24807
  -OEChem-05062401493D

  4  3  0     0  0  0  0  0  0999 V2000
   -1.9170   -0.7109   -0.2690 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.9168   -0.7113    0.2686 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7934    0.7108    0.6496 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7936    0.7114   -0.6492 S   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24807

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
5
4
3
6
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.07
2 -0.07
3 0.07
4 0.07

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
000060E700000001

> <PUBCHEM_MMFF94_ENERGY>
-8.7338

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9295288343648573505
5943 1 12333044190132112933

> <PUBCHEM_SHAPE_MULTIPOLES>
93.76
2.76
1.18
0.93
0
0.01
0
-1.06
0
0
0
0
0.13
-0.38

> <PUBCHEM_SHAPE_SELFOVERLAP>
121.649

> <PUBCHEM_SHAPE_VOLUME>
78

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$