60841541
  -OEChem-04252412303D

 34 34  0     0  0  0  0  0  0999 V2000
    0.7376   -1.7207   -0.1476 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    2.7332   -0.7113 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4507    0.2867    0.1260 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6749   -0.3885   -0.0419 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2264   -0.4765    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9447    0.3469    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4643    0.4151    0.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6881   -0.5060    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8016   -0.1320    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8412    0.7889    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0870   -1.4856   -0.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1663    0.3564    0.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5652    2.2448    0.3978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4122   -1.9182   -0.1538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4519   -0.9971   -0.0258 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8629    0.4524    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2560   -1.2250    0.8089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2206   -1.0301   -0.9414 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9236    0.8701    1.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9129    1.1015   -0.6729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4660    0.9523    1.0350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4225    1.1598   -0.7255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023    1.2844    0.2540 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6583   -0.9033   -0.9219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3440   -2.2622   -0.2100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9887    1.0601    0.2516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9967    2.4092    1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4902    2.8273    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361   -2.9719   -0.2934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4836   -1.3341   -0.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9294    0.9965    0.9494 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8787    1.1697   -0.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7561   -0.1747   -0.0803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6462    3.6747   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2 13  1  0  0  0  0
  2 34  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 23  1  0  0  0  0
  4  7  1  0  0  0  0
  4 16  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 31  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
60841541

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
22
1 -0.57
10 -0.14
11 -0.15
12 -0.15
13 0.42
14 -0.15
15 -0.15
16 0.27
2 -0.68
23 0.37
24 0.36
25 0.15
26 0.15
29 0.15
3 -0.55
30 0.15
34 0.4
4 -0.9
6 0.06
7 0.27
8 0.57
9 0.12

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
7
1 1 acceptor
1 2 acceptor
1 2 donor
1 3 donor
1 4 cation
1 4 donor
6 9 10 11 12 14 15 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
03A05E4500000001

> <PUBCHEM_MMFF94_ENERGY>
32.9334

> <PUBCHEM_FEATURE_SELFOVERLAP>
35.523

> <PUBCHEM_SHAPE_FINGERPRINT>
10680689 15 18410017636852972842
10912923 1 18040713658989752960
11315181 36 18113901593508720552
12107183 9 17686048397795924458
12236239 1 17967249802232750978
12390115 104 17986125023731472561
12403259 415 17989198261994593728
13167823 11 18335979792652008330
13288520 33 18341050800297745599
13403585 85 18341889719253942568
13897977 58 18410013225784455081
15042514 8 18268149953597983279
17834072 33 18334577979845587588
17844677 252 18341901792575816512
18927931 339 18411706512356790839
19433438 28 18272083924997882640
19489759 90 18407759240227899330
20300324 65 18410576197128284417
20645477 56 18341051822230982273
20645477 70 16988291863711098206
21267235 1 18338240474500097155
21426921 1 18410855451897183181
2297311 6 18343309179579127276
2306618 200 18202290186541072801
23402539 116 18410569617486462871
23557571 272 18201726132665284124
23559900 14 18342167903658022104
3545911 37 18412826875934399826
4214541 1 18412263909186237720
42788 4 18413108377461616530
5104073 3 18339645521084082946
573450 72 18262226738535001338
58051976 378 18413390921094159814
6327066 14 18044932364562635205

> <PUBCHEM_SHAPE_MULTIPOLES>
307.57
12.64
2.02
0.64
24.51
0.92
-0.01
-0.18
0.12
-2.67
-0.22
-0.1
0.09
-0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
616.751

> <PUBCHEM_SHAPE_VOLUME>
181

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$