6451467
  -OEChem-04242415573D

  6  6  0     0  0  0  0  0  0999 V2000
    0.0002    1.0783    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1295    0.3559   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1293    0.3563    0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6876   -0.8953    0.0002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6880   -0.8952   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0004    2.0928    0.0001 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
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
6451467

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 0.57
2 -0.42
3 -0.42
6 0.27

> <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>
0062710B00000001

> <PUBCHEM_MMFF94_ENERGY>
1.7193

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9223231849122331811
20096714 4 18411422808133557368
21015797 1 9295289438870476258

> <PUBCHEM_SHAPE_MULTIPOLES>
77.99
1.21
1.12
0.51
0
0.02
0
-0.01
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
151.36

> <PUBCHEM_SHAPE_VOLUME>
46.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$