8014
  -OEChem-10091909483D

 15 14  0     0  0  0  0  0  0999 V2000
   -1.2085   -0.4926    0.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4184    0.3226   -0.0107 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0237    0.3555    0.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2369   -0.4963   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4231    0.3108   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0279    0.9864    0.9205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0298    1.0191   -0.8516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2426   -1.1409   -0.8882 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2661   -1.1573    0.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2120   -1.0967    0.8240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4997    0.9412    0.8790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2959   -0.3492   -0.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4691    0.9441   -0.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4292    0.9309    0.8072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086    0.9429   -0.8194 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1 10  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
8014

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
7
6
5
3
4
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 -0.9
10 0.36
14 0.36
15 0.36
2 -0.99
3 0.27
4 0.27
5 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 1 cation
1 1 donor
1 2 cation
1 2 donor

> <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>
00001F4E00000001

> <PUBCHEM_MMFF94_ENERGY>
-4.4171

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.297

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 9151172051776659081
14390081 3 18273210915183073880
16714656 1 18413108355316821661
20096714 4 18410575119091473512
29004967 10 16660368060342978840
5460574 1 9223231849301575937

> <PUBCHEM_SHAPE_MULTIPOLES>
92.94
3.45
0.74
0.58
0.2
0.02
0
-0.39
-0.03
-0.02
0
0.02
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
153.01

> <PUBCHEM_SHAPE_VOLUME>
63.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$