24547
  -OEChem-04162400213D

  3  2  0     0  0  0  0  0  0999 V2000
   -1.1582    0.2683    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1582    0.2683    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.5366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  2  3  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24547

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.07
2 -0.07
3 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>
00005FE300000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 18410856559639900005
21015797 1 18047756180445513934

> <PUBCHEM_SHAPE_MULTIPOLES>
41.32
1.34
0.62
0.47
0
0.05
0
-0.24
0
0
0
0
0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
59.658

> <PUBCHEM_SHAPE_VOLUME>
31.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$