12634376
  -OEChem-10111915013D

  9  8  0     0  0  0  0  0  0999 V2000
   -1.2808   -1.9094    0.0428 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7837    0.6075    1.4493 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.8981    0.4926   -1.4315 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8750    1.8835   -0.0488 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1521   -0.3867   -0.0105 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.0109   -0.1317    0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4771    0.1740   -0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4693   -0.7298    0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3332   -1.8011    0.0284 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>
12634376

> <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>
00C0C90800000001

> <PUBCHEM_MMFF94_ENERGY>
10.0317

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12932764 1 17967819349261265578
137420 1 16748463943106947987
15310529 11 16805898328784914334
23552423 10 18118968237388934302
24536 1 18130507534401983539
29004967 10 18115038415417176848
3248919 1 18131630076240636038
5084963 1 18190459561389796600

> <PUBCHEM_SHAPE_MULTIPOLES>
173.99
3.51
1.74
1.18
2.57
0.06
-0.01
0.47
0.08
-0.18
-0.02
-0.98
-0.3
-0.03

> <PUBCHEM_SHAPE_SELFOVERLAP>
284.275

> <PUBCHEM_SHAPE_VOLUME>
120.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$