9253
  -OEChem-04192417243D

 15 15  0     0  0  0  0  0  0999 V2000
   -1.0551   -0.6580    0.2446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9716    0.7805   -0.2349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2952   -1.2327   -0.1536 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4469    1.1915    0.1309 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2846   -0.0814    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1742   -0.6896    1.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887   -1.2020   -0.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1092    0.8265   -1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7240    1.4220    0.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5683   -2.1041    0.4489 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2713   -1.5481   -1.2036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8210    1.9934   -0.5127 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4759    1.5560    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8979   -0.2164    0.9106 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9655   -0.0323   -0.8435 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
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9253

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <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>
0000242500000001

> <PUBCHEM_MMFF94_ENERGY>
1.5477

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18049175650263077436
20096714 4 18411419518193811928
21015797 1 9286753934404286723
21040471 1 18121217580275734301
5943 1 13003490908672847703

> <PUBCHEM_SHAPE_MULTIPOLES>
102.9
1.42
1.41
0.65
0.03
0
0
0
0.02
0.01
-0.02
-0.02
0
0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
193.452

> <PUBCHEM_SHAPE_VOLUME>
62.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$