8370
  -OEChem-04252405163D

 12 12  0     0  0  0  0  0  0999 V2000
   -3.0722    0.6434    0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9787    2.9821    0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937   -2.3383    0.0010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.0937    2.3381   -0.0007 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9786   -2.9820   -0.0016 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -0.6436    0.0015 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.3653    0.2859   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351    1.3253   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9301   -1.0394   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9302    1.0395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4352   -1.3252    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3653   -0.2858    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8370

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 -0.18
10 0.18
11 0.18
12 0.18
2 -0.18
3 -0.18
4 -0.18
5 -0.18
6 -0.18
7 0.18
8 0.18
9 0.18

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
6 7 8 9 10 11 12 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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>
000020B200000001

> <PUBCHEM_MMFF94_ENERGY>
31.1547

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10967382 1 18338798918383614629
13140716 1 18410574028101124544
16945 1 18338798909767286790
193761 8 18338797951989579782
20588541 1 18338801108854053743
21501502 16 18266741461758246919
2334 1 18194401323296751623
23526114 1 18266458887275183319
23552423 10 18262235646133577478
23559900 14 18342746204926716278
241688 4 17617941326907572579
2748010 2 18266741461758247007
5084963 1 18059289868526946680
66348 1 18410573946496745480

> <PUBCHEM_SHAPE_MULTIPOLES>
258.17
3.67
3.67
0.64
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
488.072

> <PUBCHEM_SHAPE_VOLUME>
157.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$