62665
  -OEChem-05112422063D

  4  3  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.6224 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.9872   -0.9041   -0.2075 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.2894    1.3069   -0.2075 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2766   -0.4029   -0.2075 F   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
M  END
> <PUBCHEM_COMPOUND_CID>
62665

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 0.52
2 -0.17
3 -0.17
4 -0.17

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
0000F4C900000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 8358243856870280083
21015797 1 8502112711370534401

> <PUBCHEM_SHAPE_MULTIPOLES>
64.35
1.1
1.1
0.71
0.3
0.22
-0.17
-0.22
0.13
-0.3
0.13
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
99.7

> <PUBCHEM_SHAPE_VOLUME>
47.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$