11855
  -OEChem-04272401033D

 12 12  0     0  0  0  0  0  0999 V2000
    0.0001    2.8669   -0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.7242    1.2826    0.0008 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.7241    1.2828   -0.0006 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6646   -1.9039    0.0008 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.6643   -1.9042   -0.0010 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0001    1.1242    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081    0.4267    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079    0.4267   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2080   -0.9682   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -0.9682    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -1.6655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -2.7539   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11855

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 -0.18
10 0.18
11 -0.15
12 0.15
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 6 7 8 9 10 11 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
00002E4F00000001

> <PUBCHEM_MMFF94_ENERGY>
25.2053

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10967382 1 18338517439122492677
11206711 2 18265334100018214781
12524768 44 18341055107638058758
13140716 1 18410573942202031978
13380535 21 18410866455244536996
16945 1 18410575088958254085
193761 8 18410575088958065702
21040471 1 18410573985151613537
21501502 16 18410855464428624711
2334 1 18410574015216443078
23526114 1 18411419526921059094
23552423 10 18333734615297838334
241688 4 18410292480110041234
2748010 2 18411699889363973110
53812653 166 18271242832297974377
66348 1 18411981364335460832
68250623 7 18410578383198313031

> <PUBCHEM_SHAPE_MULTIPOLES>
235.72
3.91
2.97
0.63
0
0.83
0
-0.94
0
0
0
0
0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
448.402

> <PUBCHEM_SHAPE_VOLUME>
144.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$