11062317
  -OEChem-04262404203D

  5  4  0     0  0  0  0  0  0999 V2000
   -2.7914    0.0001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.7915    0.0001    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0001   -0.0004   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2006    0.0001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2006    0.0001    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>
11062317

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 -0.27
2 -0.27
4 0.27
5 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 1 acceptor
1 2 acceptor

> <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>
00A8CC2D00000001

> <PUBCHEM_MMFF94_ENERGY>
-0.1926

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
14390081 3 18342735225830108777
29004967 10 18342181063453368250
5460574 1 8358260345202016258

> <PUBCHEM_SHAPE_MULTIPOLES>
110.6
4.63
0.65
0.65
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
190.16

> <PUBCHEM_SHAPE_VOLUME>
71.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$