63257249
  -OEChem-04192423563D

 37 38  0     0  0  0  0  0  0999 V2000
    5.3655   -1.8810    0.9319 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115   -1.9631   -0.0312 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3205    0.2945   -0.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    2.7503   -0.6313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8927   -1.7011   -0.6989 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3067   -1.4088   -1.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9366   -0.5050   -0.7460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1014   -0.4301   -0.3944 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4988   -0.8226   -0.3633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9030   -0.8904    0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0344    0.9350   -0.6728 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7038    0.3590   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4048    1.5605   -0.2354 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6378    0.0145    1.4163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7690    1.8398    0.0932 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8035    0.2609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5709    1.3796    1.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7681    1.5997    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -0.7645    0.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4304    0.4372    0.4518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9496   -2.0772    0.3306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4699   -2.5155   -1.3011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8623   -2.3540   -1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2472   -1.0452   -2.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2866    0.2787   -0.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9254   -0.0861   -1.7598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8832    1.1648   -0.7086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9617   -1.9513    0.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4153    1.3067   -1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2616   -0.3437    2.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7172    2.9027   -0.1236 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9041   -1.7739    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1428    2.0843    1.7344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3267    2.5293   -0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4917    0.4671    0.6798 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2867    3.6079   -0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7705    2.7669   -0.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2  9  2  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 27  1  0  0  0  0
  4 13  1  0  0  0  0
  4 36  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 28  1  0  0  0  0
 11 15  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 18  1  0  0  0  0
 14 17  2  0  0  0  0
 14 30  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 16 19  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 18 20  2  0  0  0  0
 18 34  1  0  0  0  0
 19 20  1  0  0  0  0
 20 35  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
63257249

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
92
66
16
41
86
70
10
31
81
52
24
68
26
21
88
37
54
46
51
73
83
28
18
63
72
4
45
87
75
14
90
56
55
69
78
42
50
60
80
7
61
47
40
35
3
91
8
39
32
67
25
58
30
12
65
15
23
74
71
93
34
77
13
89
36
48
79
59
17
62
57
5
33
44
49
19
76
85
11
53
27
82
6
2
29
9
22
20
43
38
84
64

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
30
1 -0.19
10 -0.15
11 -0.15
12 0.12
13 0.1
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 0.19
2 -0.57
20 -0.15
27 0.37
28 0.15
29 0.15
3 -0.55
30 0.15
31 0.15
32 0.15
33 0.15
34 0.15
35 0.15
36 0.4
37 0.4
4 -0.9
6 0.14
7 0.06
8 -0.14
9 0.57

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
6
1 2 acceptor
1 3 donor
1 4 cation
1 4 donor
6 12 13 16 18 19 20 rings
6 8 10 11 14 15 17 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
3

> <PUBCHEM_CONFORMER_ID>
03C53AA100000001

> <PUBCHEM_MMFF94_ENERGY>
61.4154

> <PUBCHEM_FEATURE_SELFOVERLAP>
30.449

> <PUBCHEM_SHAPE_FINGERPRINT>
105312 117 16056880243346422253
10906281 52 18115027545678169008
10912923 1 18341886445840198494
11089746 13 16702008773453143970
11370993 144 18186239519972693051
11405975 8 18336543919020104858
11545043 162 16298658421750416085
12107183 9 18268143167491269690
12236239 1 18272931635040107442
12596602 18 18040719186327982449
12616971 3 18412824698486253151
13073987 5 18341044232939523498
13167372 99 18343303639113669648
13398642 44 17245001675992537957
13785724 45 18052822438760846790
14251758 9 18272371927871442974
14251764 30 15647048231859008106
14251764 75 17755876551515396028
14341114 176 18187086147904354781
14849402 71 18189056559379913860
15183329 4 18342453738274146198
15188451 53 16371297739935502771
15348495 7 17967820478579104625
15475509 8 18341629083706186636
15880784 105 14924237057571279493
17844677 252 18335423469331432039
18222031 100 14057002749719850063
19784866 9 18342455924207115674
20281389 69 18273493481381937273
21315759 148 16588026800910954177
2303208 19 16298381332151949482
23198884 109 13902193660708618617
23559900 14 17417828213920193254
312425 54 17240206513094931177
3680242 22 18341058449170529817
38570 142 17534369974133597620
5104073 3 18337101375889696698
5283173 99 12175355672935447467
54446538 1 18412542141488955229
633830 44 18341894125452766222
7226269 152 17704353260115904505
7495541 125 12685090402102315758
960060 61 11024112048767958850
9996256 80 18341894138685859615

> <PUBCHEM_SHAPE_MULTIPOLES>
388.49
15.9
2.21
1.05
1.42
0.57
-0.11
3.85
-5.3
-0.56
0.22
0.98
-0.08
-1.46

> <PUBCHEM_SHAPE_SELFOVERLAP>
818.79

> <PUBCHEM_SHAPE_VOLUME>
217.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$