11675
  -OEChem-04242411043D

 26 25  0     0  0  0  0  0  0999 V2000
   -0.7985    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7985    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783   -1.4133   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3783    0.4898    1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3784    0.9236   -1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783   -0.4897   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3782   -0.9236    1.0987 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783    1.4133    0.2505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -2.1239    0.5245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751   -1.3920   -0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0758   -1.8143   -1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759    1.5162    1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -0.1514    2.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4751    0.4823    1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    0.6077   -2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4752    0.9096   -1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0760    1.9657   -0.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751   -0.4822   -1.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    0.1514   -2.1824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0761   -1.5161   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0758   -0.6078    2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759   -1.9658    0.9599 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4750   -0.9096    1.0821 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0760    1.8142    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4752    1.3919    0.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0759    2.1239   -0.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11675

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
4 1 3 4 5 hydrophobe
4 2 6 7 8 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
00002D9B00000001

> <PUBCHEM_MMFF94_ENERGY>
29.7627

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.172

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 13988086554649022507
21040471 1 17750504092508247973
23552333 60 18266731566422875867
24536 1 17846497032311675241
29004967 10 17533493693172099635
5084963 1 18122056778552621832

> <PUBCHEM_SHAPE_MULTIPOLES>
164.64
2.2
1.39
1.39
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
299.382

> <PUBCHEM_SHAPE_VOLUME>
111

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$