145434
  -OEChem-10171908063D

  6  5  0     0  0  0  0  0  0999 V2000
   -0.9120    0.9976    0.7736 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9120   -1.1687    0.4772 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122    0.1711   -1.2506 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9951    0.0000   -0.0001 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.4250    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1661    0.0000    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  1  0  0  0  0
  3  5  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  3  0  0  0  0
M  CHG  2   4   1   6  -1
M  END
> <PUBCHEM_COMPOUND_CID>
145434

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
6
1 -0.34
2 -0.34
3 -0.34
4 0.1
5 1.29
6 -0.37

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
6

> <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>
0002381A00000001

> <PUBCHEM_MMFF94_ENERGY>
1.0297

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 10951236392272452994
20096714 4 17844536500227151456
21015797 1 8357095992537368633
24536 1 18412823590679966288
29004967 10 17487034902808013559
5943 1 11953574041500154625

> <PUBCHEM_SHAPE_MULTIPOLES>
96.67
2.05
0.86
0.86
1.45
0.11
-0.18
0
0
-0.3
0.18
-0.3
-0.11
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
178.996

> <PUBCHEM_SHAPE_VOLUME>
61.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$