83204
  -OEChem-10101915133D

 45 44  0     0  0  0  0  0  0999 V2000
   -1.0479    1.6293    0.3656 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.8038   -0.9538   -0.1625 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.0416    1.3876   -0.2603 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.0660   -1.7615    0.0939 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4789    0.0301    0.1181 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6149    1.7272    0.5522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0769   -0.2471   -0.6141 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6651   -1.9376    0.9915 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9190    2.2884    1.8988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5870    2.6945   -1.0883 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6895   -0.4732   -1.7503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0325   -0.8390    1.2580 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2531   -2.7469   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5174    1.8656    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1193    2.4040   -1.8407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1387   -3.0815   -1.2441 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5718   -1.9859    1.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039    2.2858    1.7607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6793    1.6718    2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6023    3.3149    2.1058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2206    3.7185   -0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1962    2.2940   -2.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6781    2.7276   -1.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0876    0.5430   -1.6791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0025   -0.5153   -2.6005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5227   -1.1543   -1.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4405    0.1727    1.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8644   -1.5322    1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5475   -1.0901    2.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8372   -3.1062    0.6285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1013   -3.3859   -0.5796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4913   -2.8500   -1.0948 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158    2.9419    0.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4867    1.3436    1.7637 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4539    1.6082    0.2999 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0240    3.4707   -1.6180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0729    2.2429   -2.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3142    2.1201   -2.5242 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0513   -2.9776   -1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1277   -4.0809   -0.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2789   -2.9937   -1.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5563   -1.2701    2.0225 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5911   -2.9949    1.6183 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4929   -1.8338    0.6254 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5306   -2.7785    1.4600 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  8 45  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  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
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
 17 44  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
83204

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 0.76
10 -0.08
11 -0.08
12 -0.08
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.08
2 0.54
3 0.76
4 0.76
45 0.4
5 -0.59
6 -0.59
7 -0.59
8 -0.7
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
0001450400000010

> <PUBCHEM_MMFF94_ENERGY>
-2.9914

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12553582 1 18343306972082267535
12788726 201 17846787282566526873
13140716 1 17906455785160615848
14178342 30 18054229010167965555
1420 336 18194967339941666579
14223421 5 18411419488313572796
14251757 17 17751614621196481309
14787075 74 17841985886970844872
15375462 189 18268438004348153867
16945 1 18127983094597134105
17492 54 17321548623223940877
20600515 1 17759192459345458467
20645477 70 18411125957574945039
20905425 154 18339077189573438854
21285901 2 18117250680484281517
21421861 104 18341626905334977569
21524375 3 17832141993589766182
21634736 98 18336558161263488262
23184049 29 18339079281090402680
2334 1 18195247706748230078
23402539 116 18124593339045837620
23419403 2 16756270690038177561
23526113 38 17969762237984258127
23557571 272 17916855812334505042
23558518 356 18334582317319685473
23559900 14 18339908351797716896
23598288 3 18059857221191014093
23598291 2 18121522175177567332
2748010 2 17908144282786224783
34934 24 18059580251719490401
81228 2 18123184602420216363

> <PUBCHEM_SHAPE_MULTIPOLES>
399.23
6.57
4.06
1.66
1.65
0.58
-0.14
2.09
0.41
-1.58
-0.44
0.37
-0.49
-0.7

> <PUBCHEM_SHAPE_SELFOVERLAP>
682.159

> <PUBCHEM_SHAPE_VOLUME>
267.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$