61603
  -OEChem-05122409003D

  4  3  0     0  0  0  0  0  0999 V2000
    0.6394    1.7685    0.1575 I   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8513   -0.3306    0.1575 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2120   -1.4379    0.1575 I   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000   -0.4724 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  4  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
61603

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
4
1 0.04
2 0.04
3 0.04
4 -0.13

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
0000F0A300000001

> <PUBCHEM_MMFF94_ENERGY>
0

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9943220641802878859
16714656 1 17547017325073489570
20096714 4 17911244132635232153
21040471 1 17690000462860176757
23552449 1 17835511631529565690
23552449 11 18334845139300837299
5943 1 12277631389667465007

> <PUBCHEM_SHAPE_MULTIPOLES>
113.14
2.32
2.32
0.84
1.42
0.21
-0.05
-0.21
-0.16
-1.42
-0.16
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
144.522

> <PUBCHEM_SHAPE_VOLUME>
97.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$