521350
  -OEChem-04252404553D

  7  6  0     0  0  0  0  0  0999 V2000
    3.5771    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5770    0.0000   -0.0001 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
    1.2006   -0.0002    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006    0.0000    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4010    0.0001   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4010    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3  5  2  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
521350

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.49
2 -0.49
6 0.49
7 0.49

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
7

> <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>
0007F48600000001

> <PUBCHEM_MMFF94_ENERGY>
-0.085

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
11062470 55 18407760339201554125
14325111 11 18407759231094807971
5460574 1 10015865379244474368

> <PUBCHEM_SHAPE_MULTIPOLES>
132.32
5.68
0.59
0.59
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
266.368

> <PUBCHEM_SHAPE_VOLUME>
75

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$