24526
 OpenBabel05082101303D

  2  1  0  0  0  0  0  0  0  0999 V2000
   -1.0061    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.0061    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
24526

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
0

>  <PUBCHEM_HEAVY_ATOM_COUNT>
2

>  <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

>  <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

>  <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

>  <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

>  <PUBCHEM_COMPONENT_COUNT>
1

>  <PUBCHEM_CACTVS_TAUTO_COUNT>
1

>  <PUBCHEM_CONFORMER_ID>
00005FCE00000001

>  <PUBCHEM_MMFF94_ENERGY>
0

>  <PUBCHEM_FEATURE_SELFOVERLAP>
0

>  <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 18410856559639848037
21015797 1 18122344854540255269

>  <PUBCHEM_SHAPE_MULTIPOLES>
44.9
1.67
0.65
0.65
0
0
0
0
0
0
0
0
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
51.957

>  <PUBCHEM_SHAPE_VOLUME>
40.4

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$
