62378783
  -OEChem-04262400463D

 40 41  0     0  0  0  0  0  0999 V2000
    3.0864    1.4367   -0.0788 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0937    3.1106   -0.1833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3250    1.7944    0.5385 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2912   -2.8093   -0.2813 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1931   -1.4171    0.0654 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4181    3.0538   -0.6608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6458    2.8499    0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1712    1.8047   -1.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6355    2.0151    0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5226    0.8237    0.1078 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3932    0.1050    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9843   -0.4448   -0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8953    0.9731    0.2722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8545   -1.5230   -0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3731   -0.7068   -1.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7257   -0.4385    1.2668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6800   -0.1684    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6854   -2.0621   -1.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0380   -1.7936    1.3735 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0178   -2.6055    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0795   -3.9979   -0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7346    3.3610   -1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1332    3.8708   -0.5065 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3214    2.5972    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1357    3.7813    0.9063 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4423    1.0127   -1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313    2.0262   -2.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0260    0.8731    0.8395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9239   -0.6069   -0.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3548    1.9439    0.4236 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1476   -0.3181   -2.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7423    0.1892    2.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7560   -0.1062    0.3679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2876   -2.8968   -0.1629 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6761   -2.6934   -1.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2970   -2.2168    2.3397 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2624   -3.6604    0.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8092   -3.9673   -1.1301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4358   -4.8679   -0.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6100   -4.1490    0.6313 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 11  1  0  0  0  0
  2  9  2  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4 14  1  0  0  0  0
  4 21  1  0  0  0  0
  4 34  1  0  0  0  0
  5 14  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
 10 12  2  0  0  0  0
 10 13  1  0  0  0  0
 11 15  2  0  0  0  0
 11 16  1  0  0  0  0
 12 14  1  0  0  0  0
 12 29  1  0  0  0  0
 13 17  2  0  0  0  0
 13 30  1  0  0  0  0
 15 18  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 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 20 37  1  0  0  0  0
 21 38  1  0  0  0  0
 21 39  1  0  0  0  0
 21 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62378783

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
59
81
23
62
92
49
7
68
11
57
43
14
40
89
107
58
108
48
8
101
22
44
109
54
50
110
24
31
47
37
35
90
106
66
80
77
28
63
21
95
17
74
18
83
98
103
51
38
4
65
72
41
75
61
97
85
76
12
30
46
69
6
55
64
53
71
32
25
34
15
100
56
94
67
105
16
73
52
79
29
87
2
45
84
13
60
9
93
82
102
88
91
104
27
36
70
96
19
86
10
99
78
20
42
26
3
5
33
39

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
30
1 -0.36
10 0.09
11 0.08
12 -0.15
13 -0.15
14 0.41
15 -0.15
16 -0.15
17 0.16
18 -0.15
19 -0.15
2 -0.57
20 -0.15
21 0.37
28 0.37
29 0.15
3 -0.73
30 0.15
31 0.15
32 0.15
33 0.15
34 0.4
35 0.15
36 0.15
37 0.15
4 -0.87
5 -0.62
7 0.3
8 0.28
9 0.54

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
8

> <PUBCHEM_PHARMACOPHORE_FEATURES>
7
1 1 acceptor
1 2 acceptor
1 3 donor
1 4 donor
3 4 5 14 cation
6 11 15 16 18 19 20 rings
6 5 10 12 13 14 17 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
4

> <PUBCHEM_CONFORMER_ID>
03B7D31F00000001

> <PUBCHEM_MMFF94_ENERGY>
63.4185

> <PUBCHEM_FEATURE_SELFOVERLAP>
35.521

> <PUBCHEM_SHAPE_FINGERPRINT>
10616163 171 18196660811207534951
12038231 1 17690846661722909718
12422481 6 18126592045437914697
12553582 1 18412266142210412244
12596599 1 18272666648437675602
12633257 1 18341624667820448757
13122387 1 18410856581363150118
13828863 39 16341138170060561328
15003188 105 17975690916013461022
15352361 1 18410856521328001256
15537594 2 18264226852906281961
17492 89 18337956804220643942
19026451 147 17694472125285529166
20291156 8 18336549326547356760
20403669 9 18341050726866420783
20775530 9 18411136918273273414
21315759 227 18042963370690307090
23559900 14 18343591728471813644
314173 41 18410862083247592948
339767 52 18336253579357106106
3680242 22 18337963285689556787
4283 87 18335697299224450186
463206 1 18336834194347596154
5309563 4 17256535639078178411
556388 4 18122341547610934511
602551 16 17979916008971266738
6433294 58 18195249042488165026
6823239 73 18058751164186118878
7097593 13 18410574032480572236
9795274 37 18117841229243775794

> <PUBCHEM_SHAPE_MULTIPOLES>
405.49
9.98
4.56
1.02
0.07
0.89
-0.05
6.58
-0.87
-1.29
0.5
1.21
0.1
-0.84

> <PUBCHEM_SHAPE_SELFOVERLAP>
846.364

> <PUBCHEM_SHAPE_VOLUME>
228.2

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$