151954
  -OEChem-04232402203D

 32 32  0     0  0  0  0  0  0999 V2000
   -1.6428   -1.9712   -0.6326 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4751    1.6433   -0.0103 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0005   -1.0855   -0.0714 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3608    1.4208    0.6309 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8956    0.2990   -0.4485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2920    0.8102   -0.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6322   -1.0705   -0.4787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510    1.2074   -0.2907 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9894    0.9450    0.7777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4613    0.7463   -0.1631 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7249   -0.6232   -0.1932 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6781   -1.5317   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2661   -2.4547    0.5554 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1206    3.0247    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4674   -1.3601    1.2480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2798    1.7840   -1.0912 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8733    0.1544   -1.2438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1135    2.2593   -0.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4415    1.6539    1.4096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0069   -0.0010    1.3221 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8837   -2.5990   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8846    0.7721    0.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3614    2.3100    0.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1574   -3.5428    0.5824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3322   -2.2150    0.5178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8248   -2.0369    1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4807    3.2649    0.8661 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6828    3.3436   -0.9420 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0479    3.5929    0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8602   -2.1425    1.7143 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4471   -0.4532    1.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5001   -1.7129    1.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  1  0  0  0  0
  2 14  1  0  0  0  0
  3 11  1  0  0  0  0
  3 15  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  2  0  0  0  0
  6  9  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 12 21  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
151954

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
6
11
30
27
21
31
8
20
19
28
23
5
25
22
10
29
32
7
18
24
13
17
15
12
14
26
3
16
9
1
2
4

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
19
1 -0.36
10 0.08
11 0.08
12 -0.15
13 0.28
14 0.28
15 0.28
18 0.15
2 -0.36
21 0.15
22 0.36
23 0.36
3 -0.36
4 -0.99
5 -0.14
6 0.14
7 0.08
8 -0.15
9 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 1 acceptor
1 2 acceptor
1 3 acceptor
1 4 cation
1 4 donor
6 5 7 8 10 11 12 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
0002519200000006

> <PUBCHEM_MMFF94_ENERGY>
63.883

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.45

> <PUBCHEM_SHAPE_FINGERPRINT>
12251169 10 18410009905653344618
12507560 14 18194960742818853747
12644460 14 18260274036133783176
13140716 1 18410569604495858018
13172582 1 18339075978112832994
13380535 21 18337117868268609876
13380535 76 18342456994039094319
13922767 16 18267021665815424349
14022347 108 18122076307911432566
14178342 30 18193266623176564720
14617773 55 18129369570248738743
14648413 74 18413113874418459750
15375462 189 17895465913523221034
15442244 35 18411416215358589103
16945 1 18338230449502817206
193761 8 18339078318949137302
20510252 161 17622167192512339456
20511035 2 18130213947865411622
20671657 1 18410019865883542300
21501502 16 18338795727212461767
22094290 62 18412265016918749253
2334 1 18266173018705230046
23552423 10 18189610712859692822
25147074 1 18338228379434056150
2748010 2 18338793532689837182
57426455 70 18191865613486836850
68250623 7 18336828705268764622
7364860 26 18268707376312765556
74978 22 18411136948042535006

> <PUBCHEM_SHAPE_MULTIPOLES>
286.1
5.61
2.87
0.89
1.87
0.51
-0.14
0.9
-1.98
-0.49
-0.25
0.04
-0.16
-0.59

> <PUBCHEM_SHAPE_SELFOVERLAP>
580.861

> <PUBCHEM_SHAPE_VOLUME>
168.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$