87365628
  -OEChem-10111915013D

  9  8  0     0  0  0  0  0  0999 V2000
   -0.2408    1.4398   -1.4710 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.3840    0.0823   -0.0117 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.3423    1.5434    1.4105 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7530   -2.2862    0.0150 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6242    0.4408    0.0256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.6284    0.4716   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1923   -0.8067    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5321   -0.8849    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -1.8254    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  6  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
87365628

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.29
2 -0.29
3 -0.29
4 -0.14
5 -0.14
6 1.01
8 -0.01
9 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
053517FC00000001

> <PUBCHEM_MMFF94_ENERGY>
15.4874

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 18113899411280394309
137420 1 16984356947264412101
14128692 85 17904211673396250078
16714656 1 18334292076082413470
16945 1 18410292553140276684
21040471 1 18410575067646947906
23211744 25 17837443632157197525
24536 1 17408787835620823722
29004967 10 17676781889452882385
5084963 1 18190463744862217602
5943 1 17829086355906607220
68250623 7 16770121500354313021

> <PUBCHEM_SHAPE_MULTIPOLES>
173.99
2.69
2.11
1.18
0.98
0.8
0.05
-0.01
-0.03
-0.49
-0.06
-0.13
-0.8
-0.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
285.491

> <PUBCHEM_SHAPE_VOLUME>
120.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$