141455
  -OEChem-04252410043D

  8  8  0     0  0  0  0  0  0999 V2000
   -1.9608   -0.0405   -0.3578 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9616   -0.0276   -0.3569 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0054    1.7125    0.7271 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068   -2.0118   -0.2629 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3169    1.3259   -0.3043 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3043   -1.1502    0.4304 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3066    1.3336   -0.3061 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3125   -1.1420    0.4305 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  2  7  2  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
141455

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
2
3

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
0002288F00000001

> <PUBCHEM_MMFF94_ENERGY>
18.7491

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
18185500 45 17906729198441201629
20651381 6 17979354166222543991
21040471 1 18266174122422154108
23235685 24 18266740181905634404
241688 4 16897646784195696362
66348 1 18410292518780531860

> <PUBCHEM_SHAPE_MULTIPOLES>
160.11
2.46
2.29
0.8
0
0.19
0.03
-0.03
-0.36
0
0.22
0
-0.07
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
270.696

> <PUBCHEM_SHAPE_VOLUME>
108.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$