3609161
  -OEChem-04262416003D

  3  2  0     0  0  0  0  0  0999 V2000
   -1.3359    0.0000   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3359    0.0000   -0.0001 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.0001    0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  2  3  2  0  0  0  0
M  CHG  1   3   1
M  END
> <PUBCHEM_COMPOUND_CID>
3609161

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
3
1 -0.68
2 -0.68
3 1.37

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 1 acceptor
1 2 acceptor

> <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>
0037124900000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.157

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 14908181949452399363
21015797 1 14691135145788866281

> <PUBCHEM_SHAPE_MULTIPOLES>
45.02
1.67
0.5
0.5
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
67.519

> <PUBCHEM_SHAPE_VOLUME>
32.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$