82247
  -OEChem-04262417203D

  5  4  0     0  0  0  0  0  0999 V2000
    1.0972   -1.8982    0.2070 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1009    0.4187    1.8603 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4221   -0.1522   -1.6743 Br  0  0  0  0  0  0  0  0  0  0  0  0
    1.4260    1.6319   -0.3927 Br  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.0001   -0.0003 Si  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>
82247

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
5
1 -0.33
2 -0.33
3 -0.33
4 -0.33
5 1.33

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <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>
0001414700000001

> <PUBCHEM_MMFF94_ENERGY>
0.0489

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
137420 1 9148961041262284915
16714656 1 11582775392852442205
20711978 78 13383257165472146022
23552449 11 14097023139078071578
5943 1 15013359174476110178
68250623 7 16954181859625124691

> <PUBCHEM_SHAPE_MULTIPOLES>
144.88
1.97
1.97
1.97
0.02
0.37
0.37
-0.17
-0.33
-1.4
-0.05
1.38
-0.2
-0.45

> <PUBCHEM_SHAPE_SELFOVERLAP>
198.612

> <PUBCHEM_SHAPE_VOLUME>
114.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$