164575
  -OEChem-04192421573D

 10 10  0     0  0  0  0  0  0999 V2000
   -1.5512   -0.0122   -0.0063 P   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2060   -1.3036    0.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2267    1.3001    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9977   -0.7134   -0.0037 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9862    0.7291   -0.0032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8851   -0.0148    1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3554   -2.3742    0.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3930    2.3683    0.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9293   -1.2623    0.0103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9090    1.2927    0.0112 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  6  1  0  0  0  0
  2  4  2  0  0  0  0
  2  7  1  0  0  0  0
  3  5  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  5 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
164575

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
10
1 -0.11
10 0.15
2 -0.14
3 -0.14
4 -0.15
5 -0.15
6 0.1
7 0.15
8 0.15
9 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
5 1 2 3 4 5 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <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>
000282DF00000001

> <PUBCHEM_MMFF94_ENERGY>
21.3923

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9222072959677099207
16714656 1 18410867559378075932
20096714 4 18122628520076900401
21015797 1 9294127250837697252
21040471 1 18266458900281547333
5943 1 14806628130643560912

> <PUBCHEM_SHAPE_MULTIPOLES>
106.75
1.58
1.49
0.63
0.4
0
0
0
0
-0.08
0
0.03
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
196.007

> <PUBCHEM_SHAPE_VOLUME>
68.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$