24614
  -OEChem-05042423473D

  4  3  0     0  0  0  0  0  0999 V2000
    1.6458    0.9563    0.2669 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6511    0.9471    0.2670 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0053   -1.9034    0.2669 Br  0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000   -0.8008 P   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24614

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.1
2 -0.1
3 -0.1
4 0.29

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <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>
0000602600000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 10587047423726243326
20096714 4 18131631153671006260
23552449 11 17903352607196802129
5943 1 7803023268281057636

> <PUBCHEM_SHAPE_MULTIPOLES>
103.99
2.11
2.11
0.93
0.34
1.28
0.09
-1.28
-0.36
-0.34
-0.36
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
130.211

> <PUBCHEM_SHAPE_VOLUME>
88.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$