9833984
  -OEChem-04252402213D

 16 15  0     1  0  0  0  0  0999 V2000
   -1.9019   -0.1144   -0.4537 P   0  3  0  0  0  0  0  0  0  0  0  0
    1.0385   -0.4879   -1.2975 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1353    1.4257   -0.0234 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8836   -0.7333    0.4294 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2964    0.3846    0.1119 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8686    0.1251   -0.0894 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3887   -0.4433    0.5627 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1060   -0.1566    0.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    1.2006   -0.2766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856   -1.5310    0.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5166   -0.0323    1.5707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9978    0.2865    1.7556 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2412   -1.2369    0.8776 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1066    0.2291    0.7103 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2039    1.3948    0.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5171    2.0169   -0.5036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  3 16  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
M  CHG  1   1   1
M  END
> <PUBCHEM_COMPOUND_CID>
9833984

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
20
24
5
15
21
2
23
6
18
22
12
3
7
16
17
19
8
14
9
10
4
11
13

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
3

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 5 cation
1 5 donor

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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>
00960E0000000001

> <PUBCHEM_MMFF94_ENERGY>
1.7623

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
12897270 3 16487248863664884288
12932764 1 17846488249298876770
14325111 11 18186796963661704066
14390081 3 18341043060323586184
15310529 11 18201435857089405511
23235685 24 16558751234421982035
29004967 10 17346321500692500579
5460574 1 13758358890214146714

> <PUBCHEM_SHAPE_MULTIPOLES>
144.49
4.54
0.93
0.89
0.95
0.02
0.1
0.04
-0.54
-0.33
-0.08
-0.06
-0.19
-0.34

> <PUBCHEM_SHAPE_SELFOVERLAP>
251.447

> <PUBCHEM_SHAPE_VOLUME>
96

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$