10351665
  -OEChem-04242405593D

 15 15  0     0  0  0  0  0  0999 V2000
   -2.7620    0.0001    0.0006 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7991    0.0002   -0.0001 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3887   -0.0001    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913   -1.2081    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6912    1.2080    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -0.0001   -0.0006 C   1  0  0  0  0  0  0  0  0  0  0  0
   -0.7035   -1.2081   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7037    1.2080   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2235   -2.1559    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2232    2.1559    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2351   -2.1559   -0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2415    2.1522   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3055   -0.8752    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3051    0.8759    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0772   -0.9201    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 13  1  0  0  0  0
  2 14  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  1  0  0  0  0
  5  8  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
M  ISO  1   6  13
M  END
> <PUBCHEM_COMPOUND_CID>
10351665

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
15
1 -0.53
10 0.15
11 0.15
12 0.15
13 0.4
14 0.4
15 0.45
2 -0.9
3 0.1
4 -0.15
5 -0.15
6 0.08
7 -0.15
8 -0.15
9 0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 1 donor
1 2 cation
1 2 donor
6 3 4 5 6 7 8 rings

> <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>
1

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
4

> <PUBCHEM_CONFORMER_ID>
009DF43100000001

> <PUBCHEM_MMFF94_ENERGY>
28.1286

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.297

> <PUBCHEM_SHAPE_FINGERPRINT>
16714656 1 18410858763163727814
18185500 45 18410852183084049671
20096714 4 18338799017194314155
21040471 1 18410574028116961351
23235685 24 18410852170183304000
23402655 69 18195508317797372749
23552423 10 18045228145832094054
29004967 10 18261399935618171313
5084963 1 18343864419971378272

> <PUBCHEM_SHAPE_MULTIPOLES>
153.79
2.9
1.38
0.59
0.1
0
0
0
0
-0.01
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
319.624

> <PUBCHEM_SHAPE_VOLUME>
88.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$