16206854
  -OEChem-04232415403D

  3  3  0     0  0  0  0  0  0999 V2000
    0.8264    0.0267    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3901   -0.7289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4364    0.7021    0.0000 O   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
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
16206854

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
0

> <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>
00F74C0600000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
21015797 1 18409731759260418468
260 1 18410856563934756871

> <PUBCHEM_SHAPE_MULTIPOLES>
44.13
0.83
0.83
0.49
0.14
0.01
0
-0.01
0
-0.14
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
71.907

> <PUBCHEM_SHAPE_VOLUME>
31.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$