25353
  -OEChem-10091907433D

  3  2  0     0  0  0  0  0  0999 V2000
   -1.5317    0.4446    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.5317    0.4445    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8891    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25353

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.07
2 -0.07
3 0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
0000630900000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 18410856559639796071
21015797 1 18337106877399715966

> <PUBCHEM_SHAPE_MULTIPOLES>
69.33
2.19
1.07
0.67
0
0.19
0
-0.7
0
0
0
0
0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
86.634

> <PUBCHEM_SHAPE_VOLUME>
59

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$