81714
  -OEChem-04252416563D

  9  8  0     0  0  0  0  0  0999 V2000
    1.5078    0.1830    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1995   -0.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3084    0.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7480    1.0157   -1.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4841   -0.9359    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477    1.0168    1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2918   -1.5461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2843   -0.1927   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2796    1.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
81714

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
9
1 0.83
2 -0.38
3 -0.3
4 -0.2
5 -0.2
6 -0.2
7 0.15
8 0.15
9 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
3

> <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>
00013F3200000001

> <PUBCHEM_MMFF94_ENERGY>
1.3089

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 18410856568409117700
20096714 4 9295281759822554290
21015797 1 18191588772658428174
5460574 1 18410856551308343812

> <PUBCHEM_SHAPE_MULTIPOLES>
79.95
2.21
0.86
0.77
0.14
0.02
0
0.25
0
0.12
0
0.18
0.02
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
117.342

> <PUBCHEM_SHAPE_VOLUME>
61.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$