18819
  -OEChem-10091910173D

 38 39  0     1  0  0  0  0  0999 V2000
    2.5370    0.0251    0.0507 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.0996   -0.1415   -1.4726 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4872   -0.4401   -1.2556 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8227   -1.0195    1.3352 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9898    1.5772    0.5095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5239   -1.1639   -0.6575 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.5231   -0.1886   -0.0957 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6878    0.3887    0.1441 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.0664   -1.0127   -0.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0829    0.9958    0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6611    0.8402    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2485    0.3994    0.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339   -0.0047   -0.4436 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8999   -0.4921   -1.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456   -2.4043    1.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8769    2.6409   -0.4249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8259   -2.1853   -0.8416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5374   -0.5052    0.0994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7647    1.0995   -0.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5236   -1.2525   -1.2829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7900   -1.7677    0.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7691    1.1444    1.5448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1476    1.8986    0.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3382    1.7958    1.6735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6594    0.1063    2.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1508   -0.2747    1.5179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0039    1.4059    1.0207 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5345   -1.0264   -0.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5981    0.6473   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254   -0.8132   -2.0696 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1952   -1.2199   -0.3503 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3113    0.4945   -0.8745 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8444   -2.9125    2.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1184   -2.8395    0.3575 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4744   -2.5782    1.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8304    2.8209   -0.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4718    2.4492   -1.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2636    3.5492    0.0474 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1 13  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  7 10  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
18819

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
26
75
117
33
74
12
57
76
69
78
54
100
114
77
47
71
10
6
31
38
18
40
112
56
30
80
99
28
73
64
79
44
90
89
106
121
37
62
3
35
27
115
101
9
14
124
4
51
92
25
67
81
24
116
95
41
7
91
15
98
59
55
21
5
53
60
29
19
49
109
123
107
34
46
113
8
68
96
108
65
42
103
13
36
120
66
94
23
102
118
39
52
110
104
83
45
70
72
48
82
86
22
43
32
85
50
122
16
88
58
20
2
93
87
63
111
97
84
61
105
17
119
11

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
15
1 0.97
10 0.09
13 -0.08
14 0.28
15 0.28
16 0.28
17 0.1
18 0.1
2 -0.3
3 -0.58
4 -0.58
5 -0.58
6 -0.05
7 -0.05
9 0.09

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
7

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 2 acceptor
7 2 6 7 8 9 10 11 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
3

> <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>
0000498300000001

> <PUBCHEM_MMFF94_ENERGY>
27.0384

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
10366900 7 17894636958643185280
12553582 1 18335422322680672160
12616999 72 17312825978764762130
12932764 1 18333449820147721660
13167823 11 18343303677926513655
13533116 47 18114179688605022451
15375358 24 15719115759850349538
17834072 33 17989211464623873396
18186145 218 18335419084169907137
18915474 69 17989205992286717293
200 152 17632861927382513389
20279233 1 17167858686003613609
20281475 54 18412818088816648499
20645477 56 14562537284238942295
20645477 70 18413109484930260862
2255824 54 18408324410705864184
22646028 1 18413385419325209067
23402539 116 17917714565143433764
23532345 12 17918280831022610464
23557571 272 16629970906289963545
23559900 14 17417813915673123696
23598291 2 18267306421941219738
3060560 45 18334012809446971158
312423 11 18201732776789657209
4214541 1 17918000451267848073
474 4 18116714217104082940
5104073 3 17917997200009299747
58051976 100 18410293597328954677
59682541 52 17970881454975048271
633830 44 18412267246201616981
7615 1 18342454816269012377
9971528 1 18272934912764850956

> <PUBCHEM_SHAPE_MULTIPOLES>
324.01
10.03
1.91
1.28
3.07
0.35
-0.02
-0.33
2.15
-1.95
-0.38
-0.22
-0.27
-1.1

> <PUBCHEM_SHAPE_SELFOVERLAP>
624.464

> <PUBCHEM_SHAPE_VOLUME>
200

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$