15682862
  -OEChem-10091915413D

  5  4  0     0  0  0  0  0  0999 V2000
   -1.6981   -1.1674    0.0008 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.7029   -1.1612    0.0025 I   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0031    1.1426    1.6109 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0013    1.1380   -1.6140 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    0.0480   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
15682862

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.19
2 -0.19
3 -0.23
4 -0.23
5 0.84

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
5
1 1 hydrophobe
1 2 hydrophobe
1 3 hydrophobe
1 4 hydrophobe
5 1 2 3 4 5 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
00EF4D2E00000001

> <PUBCHEM_MMFF94_ENERGY>
0.0007

> <PUBCHEM_FEATURE_SELFOVERLAP>
26.074

> <PUBCHEM_SHAPE_FINGERPRINT>
24536 1 15431752791347235454
5943 1 12071625538167386823

> <PUBCHEM_SHAPE_MULTIPOLES>
138.65
2.12
1.89
1.76
0
0.01
0
-1.5
0
0
0
0
1.18
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
186.196

> <PUBCHEM_SHAPE_VOLUME>
111.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$