136332
  -OEChem-05042419073D

  5  4  0     0  0  0  0  0  0999 V2000
   -2.3763    0.0001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2002   -0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2002    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  2  0  0  0  0
  2  5  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
136332

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.49
2 -0.49
4 0.49
5 0.49

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <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>
0002148C00000001

> <PUBCHEM_MMFF94_ENERGY>
-0.0921

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 8935000369164005513
20096714 4 18340205292666550904
29004967 10 18411986861988383026
5460574 1 8935003671993778179

> <PUBCHEM_SHAPE_MULTIPOLES>
91.16
3.05
0.58
0.58
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
175.271

> <PUBCHEM_SHAPE_VOLUME>
53.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$