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Current File : /lib64/openbabel/mdlformat.so
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N���z���H���S���f.��AUI��H��H)�ATI��USH��H��H�����M��� H�oH��L)�I�L$I��H��H�~�H��H��?H�H�I��H�H9���H9���H9���M�$I�<$L�N�M�D$I�$H��H��@I9�sH��L�L9�w�H��L9�sH��L�L9�r�H9�vL�L�H��L�L�H�I�$�L��H���)��H��H��L)�H�����M��tIH���(���H9�r&H9��]���I�$I�$H�
L�N�M�D$I�$�U���M�$I�$M�D$L�N��?���H��H�j�I��H��H��I��L��H��L���,��H��u�H��I�$H��H�L)�1�L��H��H��H�CH���|,��H���H��[]A\A]�H��H���formatschemical/x-mdl-molfileNot a valid output formatHIERNot a valid input format$$$$
baddtotitlepropertyCjjoinseparatevhcpfilteradddeleteappendAliasM  V30 BEGIN CTABM  V30 COUNTS  0 0 M  V30 BEGIN ATOMM  V30 END ATOMM  V30 BEGIN BONDM  V30  CHG= RAD= MASS=M  V30 END BONDM  V30 END CTAB CFG=%02d%02d%02d%02d%02dvector::reserve$RXN>basic_string::substrNAME$MOLmolmdl23vector::_M_range_insert 	

V30RGROUPCFG* 2DA3D OpenBabelwMOL Chiral Flag will be ignored.
  0  0  0A  Atom ClassM  RADM  ISOM  CHGM  ENDsdmPartialCharges>  <no$$$$chemical/x-mdl-sdfilesdfR#MASSVALLINKNODEBEGINCOUNTSCannot read title line
T0DCannot read comment line
File ended prematurely
V3000) in counts line
Invalid bond specification
S  SKPvector::_M_range_check$RXNreadError in line:
MDL MOL format
Reads and writes V2000 and V3000 versions

Open Babel supports an extension to the MOL file standard
that allows cis/trans and tetrahedral stereochemistry to be
stored in 0D MOL files. The tetrahedral stereochemistry is
stored as the atom parity, while the cis/trans stereochemistry
is stored using Up and Down bonds similar to how it is
represented in a SMILES string. Use the ``S`` option
when reading or writing if you want to avoid storing
or interpreting stereochemistry in 0D MOL files.

Read Options, e.g. -as
 s  determine chirality from atom parity flags
       The default setting for 2D and 3D is to ignore atom parity and
       work out the chirality based on the bond
       stereochemistry (2D) or coordinates (3D).
       For 0D the default is already to determine the chirality
       from the atom parity.
 S  do not read stereochemistry from 0D MOL files
       Open Babel supports reading and writing cis/trans
       and tetrahedral stereochemistry to 0D MOL files.
       This is an extension to the standard which you can
       turn off using this option.
 T  read title only
 P  read title and properties only
       When filtering an sdf file on title or properties
       only, avoid lengthy chemical interpretation by
       using the ``T`` or ``P`` option together with the
       :ref:`copy format <Copy_raw_text>`.

Write Options, e.g. -x3
 3  output V3000 not V2000 (used for >999 atoms/bonds) 
 m  write no properties
 w  use wedge and hash bonds from input (2D only)
 S  do not store cis/trans stereochemistry in 0D MOL files
 A  output in Alias form, e.g. Ph, if present

http://www.mdl.com/downloads/public/ctfile/ctfile.jsp  0  0  0     0  0            999 V3000 blocks are not currently implemented and their contents are ignored.RGROUP and RLOGIC blocks are not currently implemented and their contents are ignored.No 2D or 3D coordinates exist. Any stereochemical information will be lost. To generate 2D or 3D coordinates use --gen2D or --gen3D.No 2D or 3D coordinates exist. Stereochemical information will be stored using an Open Babel extension. To generate 2D or 3D coordinates instead use --gen2D or --gen3D.WARNING: The Chiral Flag should be either 0 or 1. The value of %3d%3d  0  0%3d  0  0  0  0  0999 V2000
%10.4f%10.4f%10.4f %-3s%2d%3d%3d%3d%3d%3d%3d%3d%3d%3d%3d%3dA molecule contains an R group which are not currently implementedWARNING: Problems reading a MDL file
Cannot read creator/dimension line line
Cannot read atom and bond count
Expected standard 6 character atom and bond count
WARNING: Problems reading the Count line of an MDL file
There may be erroneous addition spaces or
the file may contains Atom Lists, which are ignored
Not enough atoms to match atom count (Missing data following atom specification in atom block
Not enough bonds to match bond count (Invalid bond specification, atom numbers or bond order are wrong;
each should be in a field of three characters.
Invalid line: too many items, only 8 items are allowed:
Error in line: Invalid number following 'M  CHG', 'M  ISO' or 'M  RAD' specification (must be an integer in range 1 to 8)

%&'()*+,-./012789:;<=>?@ABCDEFGHIJKLMNOPQRSWXYZ[\]^_`abcdefg@���M���@���������������K���ReadRGroupBlockReadUnimplementedBlockReadAtomBlockWriteMoleculeReadMoleculeN9OpenBabel13OBGenericDataEN9OpenBabel16OBMoleculeFormatEPN9OpenBabel5OBMolEN9OpenBabel9AliasDataEN9OpenBabel9MDLFormatEN9OpenBabel9MOLFormatEN9OpenBabel8SDFormatE;|n��������!��0�!���8#���x)��0	(*��`	x*���	�*��H�/��8�1��HH4���x5����6���x:���A��h�L��hxQ����l���r��0�x���({��������Ȯ���خ��������� ���8���P(���h8����H����X����h����x�����������������(����@ȯ��Xد��p�����x�����������(���8���Hȱ��p����������8�������0���X������������h���(����������	8����	��
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