4 test ARGS\+=--verbose ARGS\+=-j4 returned exit code 2
make[1]: [debian/rules:57: override_dh_auto_test] Error 25 (ignored)
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   create-stamp debian/debhelper-build-stamp
   dh_testroot -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_prep -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_auto_install -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
	cd builddir && make -j4 install DESTDIR=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/debian/tmp AM_UPDATE_INFO_DIR=no "INSTALL=install --strip-program=true"
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
/usr/bin/cmake -S/<<BUILDDIR>>/openbabel-3.1.1+dfsg -B/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir --check-build-system CMakeFiles/Makefile.cmake 0
/usr/bin/cmake -E cmake_progress_start /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/CMakeFiles /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir//CMakeFiles/progress.marks
make  -f CMakeFiles/Makefile2 all
make[2]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/CMakeFiles/openbabel.dir/build.make src/CMakeFiles/openbabel.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/CMakeFiles/openbabel.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target openbabel
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/CMakeFiles/plugin_fingerprints.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/CMakeFiles/plugin_descriptors.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/smilesformat.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mdlformat.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mol2format.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pdbformat.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/inchiformat.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/molreport.dir/DependInfo.cmake --color=
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[ 23%] Built target copyformat
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/nulformat.dir/DependInfo.cmake --color=
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[ 28%] Built target plugin_ops
make  -f src/formats/CMakeFiles/painterformat.dir/build.make src/formats/CMakeFiles/painterformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/painterformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f src/formats/CMakeFiles/povrayformat.dir/build.make src/formats/CMakeFiles/povrayformat.dir/depend
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/povrayformat.dir/DependInfo.cmake --color=
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make  -f src/formats/CMakeFiles/reportformat.dir/build.make src/formats/CMakeFiles/reportformat.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/reportformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/svgformat.dir/DependInfo.cmake --color=
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/textformat.dir/DependInfo.cmake --color=
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/titleformat.dir/DependInfo.cmake --color=
[ 31%] Built target reportformat
make  -f src/formats/CMakeFiles/confabreport.dir/build.make src/formats/CMakeFiles/confabreport.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/confabreport.dir/DependInfo.cmake --color=
[ 31%] Built target svgformat
make  -f src/formats/CMakeFiles/pngformat.dir/build.make src/formats/CMakeFiles/pngformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pngformat.dir/DependInfo.cmake --color=
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make  -f src/formats/CMakeFiles/acesformat.dir/build.make src/formats/CMakeFiles/acesformat.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/acesformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/abinitformat.dir/DependInfo.cmake --color=
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 33%] Built target pngformat
make  -f src/formats/CMakeFiles/adfformat.dir/build.make src/formats/CMakeFiles/adfformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/adfformat.dir/DependInfo.cmake --color=
[ 34%] Built target confabreport
make  -f src/formats/CMakeFiles/aoforceformat.dir/build.make src/formats/CMakeFiles/aoforceformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/aoforceformat.dir/DependInfo.cmake --color=
[ 34%] Built target acesformat
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make  -f src/formats/CMakeFiles/castepformat.dir/build.make src/formats/CMakeFiles/castepformat.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/castepformat.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/crystal09format.dir/DependInfo.cmake --color=
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 34%] Built target adfformat
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make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/dmolformat.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/daltonformat.dir/DependInfo.cmake --color=
[ 34%] Built target castepformat
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[ 34%] Built target crystal09format
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fchkformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fhiaimsformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target daltonformat
Consolidate compiler generated dependencies of target dmolformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/daltonformat.dir/build.make src/formats/CMakeFiles/daltonformat.dir/build
make  -f src/formats/CMakeFiles/dmolformat.dir/build.make src/formats/CMakeFiles/dmolformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/daltonformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/dmolformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target fchkformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fchkformat.dir/build.make src/formats/CMakeFiles/fchkformat.dir/build
Consolidate compiler generated dependencies of target fhiaimsformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fchkformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fhiaimsformat.dir/build.make src/formats/CMakeFiles/fhiaimsformat.dir/build
[ 36%] Built target dmolformat
[ 36%] Built target daltonformat
make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/depend
make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fhiaimsformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gaussformat.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gamessformat.dir/DependInfo.cmake --color=
[ 36%] Built target fchkformat
make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gausscubeformat.dir/DependInfo.cmake --color=
[ 36%] Built target fhiaimsformat
make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gausszmatformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target gaussformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gaussformat.dir/build.make src/formats/CMakeFiles/gaussformat.dir/build
Consolidate compiler generated dependencies of target gamessformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gamessformat.dir/build.make src/formats/CMakeFiles/gamessformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gaussformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gamessformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target gausscubeformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gausscubeformat.dir/build.make src/formats/CMakeFiles/gausscubeformat.dir/build
Consolidate compiler generated dependencies of target gausszmatformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gausszmatformat.dir/build.make src/formats/CMakeFiles/gausszmatformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gausscubeformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Built target gaussformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gausszmatformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 36%] Built target gamessformat
make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/depend
make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gulpformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/hinformat.dir/DependInfo.cmake --color=
[ 37%] Built target gausscubeformat
make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/depend
[ 38%] Built target gausszmatformat
make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/jaguarformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/molproformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target gulpformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gulpformat.dir/build.make src/formats/CMakeFiles/gulpformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gulpformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target hinformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/hinformat.dir/build.make src/formats/CMakeFiles/hinformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/hinformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target molproformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/molproformat.dir/build.make src/formats/CMakeFiles/molproformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/molproformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 38%] Built target gulpformat
Consolidate compiler generated dependencies of target jaguarformat
make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/depend
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/jaguarformat.dir/build.make src/formats/CMakeFiles/jaguarformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mopacformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/jaguarformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 39%] Built target hinformat
make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/nwchemformat.dir/DependInfo.cmake --color=
[ 40%] Built target molproformat
make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pwscfformat.dir/DependInfo.cmake --color=
[ 41%] Built target jaguarformat
make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/qchemformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target mopacformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mopacformat.dir/build.make src/formats/CMakeFiles/mopacformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mopacformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target nwchemformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/nwchemformat.dir/build.make src/formats/CMakeFiles/nwchemformat.dir/build
Consolidate compiler generated dependencies of target pwscfformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pwscfformat.dir/build.make src/formats/CMakeFiles/pwscfformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/nwchemformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pwscfformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target qchemformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/qchemformat.dir/build.make src/formats/CMakeFiles/qchemformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/qchemformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 42%] Built target mopacformat
make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/siestaformat.dir/DependInfo.cmake --color=
[ 42%] Built target nwchemformat
make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/turbomoleformat.dir/DependInfo.cmake --color=
[ 42%] Built target pwscfformat
make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/vaspformat.dir/DependInfo.cmake --color=
[ 43%] Built target qchemformat
make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xsfformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target siestaformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/siestaformat.dir/build.make src/formats/CMakeFiles/siestaformat.dir/build
Consolidate compiler generated dependencies of target turbomoleformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/turbomoleformat.dir/build.make src/formats/CMakeFiles/turbomoleformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/siestaformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/turbomoleformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target vaspformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/vaspformat.dir/build.make src/formats/CMakeFiles/vaspformat.dir/build
Consolidate compiler generated dependencies of target xsfformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xsfformat.dir/build.make src/formats/CMakeFiles/xsfformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/vaspformat.dir/build'.
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/xsfformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 44%] Built target siestaformat
make  -f src/formats/CMakeFiles/zindoformat.dir/build.make src/formats/CMakeFiles/zindoformat.dir/depend
[ 44%] Built target turbomoleformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/zindoformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/maeformat.dir/build.make src/formats/CMakeFiles/maeformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/maeformat.dir/DependInfo.cmake --color=
[ 44%] Built target vaspformat
make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gamessukformat.dir/DependInfo.cmake --color=
[ 44%] Built target xsfformat
make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/orcaformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target zindoformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/zindoformat.dir/build'.
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Consolidate compiler generated dependencies of target maeformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target gamessukformat
make  -f src/formats/CMakeFiles/maeformat.dir/build.make src/formats/CMakeFiles/maeformat.dir/build
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gamessukformat.dir/build.make src/formats/CMakeFiles/gamessukformat.dir/build
Consolidate compiler generated dependencies of target orcaformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/orcaformat.dir/build.make src/formats/CMakeFiles/orcaformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 45%] Built target zindoformat
make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/APIInterface.dir/DependInfo.cmake --color=
[ 46%] Built target orcaformat
[ 46%] Built target gamessukformat
make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/depend
make  -f src/formats/CMakeFiles/PQSformat.dir/build.make src/formats/CMakeFiles/PQSformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/CSRformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/PQSformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 46%] Built target maeformat
Consolidate compiler generated dependencies of target APIInterface
make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/depend
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/APIInterface.dir/build.make src/formats/CMakeFiles/APIInterface.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/MCDLformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target PQSformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target CSRformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/CSRformat.dir/build.make src/formats/CMakeFiles/CSRformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 46%] Built target APIInterface
make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/alchemyformat.dir/DependInfo.cmake --color=
[ 47%] Built target PQSformat
make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/acrformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target MCDLformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/MCDLformat.dir/build.make src/formats/CMakeFiles/MCDLformat.dir/build
[ 47%] Built target CSRformat
make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/MCDLformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/amberformat.dir/DependInfo.cmake --color=
[ 48%] Built target MCDLformat
make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/balstformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target alchemyformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/alchemyformat.dir/build.make src/formats/CMakeFiles/alchemyformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/alchemyformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 49%] Built target alchemyformat
make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/bgfformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target acrformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/acrformat.dir/build.make src/formats/CMakeFiles/acrformat.dir/build
Consolidate compiler generated dependencies of target amberformat
Consolidate compiler generated dependencies of target balstformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/acrformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/balstformat.dir/build.make src/formats/CMakeFiles/balstformat.dir/build
make  -f src/formats/CMakeFiles/amberformat.dir/build.make src/formats/CMakeFiles/amberformat.dir/build
Consolidate compiler generated dependencies of target bgfformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/balstformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/amberformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/bgfformat.dir/build.make src/formats/CMakeFiles/bgfformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/bgfformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 50%] Built target acrformat
make  -f src/formats/CMakeFiles/boxformat.dir/build.make src/formats/CMakeFiles/boxformat.dir/depend
[ 50%] Built target amberformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/boxformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/cacaoformat.dir/build.make src/formats/CMakeFiles/cacaoformat.dir/depend
[ 50%] Built target balstformat
make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cacaoformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cacheformat.dir/DependInfo.cmake --color=
[ 51%] Built target bgfformat
make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/carformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target boxformat
Consolidate compiler generated dependencies of target cacaoformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target cacheformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/boxformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cacheformat.dir/build.make src/formats/CMakeFiles/cacheformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cacaoformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cacheformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target carformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/carformat.dir/build.make src/formats/CMakeFiles/carformat.dir/build
[ 51%] Built target boxformat
make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/depend
[ 52%] Built target cacaoformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cccformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/carformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chem3dformat.dir/DependInfo.cmake --color=
[ 52%] Built target cacheformat
make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawct.dir/DependInfo.cmake --color=
[ 53%] Built target carformat
make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemtoolformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target chem3dformat
Consolidate compiler generated dependencies of target cccformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chem3dformat.dir/build.make src/formats/CMakeFiles/chem3dformat.dir/build
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cccformat.dir/build.make src/formats/CMakeFiles/cccformat.dir/build
Consolidate compiler generated dependencies of target chemdrawct
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chem3dformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemdrawct.dir/build.make src/formats/CMakeFiles/chemdrawct.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cccformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawct.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target chemtoolformat
[ 53%] Built target chem3dformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemtoolformat.dir/build.make src/formats/CMakeFiles/chemtoolformat.dir/build
make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cifformat.dir/DependInfo.cmake --color=
[ 53%] Built target cccformat
make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemtoolformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cofformat.dir/DependInfo.cmake --color=
[ 54%] Built target chemdrawct
make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/crkformat.dir/DependInfo.cmake --color=
[ 54%] Built target chemtoolformat
make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cssrformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target cifformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cifformat.dir/build.make src/formats/CMakeFiles/cifformat.dir/build
Consolidate compiler generated dependencies of target cofformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cofformat.dir/build.make src/formats/CMakeFiles/cofformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cifformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target crkformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/crkformat.dir/build.make src/formats/CMakeFiles/crkformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cofformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/crkformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 55%] Built target cifformat
make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/dlpolyformat.dir/DependInfo.cmake --color=
[ 55%] Built target cofformat
make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/depend
Consolidate compiler generated dependencies of target cssrformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/exyzformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cssrformat.dir/build.make src/formats/CMakeFiles/cssrformat.dir/build
[ 56%] Built target crkformat
make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fastsearchformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/cssrformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 56%] Built target cssrformat
make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target dlpolyformat
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fastaformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/dlpolyformat.dir/build.make src/formats/CMakeFiles/dlpolyformat.dir/build
Consolidate compiler generated dependencies of target exyzformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/exyzformat.dir/build.make src/formats/CMakeFiles/exyzformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/dlpolyformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target fastsearchformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fastsearchformat.dir/build.make src/formats/CMakeFiles/fastsearchformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/exyzformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fastsearchformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 56%] Built target dlpolyformat
make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/featformat.dir/DependInfo.cmake --color=
[ 57%] Built target fastsearchformat
Consolidate compiler generated dependencies of target fastaformat
make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/depend
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fastaformat.dir/build.make src/formats/CMakeFiles/fastaformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fhformat.dir/DependInfo.cmake --color=
[ 57%] Built target exyzformat
make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fingerprintformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fastaformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target featformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/featformat.dir/build.make src/formats/CMakeFiles/featformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/featformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target fhformat
[ 57%] Built target fastaformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fhformat.dir/build.make src/formats/CMakeFiles/fhformat.dir/build
make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/fpsformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target fingerprintformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fhformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fingerprintformat.dir/build.make src/formats/CMakeFiles/fingerprintformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fingerprintformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 58%] Built target featformat
make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/freefracformat.dir/DependInfo.cmake --color=
[ 58%] Built target fhformat
make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 59%] Built target fingerprintformat
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/ghemicalformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/depend
Consolidate compiler generated dependencies of target fpsformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/gromos96format.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/fpsformat.dir/build.make src/formats/CMakeFiles/fpsformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/fpsformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target freefracformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/freefracformat.dir/build.make src/formats/CMakeFiles/freefracformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/freefracformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 59%] Built target fpsformat
Consolidate compiler generated dependencies of target ghemicalformat
make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/depend
Consolidate compiler generated dependencies of target gromos96format
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/ghemicalformat.dir/build.make src/formats/CMakeFiles/ghemicalformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/gromos96format.dir/build.make src/formats/CMakeFiles/gromos96format.dir/build
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/groformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/ghemicalformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/gromos96format.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 60%] Built target freefracformat
make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/lmpdatformat.dir/DependInfo.cmake --color=
[ 61%] Built target gromos96format
[ 61%] Built target ghemicalformat
make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/depend
make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/lpmdformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mdffformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target groformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/groformat.dir/build.make src/formats/CMakeFiles/groformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/groformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target lmpdatformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/lmpdatformat.dir/build.make src/formats/CMakeFiles/lmpdatformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/lmpdatformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target lpmdformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/lpmdformat.dir/build.make src/formats/CMakeFiles/lpmdformat.dir/build
[ 61%] Built target groformat
make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/depend
Consolidate compiler generated dependencies of target mdffformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mmcifformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/lpmdformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mdffformat.dir/build.make src/formats/CMakeFiles/mdffformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mdffformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 61%] Built target lmpdatformat
make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mmodformat.dir/DependInfo.cmake --color=
[ 62%] Built target lpmdformat
make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/moldenformat.dir/DependInfo.cmake --color=
[ 62%] Built target mdffformat
make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mpdformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target mmcifformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mmcifformat.dir/build.make src/formats/CMakeFiles/mmcifformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmcifformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target mmodformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mmodformat.dir/build.make src/formats/CMakeFiles/mmodformat.dir/build
Consolidate compiler generated dependencies of target moldenformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/moldenformat.dir/build.make src/formats/CMakeFiles/moldenformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mmodformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 62%] Built target mmcifformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/moldenformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/depend
Consolidate compiler generated dependencies of target mpdformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/mpqcformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mpdformat.dir/build.make src/formats/CMakeFiles/mpdformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mpdformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 63%] Built target mmodformat
make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/depend
[ 63%] Built target moldenformat
make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/msiformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/msmsformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target mpqcformat
[ 63%] Built target mpdformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/mpqcformat.dir/build.make src/formats/CMakeFiles/mpqcformat.dir/build
make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/opendxformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/mpqcformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target msiformat
Consolidate compiler generated dependencies of target msmsformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/msiformat.dir/build.make src/formats/CMakeFiles/msiformat.dir/build
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/msmsformat.dir/build.make src/formats/CMakeFiles/msmsformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/msiformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/msmsformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 63%] Built target mpqcformat
make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/outformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target opendxformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/opendxformat.dir/build.make src/formats/CMakeFiles/opendxformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/opendxformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target msiformat
make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pcmodelformat.dir/DependInfo.cmake --color=
[ 64%] Built target msmsformat
make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pdbqtformat.dir/DependInfo.cmake --color=
[ 64%] Built target opendxformat
make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/depend
Consolidate compiler generated dependencies of target outformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pointcloudformat.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/outformat.dir/build.make src/formats/CMakeFiles/outformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/outformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target pcmodelformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pcmodelformat.dir/build.make src/formats/CMakeFiles/pcmodelformat.dir/build
Consolidate compiler generated dependencies of target pdbqtformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pdbqtformat.dir/build.make src/formats/CMakeFiles/pdbqtformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pcmodelformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pdbqtformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target outformat
make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/posformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target pointcloudformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pointcloudformat.dir/build.make src/formats/CMakeFiles/pointcloudformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pointcloudformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 64%] Built target pcmodelformat
make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/depend
[ 64%] Built target pdbqtformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pqrformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/shelxformat.dir/DependInfo.cmake --color=
[ 65%] Built target pointcloudformat
make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/smileyformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target posformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/posformat.dir/build.make src/formats/CMakeFiles/posformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/posformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target shelxformat
Consolidate compiler generated dependencies of target pqrformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/shelxformat.dir/build.make src/formats/CMakeFiles/shelxformat.dir/build
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/pqrformat.dir/build.make src/formats/CMakeFiles/pqrformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/shelxformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/pqrformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target smileyformat
[ 65%] Built target posformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/depend
make  -f src/formats/CMakeFiles/smileyformat.dir/build.make src/formats/CMakeFiles/smileyformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/stlformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/smileyformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 65%] Built target pqrformat
[ 65%] Built target shelxformat
make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/depend
make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/thermoformat.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/tinkerformat.dir/DependInfo.cmake --color=
[ 65%] Built target smileyformat
make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/unichemformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target stlformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/stlformat.dir/build.make src/formats/CMakeFiles/stlformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/stlformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target thermoformat
Consolidate compiler generated dependencies of target tinkerformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/thermoformat.dir/build.make src/formats/CMakeFiles/thermoformat.dir/build
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/tinkerformat.dir/build.make src/formats/CMakeFiles/tinkerformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/thermoformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/tinkerformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Built target stlformat
make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/viewmolformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target unichemformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/unichemformat.dir/build.make src/formats/CMakeFiles/unichemformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/unichemformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 66%] Built target tinkerformat
make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/depend
[ 66%] Built target thermoformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/wlnformat.dir/DependInfo.cmake --color=
make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xedformat.dir/DependInfo.cmake --color=
[ 67%] Built target unichemformat
Consolidate compiler generated dependencies of target viewmolformat
make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/depend
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/viewmolformat.dir/build.make src/formats/CMakeFiles/viewmolformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xyzformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/viewmolformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target xedformat
[ 67%] Built target viewmolformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xedformat.dir/build.make src/formats/CMakeFiles/xedformat.dir/build
make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/yasaraformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target xyzformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/xedformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/xyzformat.dir/build.make src/formats/CMakeFiles/xyzformat.dir/build
Consolidate compiler generated dependencies of target wlnformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/wlnformat.dir/build.make src/formats/CMakeFiles/wlnformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/xyzformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/wlnformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 67%] Built target xedformat
make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rxnformat.dir/DependInfo.cmake --color=
[ 68%] Built target xyzformat
make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/depend
Consolidate compiler generated dependencies of target yasaraformat
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 69%] Built target wlnformat
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdrawcdx.dir/DependInfo.cmake --color=
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/yasaraformat.dir/build.make src/formats/CMakeFiles/yasaraformat.dir/build
make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemkinformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/yasaraformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target rxnformat
[ 69%] Built target yasaraformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/rxnformat.dir/build.make src/formats/CMakeFiles/rxnformat.dir/build
make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rinchiformat.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/rxnformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
Consolidate compiler generated dependencies of target chemdrawcdx
Consolidate compiler generated dependencies of target chemkinformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/chemdrawcdx.dir/build.make src/formats/CMakeFiles/chemdrawcdx.dir/build
make  -f src/formats/CMakeFiles/chemkinformat.dir/build.make src/formats/CMakeFiles/chemkinformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemkinformat.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Nothing to be done for 'src/formats/CMakeFiles/chemdrawcdx.dir/build'.
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 70%] Built target rxnformat
make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/rsmiformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target rinchiformat
[ 70%] Built target chemkinformat
[ 70%] Built target chemdrawcdx
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/rinchiformat.dir/build.make src/formats/CMakeFiles/rinchiformat.dir/build
make  -f src/formats/CMakeFiles/png2format.dir/build.make src/formats/CMakeFiles/png2format.dir/depend
make  -f src/formats/CMakeFiles/cdxmlformat.dir/build.make src/formats/CMakeFiles/cdxmlformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cdxmlformat.dir/DependInfo.cmake --color=
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/png2format.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target rsmiformat
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make  -f src/formats/CMakeFiles/rsmiformat.dir/build.make src/formats/CMakeFiles/rsmiformat.dir/build
[ 71%] Built target rinchiformat
make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cmlformat.dir/DependInfo.cmake --color=
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 71%] Built target rsmiformat
make  -f src/formats/CMakeFiles/pubchem.dir/build.make src/formats/CMakeFiles/pubchem.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pubchem.dir/DependInfo.cmake --color=
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Consolidate compiler generated dependencies of target cmlformat
[ 72%] Built target png2format
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
make  -f src/formats/CMakeFiles/cmlformat.dir/build.make src/formats/CMakeFiles/cmlformat.dir/build
make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/xmlformat.dir/DependInfo.cmake --color=
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[ 73%] Built target cdxmlformat
make  -f src/formats/CMakeFiles/cmlreactformat.dir/build.make src/formats/CMakeFiles/cmlreactformat.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/cmlreactformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target pubchem
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[ 73%] Built target cmlformat
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/chemdoodlejsonformat.dir/DependInfo.cmake --color=
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[ 74%] Built target pubchem
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make  -f src/formats/CMakeFiles/xmlformat.dir/build.make src/formats/CMakeFiles/xmlformat.dir/build
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/formats/CMakeFiles/pubchemjsonformat.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target cmlreactformat
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target chemdoodlejsonformat
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[ 75%] Built target cmlreactformat
make  -f tools/CMakeFiles/obabel.dir/build.make tools/CMakeFiles/obabel.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obabel.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target pubchemjsonformat
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 76%] Built target xmlformat
make  -f tools/CMakeFiles/obconformer.dir/build.make tools/CMakeFiles/obconformer.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obconformer.dir/DependInfo.cmake --color=
[ 77%] Built target chemdoodlejsonformat
make  -f tools/CMakeFiles/obenergy.dir/build.make tools/CMakeFiles/obenergy.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obenergy.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target obabel
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f tools/CMakeFiles/obfit.dir/build.make tools/CMakeFiles/obfit.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obfit.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target obconformer
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 77%] Built target obabel
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obfitall.dir/DependInfo.cmake --color=
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make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
[ 78%] Built target obconformer
make  -f tools/CMakeFiles/obgen.dir/build.make tools/CMakeFiles/obgen.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obgen.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target obfit
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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make  -f tools/CMakeFiles/obminimize.dir/build.make tools/CMakeFiles/obminimize.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obminimize.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target obfitall
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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Consolidate compiler generated dependencies of target obgen
make[3]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
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[ 79%] Built target obfit
make  -f tools/CMakeFiles/obmm.dir/build.make tools/CMakeFiles/obmm.dir/depend
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obmm.dir/DependInfo.cmake --color=
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[ 79%] Built target obfitall
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obprobe.dir/DependInfo.cmake --color=
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[ 80%] Built target obgen
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obprop.dir/DependInfo.cmake --color=
Consolidate compiler generated dependencies of target obmm
[ 80%] Built target obminimize
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obrotamer.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obrotate.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obsym.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obtautomer.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obthermo.dir/DependInfo.cmake --color=
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obdistgen.dir/DependInfo.cmake --color=
[ 84%] Built target obsym
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obgrep.dir/DependInfo.cmake --color=
[ 84%] Built target obtautomer
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obspectrophore.dir/DependInfo.cmake --color=
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/tools/CMakeFiles/obrms.dir/DependInfo.cmake --color=
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[ 84%] Built target obgrep
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/src/GUI /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/src/GUI/CMakeFiles/obgui.dir/DependInfo.cmake --color=
[ 84%] Built target obdistgen
[ 84%] Built target obspectrophore
make  -f test/CMakeFiles/test_runner.dir/build.make test/CMakeFiles/test_runner.dir/depend
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/test_inchiwrite.dir/DependInfo.cmake --color=
make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/test_runner.dir/DependInfo.cmake --color=
[ 84%] Built target obrms
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cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/test/CMakeFiles/roundtrip.dir/DependInfo.cmake --color=
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[ 85%] Built target test_inchiwrite
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts/CMakeFiles/bindings_python.dir/DependInfo.cmake --color=
[ 85%] Built target roundtrip
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make[3]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
cd /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir && /usr/bin/cmake -E cmake_depends "Unix Makefiles" /<<BUILDDIR>>/openbabel-3.1.1+dfsg /<<BUILDDIR>>/openbabel-3.1.1+dfsg/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts /<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir/scripts/CMakeFiles/bindings_perl.dir/DependInfo.cmake --color=
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[ 86%] Built target obgui
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[ 87%] Built target bindings_python
[ 87%] Built target bindings_perl
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Install the project...
/usr/bin/cmake -P cmake_install.cmake
-- Install configuration: "None"
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/babelconfig.h
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/pkgconfig/openbabel-3.pc
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/cmake/openbabel3/OpenBabel3_EXPORTS-none.cmake
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/cmake/openbabel3/OpenBabel3Config.cmake
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/cmake/openbabel3/OpenBabel3ConfigVersion.cmake
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/chemdrawcdx.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/base.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/bondtyper.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/descriptor.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/format.h
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/generic.h
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/graphsym.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/painter.h
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/include/openbabel3/openbabel/depict/svgpainter.h
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/share/openbabel/3.1.1/atomization-energies.txt
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-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/titleformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/confabreport.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pngformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/acesformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/abinitformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/adfformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/aoforceformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/castepformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/crystal09format.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/daltonformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/dmolformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fchkformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fhiaimsformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gamessformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gaussformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gausscubeformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gausszmatformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gulpformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/hinformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/jaguarformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/molproformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mopacformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/nwchemformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pwscfformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/qchemformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/siestaformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/turbomoleformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/vaspformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/xsfformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/zindoformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/maeformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gamessukformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/orcaformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/APIInterface.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/CSRformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/PQSformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/MCDLformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/alchemyformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/acrformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/amberformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/balstformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/bgfformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/boxformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cacaoformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cacheformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/carformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cccformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chem3dformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chemdrawct.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chemtoolformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cifformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cofformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/crkformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cssrformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/dlpolyformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/exyzformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fastsearchformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fastaformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/featformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fhformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fingerprintformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/fpsformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/freefracformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/ghemicalformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/gromos96format.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/groformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/lmpdatformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/lpmdformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mdffformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mmcifformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mmodformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/moldenformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mpdformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/mpqcformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/msiformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/msmsformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/opendxformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/outformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pcmodelformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pdbqtformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pointcloudformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/posformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pqrformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/shelxformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/smileyformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/stlformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/thermoformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/tinkerformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/unichemformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/viewmolformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/wlnformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/xedformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/xyzformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/yasaraformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/rxnformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chemdrawcdx.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chemkinformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/rinchiformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/rsmiformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/png2format.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cdxmlformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cmlformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pubchem.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/xmlformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/cmlreactformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/chemdoodlejsonformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/openbabel/3.1.1/pubchemjsonformat.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obabel
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obconformer
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obenergy
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obfit
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obfitall
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obgen
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obminimize
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obmm
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obprobe
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obprop
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obrotamer
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obrotate
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obsym
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obtautomer
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obthermo
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obdistgen
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obgrep
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obspectrophore
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obrms
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/obgui
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/bin/roundtrip
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/python3.9/dist-packages/openbabel/_openbabel.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/python3.9/dist-packages/openbabel/__init__.py
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/python3.9/dist-packages/openbabel/openbabel.py
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/python3.9/dist-packages/openbabel/pybel.py
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/auto/Chemistry/OpenBabel/OpenBabel.so
-- Installing: /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp/usr/lib/arm-linux-gnueabihf/Chemistry/OpenBabel.pm
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg/builddir'
   debian/rules override_dh_install
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_install -Nlibchemistry-openbabel-perl
dh_missing --list-missing -Nlibchemistry-openbabel-perl
dh_missing: warning: usr/bin/roundtrip exists in debian/tmp but is not installed to anywhere 
dh_missing: warning: usr/lib/arm-linux-gnueabihf/Chemistry/OpenBabel.pm exists in debian/tmp but is not installed to anywhere 
dh_missing: warning: usr/lib/arm-linux-gnueabihf/auto/Chemistry/OpenBabel/OpenBabel.so exists in debian/tmp but is not installed to anywhere 
dh_missing: warning: usr/share/man/man1/roundtrip.1 exists in debian/tmp but is not installed to anywhere 
	The following debhelper tools have reported what they installed (with files per package)
	 * dh_install: libchemistry-openbabel-perl (0), libopenbabel-dev (4), libopenbabel-doc (0), libopenbabel7 (130), openbabel (38), openbabel-gui (2), python3-openbabel (1)
	If the missing files are installed by another tool, please file a bug against it.
	When filing the report, if the tool is not part of debhelper itself, please reference the
	"Logging helpers and dh_missing" section from the "PROGRAMMING" guide for debhelper (10.6.3+).
	  (in the debhelper package: /usr/share/doc/debhelper/PROGRAMMING.gz)
	Be sure to test with dpkg-buildpackage -A/-B as the results may vary when only a subset is built
	If the omission is intentional or no other helper can take care of this consider adding the
	paths to debian/not-installed.

	Remember to be careful with paths containing "arm-linux-gnueabihf", where you might need to
	use a wildcard or (assuming compat 13+) e.g. ${DEB_HOST_MULTIARCH} in debian/not-installed
	to ensure it works on all architectures (see #961104).
mkdir -p /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp//usr/lib/arm-linux-gnueabihf/perl5/5.34
mv debian/tmp/usr/lib/arm-linux-gnueabihf/auto debian/tmp/usr/lib/arm-linux-gnueabihf/Chemistry \
  /<<BUILDDIR>>/openbabel-3.1.1+dfsg/debian/tmp//usr/lib/arm-linux-gnueabihf/perl5/5.34
dh_install -plibchemistry-openbabel-perl -Xperllocal.pod --autodest /usr/lib/arm-linux-gnueabihf/perl5/5.34
dh_missing --list-missing -plibchemistry-openbabel-perl -Xperllocal.pod
dh_missing: warning: usr/bin/roundtrip exists in debian/tmp but is not installed to anywhere 
dh_missing: warning: usr/share/man/man1/roundtrip.1 exists in debian/tmp but is not installed to anywhere 
	The following debhelper tools have reported what they installed (with files per package)
	 * dh_install: libchemistry-openbabel-perl (1), libopenbabel-dev (4), libopenbabel-doc (0), libopenbabel7 (130), openbabel (38), openbabel-gui (2), python3-openbabel (1)
	If the missing files are installed by another tool, please file a bug against it.
	When filing the report, if the tool is not part of debhelper itself, please reference the
	"Logging helpers and dh_missing" section from the "PROGRAMMING" guide for debhelper (10.6.3+).
	  (in the debhelper package: /usr/share/doc/debhelper/PROGRAMMING.gz)
	Be sure to test with dpkg-buildpackage -A/-B as the results may vary when only a subset is built
	If the omission is intentional or no other helper can take care of this consider adding the
	paths to debian/not-installed.
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   debian/rules override_dh_installdocs
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_installdocs -X.js
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   dh_installchangelogs -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   debian/rules override_dh_installexamples
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_installexamples -X.pyc
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   dh_installman -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_python3 -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
I: dh_python3 fs:464: renaming _openbabel.so to _openbabel.cpython-39-arm-linux-gnueabihf.so
   dh_installinit -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_installsystemduser -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_perl -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_link -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_strip_nondeterminism -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   debian/rules override_dh_compress
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_compress -Xusr/share/doc/libopenbabel-dev/html/ \
            -Xusr/share/doc/python3-openbabel/examples
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   dh_fixperms -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_missing -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
dh_missing: warning: usr/bin/roundtrip exists in debian/tmp but is not installed to anywhere 
dh_missing: warning: usr/share/man/man1/roundtrip.1 exists in debian/tmp but is not installed to anywhere 
	The following debhelper tools have reported what they installed (with files per package)
	 * dh_install: libchemistry-openbabel-perl (1), libopenbabel-dev (4), libopenbabel-doc (0), libopenbabel7 (130), openbabel (38), openbabel-gui (2), python3-openbabel (1)
	 * dh_installdocs: libchemistry-openbabel-perl (0), libopenbabel-dev (0), libopenbabel-doc (1), libopenbabel7 (0), openbabel (3), openbabel-gui (0), python3-openbabel (2)
	 * dh_installexamples: libchemistry-openbabel-perl (0), libopenbabel-dev (0), libopenbabel-doc (0), libopenbabel7 (0), openbabel (1), openbabel-gui (0), python3-openbabel (10)
	 * dh_installman: libchemistry-openbabel-perl (0), libopenbabel-dev (0), libopenbabel-doc (0), libopenbabel7 (0), openbabel (0), openbabel-gui (0), python3-openbabel (0)
	If the missing files are installed by another tool, please file a bug against it.
	When filing the report, if the tool is not part of debhelper itself, please reference the
	"Logging helpers and dh_missing" section from the "PROGRAMMING" guide for debhelper (10.6.3+).
	  (in the debhelper package: /usr/share/doc/debhelper/PROGRAMMING.gz)
	Be sure to test with dpkg-buildpackage -A/-B as the results may vary when only a subset is built
	If the omission is intentional or no other helper can take care of this consider adding the
	paths to debian/not-installed.
   dh_dwz -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   debian/rules override_dh_strip
make[1]: Entering directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
dh_strip --dbgsym-migration='openbabel-dbg (<< 3.0.0+dfsg)'
make[1]: Leaving directory '/<<BUILDDIR>>/openbabel-3.1.1+dfsg'
   dh_makeshlibs -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_shlibdeps -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obdistgen contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obrms contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obminimize contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obenergy contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obspectrophore contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obtautomer contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obprobe contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obfit contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obmm contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obrotamer contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obgen contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obrotate contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obabel contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obthermo contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obgrep contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obfitall contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obsym contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obprop contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: debian/openbabel/usr/bin/obconformer contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
dpkg-shlibdeps: warning: symbol __aeabi_atexit@CXXABI_ARM_1.3.3 used by debian/libopenbabel7/usr/lib/arm-linux-gnueabihf/libopenbabel.so.7.0.0 found in none of the libraries
dpkg-shlibdeps: warning: debian/openbabel-gui/usr/bin/obgui contains an unresolvable reference to symbol __aeabi_atexit@GLIBC_2.4: it's probably a plugin
   dh_installdeb -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_gencontrol -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
dpkg-gencontrol: warning: package python3-openbabel: substitution variable ${python3:Versions} unused, but is defined
dpkg-gencontrol: warning: package python3-openbabel: substitution variable ${python3:Versions} unused, but is defined
   dh_md5sums -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
   dh_builddeb -a -O--builddirectory=/<<BUILDDIR>>/openbabel-3.1.1\+dfsg/builddir
dpkg-deb: building package 'openbabel-gui-dbgsym' in '../openbabel-gui-dbgsym_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'libchemistry-openbabel-perl' in '../libchemistry-openbabel-perl_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'openbabel' in '../openbabel_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'libopenbabel7-dbgsym' in '../libopenbabel7-dbgsym_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'openbabel-dbgsym' in '../openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'libopenbabel-dev' in '../libopenbabel-dev_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'openbabel-gui' in '../openbabel-gui_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'libopenbabel7' in '../libopenbabel7_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'libchemistry-openbabel-perl-dbgsym' in '../libchemistry-openbabel-perl-dbgsym_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'python3-openbabel' in '../python3-openbabel_3.1.1+dfsg-6+b1_armhf.deb'.
dpkg-deb: building package 'python3-openbabel-dbgsym' in '../python3-openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb'.
 dpkg-genbuildinfo --build=any -O../openbabel_3.1.1+dfsg-6+b1_armhf.buildinfo
 dpkg-genchanges --build=any -mRaspbian wandboard test autobuilder <root@raspbian.org> -O../openbabel_3.1.1+dfsg-6+b1_armhf.changes
dpkg-genchanges: info: binary-only arch-specific upload (source code and arch-indep packages not included)
 dpkg-source --after-build .
dpkg-buildpackage: info: binary-only upload (no source included)
--------------------------------------------------------------------------------
Build finished at 2022-02-13T23:46:52Z

Finished
--------

I: Built successfully

+------------------------------------------------------------------------------+
| Post Build Chroot                                                            |
+------------------------------------------------------------------------------+


+------------------------------------------------------------------------------+
| Changes                                                                      |
+------------------------------------------------------------------------------+


openbabel_3.1.1+dfsg-6+b1_armhf.changes:
----------------------------------------

Format: 1.8
Date: Thu, 10 Jun 2021 07:27:50 +0300
Source: openbabel (3.1.1+dfsg-6)
Binary: libchemistry-openbabel-perl libchemistry-openbabel-perl-dbgsym libopenbabel-dev libopenbabel7 libopenbabel7-dbgsym openbabel openbabel-dbgsym openbabel-gui openbabel-gui-dbgsym python3-openbabel python3-openbabel-dbgsym
Binary-Only: yes
Architecture: armhf
Version: 3.1.1+dfsg-6+b1
Distribution: bookworm-staging
Urgency: low
Maintainer: Raspbian wandboard test autobuilder <root@raspbian.org>
Changed-By: Raspbian wandboard test autobuilder <root@raspbian.org>
Description:
 libchemistry-openbabel-perl - Chemical toolbox library (perl bindings)
 libopenbabel-dev - Chemical toolbox library (development files)
 libopenbabel7 - Chemical toolbox library
 openbabel  - Chemical toolbox utilities (cli)
 openbabel-gui - Chemical toolbox utilities (graphical user interface)
 python3-openbabel - Chemical toolbox library (Python bindings)
Changes:
 openbabel (3.1.1+dfsg-6+b1) bookworm-staging; urgency=low, binary-only=yes
 .
   * Binary-only non-maintainer upload for armhf; no source changes.
   * rebuild due to debcheck failure
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 72e0f923643a174a8b6590283353b775e6a970cc 187448 libopenbabel-dev_3.1.1+dfsg-6+b1_armhf.deb
 d40d4008e4edbe0b39e1edf7eca0c82d48e1ff4a 39666692 libopenbabel7-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
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 09df1e0246adc14cb12bff34debf0f74d974d87e 22922 openbabel_3.1.1+dfsg-6+b1_armhf.buildinfo
 c46062ec17715c04739318523952e7b4c29d1700 128652 openbabel_3.1.1+dfsg-6+b1_armhf.deb
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 d7ab722e4929209fcfe644511580c99cc78eab57b59f48fa1d72a18c6026d3cb 617596 libchemistry-openbabel-perl_3.1.1+dfsg-6+b1_armhf.deb
 8cdbbfe2449f9e3bc1e9e9a2adb1dafae6418f1a1e67e252e09e27f3e23a7572 187448 libopenbabel-dev_3.1.1+dfsg-6+b1_armhf.deb
 5fb888a4556ab888123ba7f905b53ec7a6dc6180f08f0ba561d8b336ed495eb8 39666692 libopenbabel7-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 357bd5a363edb2ad1594ce1db9f4309a905163a5114cae5cf8e2158813d9330f 2750524 libopenbabel7_3.1.1+dfsg-6+b1_armhf.deb
 9ee34635381117b0c9182bc276444a275ee58d27b4eaa49dba1e18fc3d7e5e84 847728 openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 e1692f24046f5ca471f4fee8eb850162ec1e4a3296f0433e0df0db1191ef4acf 750848 openbabel-gui-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 52899837fba4db4c8a5dc6560895a0e1e9c4549a221c0172a1bc0a2f279d3ff8 86912 openbabel-gui_3.1.1+dfsg-6+b1_armhf.deb
 2f8f8f9f48a2257897c37a302f0ca0fb534d9e21b0eb83b51b91eb830bb63396 22922 openbabel_3.1.1+dfsg-6+b1_armhf.buildinfo
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 5f2753fdde7b6f6dc50d632ed66ef03b 5445892 debug optional libchemistry-openbabel-perl-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 d26ccf7b33b52c21c77ef9e2491f87ee 617596 perl optional libchemistry-openbabel-perl_3.1.1+dfsg-6+b1_armhf.deb
 68c03a250414db664aa59933d8023f4f 187448 libdevel optional libopenbabel-dev_3.1.1+dfsg-6+b1_armhf.deb
 4b0f284705985546229568fccd725a97 39666692 debug optional libopenbabel7-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 c6004f0ffbaa38d18321030e1108279f 2750524 libs optional libopenbabel7_3.1.1+dfsg-6+b1_armhf.deb
 b94565166ff612624fbdc8b322f0e733 847728 debug optional openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 7a85ad1b3f03abb45128db298deac59f 750848 debug optional openbabel-gui-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
 6e1db5dd93d36b256249ec1b2f09cd6d 86912 science optional openbabel-gui_3.1.1+dfsg-6+b1_armhf.deb
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 3a9cfe618c27e087366e4f5d2641b1af 496972 python optional python3-openbabel_3.1.1+dfsg-6+b1_armhf.deb

+------------------------------------------------------------------------------+
| Package contents                                                             |
+------------------------------------------------------------------------------+


libchemistry-openbabel-perl-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
------------------------------------------------------------

 new Debian package, version 2.0.
 size 5445892 bytes: control archive=588 bytes.
     524 bytes,    14 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: libchemistry-openbabel-perl-dbgsym
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 5742
 Depends: libchemistry-openbabel-perl (= 3.1.1+dfsg-6+b1)
 Breaks: openbabel-dbg (<< 3.0.0+dfsg)
 Replaces: openbabel-dbg (<< 3.0.0+dfsg)
 Section: debug
 Priority: optional
 Description: debug symbols for libchemistry-openbabel-perl
 Build-Ids: 8fa735bb30c77848c782c3f3495300a3e1fd0451

drwxr-xr-x root/root         0 2021-06-10 04:27 ./
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.build-id/8f/
-rw-r--r-- root/root   5868564 2021-06-10 04:27 ./usr/lib/debug/.build-id/8f/a735bb30c77848c782c3f3495300a3e1fd0451.debug
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
lrwxrwxrwx root/root         0 2021-06-10 04:27 ./usr/share/doc/libchemistry-openbabel-perl-dbgsym -> libchemistry-openbabel-perl


libchemistry-openbabel-perl_3.1.1+dfsg-6+b1_armhf.deb
-----------------------------------------------------

 new Debian package, version 2.0.
 size 617596 bytes: control archive=1204 bytes.
    1276 bytes,    27 lines      control              
     491 bytes,     5 lines      md5sums              
 Package: libchemistry-openbabel-perl
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 3815
 Depends: perl, perlapi-5.34.0, libc6 (>= 2.4), libgcc-s1 (>= 3.5), libopenbabel7 (>= 3.1.1+dfsg), libperl5.34 (>= 5.34.0), libstdc++6 (>= 5.2)
 Section: perl
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox library (perl bindings)
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package contains Chemistry::Openbabel, the Perl binding for Open Babel.

drwxr-xr-x root/root         0 2021-06-10 04:27 ./
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/Chemistry/
-rw-r--r-- root/root    251184 2020-05-08 15:47 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/Chemistry/OpenBabel.pm
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/auto/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/auto/Chemistry/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/auto/Chemistry/OpenBabel/
-rw-r--r-- root/root   3610080 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/perl5/5.34/auto/Chemistry/OpenBabel/OpenBabel.so
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
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libopenbabel-dev_3.1.1+dfsg-6+b1_armhf.deb
------------------------------------------

 new Debian package, version 2.0.
 size 187448 bytes: control archive=3608 bytes.
    1185 bytes,    28 lines      control              
    7920 bytes,    98 lines      md5sums              
 Package: libopenbabel-dev
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 961
 Depends: libopenbabel7 (= 3.1.1+dfsg-6+b1)
 Suggests: libopenbabel-doc
 Section: libdevel
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox library (development files)
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package contains the static library and the header files.

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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/cmake/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/cmake/openbabel3/
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-rw-r--r-- root/root      3724 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/cmake/openbabel3/OpenBabel3_EXPORTS.cmake
lrwxrwxrwx root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/libopenbabel.so -> libopenbabel.so.7
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/arm-linux-gnueabihf/pkgconfig/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
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-rw-r--r-- root/root     17605 2021-06-10 04:27 ./usr/share/doc/libopenbabel-dev/copyright


libopenbabel7-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
----------------------------------------------

 new Debian package, version 2.0.
 size 39666692 bytes: control archive=6228 bytes.
    5690 bytes,    14 lines      control              
   13661 bytes,   129 lines      md5sums              
 Package: libopenbabel7-dbgsym
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 41569
 Depends: libopenbabel7 (= 3.1.1+dfsg-6+b1)
 Breaks: openbabel-dbg (<< 3.0.0+dfsg)
 Replaces: openbabel-dbg (<< 3.0.0+dfsg)
 Section: debug
 Priority: optional
 Description: debug symbols for libopenbabel7
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libopenbabel7_3.1.1+dfsg-6+b1_armhf.deb
---------------------------------------

 new Debian package, version 2.0.
 size 2750524 bytes: control archive=5740 bytes.
    1316 bytes,    29 lines      control              
   16194 bytes,   186 lines      md5sums              
      45 bytes,     1 lines      shlibs               
      65 bytes,     2 lines      triggers             
 Package: libopenbabel7
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 12706
 Depends: libc6 (>= 2.29), libcairo2 (>= 1.2.4), libgcc-s1 (>= 3.5), libgomp1 (>= 4.9), libinchi1 (>= 1.03+dfsg), libmaeparser1 (>= 1.2.4), libstdc++6 (>= 9), libxml2 (>= 2.7.4), zlib1g (>= 1:1.1.4)
 Conflicts: libopenbabel4
 Replaces: libopenbabel4
 Section: libs
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox library
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package contains the shared library.

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openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
------------------------------------------

 new Debian package, version 2.0.
 size 847728 bytes: control archive=1488 bytes.
    1208 bytes,    14 lines      control              
    2103 bytes,    20 lines      md5sums              
 Package: openbabel-dbgsym
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 1027
 Depends: openbabel (= 3.1.1+dfsg-6+b1)
 Breaks: openbabel-dbg (<< 3.0.0+dfsg)
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.dwz/
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-rw-r--r-- root/root    140552 2021-06-10 04:27 ./usr/lib/debug/.dwz/arm-linux-gnueabihf/openbabel.debug
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
lrwxrwxrwx root/root         0 2021-06-10 04:27 ./usr/share/doc/openbabel-dbgsym -> openbabel


openbabel-gui-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
----------------------------------------------

 new Debian package, version 2.0.
 size 750848 bytes: control archive=564 bytes.
     481 bytes,    14 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: openbabel-gui-dbgsym
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 821
 Depends: openbabel-gui (= 3.1.1+dfsg-6+b1)
 Breaks: openbabel-dbg (<< 3.0.0+dfsg)
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 Section: debug
 Priority: optional
 Description: debug symbols for openbabel-gui
 Build-Ids: 873f4521d420459c66ef73f8d71b48089c4f2718

drwxr-xr-x root/root         0 2021-06-10 04:27 ./
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.build-id/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
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lrwxrwxrwx root/root         0 2021-06-10 04:27 ./usr/share/doc/openbabel-gui-dbgsym -> openbabel-gui


openbabel-gui_3.1.1+dfsg-6+b1_armhf.deb
---------------------------------------

 new Debian package, version 2.0.
 size 86912 bytes: control archive=1188 bytes.
    1289 bytes,    27 lines      control              
     354 bytes,     5 lines      md5sums              
 Package: openbabel-gui
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 265
 Depends: libc6 (>= 2.4), libgcc-s1 (>= 3.5), libopenbabel7 (>= 3.1.1+dfsg), libstdc++6 (>= 5.2), libwxbase3.0-0v5 (>= 3.0.5.1+dfsg), libwxgtk3.0-gtk3-0v5 (>= 3.0.5.1+dfsg)
 Section: science
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox utilities (graphical user interface)
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package contains the openbabel GUI based on wxWidgets.

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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/bin/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/openbabel-gui/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/man/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/man/man1/
-rw-r--r-- root/root       454 2021-06-10 04:27 ./usr/share/man/man1/obgui.1.gz


openbabel_3.1.1+dfsg-6+b1_armhf.deb
-----------------------------------

 new Debian package, version 2.0.
 size 128652 bytes: control archive=2404 bytes.
    1831 bytes,    39 lines      control              
    2837 bytes,    46 lines      md5sums              
 Package: openbabel
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 493
 Depends: libc6 (>= 2.7), libgcc-s1 (>= 3.5), libopenbabel7 (>= 3.1.1+dfsg), libstdc++6 (>= 5.2)
 Section: science
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox utilities (cli)
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package includes the following utilities:
   * obabel: Convert between various chemical file formats
   * obenergy: Calculate the energy for a molecule
   * obminimize: Optimize the geometry, minimize the energy for a molecule
   * obgrep: Molecular search program using SMARTS pattern
   * obgen: Generate 3D coordinates for a molecule
   * obprop: Print standard molecular properties
   * obfit: Superimpose two molecules based on a pattern
   * obrotamer: Generate conformer/rotamer coordinates
   * obconformer: Generate low-energy conformers
   * obchiral: Print molecular chirality information
   * obrotate: Rotate dihedral angle of molecules in batch mode
   * obprobe: Create electrostatic probe grid

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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
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-rw-r--r-- root/root      2350 2020-05-08 15:41 ./usr/share/doc/openbabel/README.povray.gz
-rw-r--r-- root/root       181 2021-06-10 04:27 ./usr/share/doc/openbabel/TODO.Debian
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-rw-r--r-- root/root     17605 2021-06-10 04:27 ./usr/share/doc/openbabel/copyright
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/openbabel/examples/
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-rw-r--r-- root/root       960 2021-06-10 04:27 ./usr/share/man/man1/obrotamer.1.gz
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-rw-r--r-- root/root     31822 2020-05-08 15:41 ./usr/share/povray/include/babel_povray3.inc


python3-openbabel-dbgsym_3.1.1+dfsg-6+b1_armhf.deb
--------------------------------------------------

 new Debian package, version 2.0.
 size 5682796 bytes: control archive=572 bytes.
     494 bytes,    14 lines      control              
     106 bytes,     1 lines      md5sums              
 Package: python3-openbabel-dbgsym
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Auto-Built-Package: debug-symbols
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 6052
 Depends: python3-openbabel (= 3.1.1+dfsg-6+b1)
 Breaks: openbabel-dbg (<< 3.0.0+dfsg)
 Replaces: openbabel-dbg (<< 3.0.0+dfsg)
 Section: debug
 Priority: optional
 Description: debug symbols for python3-openbabel
 Build-Ids: aafe2182251095367910433b3f16f9408db6d370

drwxr-xr-x root/root         0 2021-06-10 04:27 ./
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.build-id/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/lib/debug/.build-id/aa/
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drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/
drwxr-xr-x root/root         0 2021-06-10 04:27 ./usr/share/doc/
lrwxrwxrwx root/root         0 2021-06-10 04:27 ./usr/share/doc/python3-openbabel-dbgsym -> python3-openbabel


python3-openbabel_3.1.1+dfsg-6+b1_armhf.deb
-------------------------------------------

 new Debian package, version 2.0.
 size 496972 bytes: control archive=1944 bytes.
    1294 bytes,    28 lines      control              
    1671 bytes,    19 lines      md5sums              
     271 bytes,    12 lines   *  postinst             #!/bin/sh
     420 bytes,    12 lines   *  prerm                #!/bin/sh
 Package: python3-openbabel
 Source: openbabel (3.1.1+dfsg-6)
 Version: 3.1.1+dfsg-6+b1
 Architecture: armhf
 Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
 Installed-Size: 3105
 Depends: python3 (<< 3.10), python3 (>= 3.9~), python3:any, libc6 (>= 2.4), libgcc-s1 (>= 3.5), libopenbabel7 (>= 3.1.1+dfsg), libpython3.9 (>= 3.9.1), libstdc++6 (>= 5.2)
 Provides: python3.9-openbabel
 Section: python
 Priority: optional
 Homepage: http://openbabel.sourceforge.net
 Description: Chemical toolbox library (Python bindings)
  Open Babel is a chemical toolbox designed to speak the many languages of
  chemical data. It allows one to search, convert, analyze, or store data from
  molecular modeling, chemistry, solid-state materials, biochemistry, or related
  areas.  Features include:
  .
   * Hydrogen addition and deletion
   * Support for Molecular Mechanics
   * Support for SMARTS molecular matching syntax
   * Automatic feature perception (rings, bonds, hybridization, aromaticity)
   * Flexible atom typer and perception of multiple bonds from atomic coordinates
   * Gasteiger-Marsili partial charge calculation
  .
  File formats Open Babel supports include PDB, XYZ, CIF, CML, SMILES, MDL
  Molfile, ChemDraw, Gaussian, GAMESS, MOPAC and MPQC.
  .
  This package contains the Python binding.

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Build Architecture: armhf
Build-Space: 1367820
Build-Time: 37689
Distribution: bookworm-staging
Host Architecture: armhf
Install-Time: 2980
Job: openbabel_3.1.1+dfsg-6
Machine Architecture: armhf
Package: openbabel
Package-Time: 40763
Source-Version: 3.1.1+dfsg-6
Space: 1367820
Status: successful
Version: 3.1.1+dfsg-6+b1
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Finished at 2022-02-13T23:46:52Z
Build needed 11:19:23, 1367820k disc space
Raspbian Package Auto-Building

Build log for openbabel (3.1.1+dfsg-6+b1) on armhf
