67934
  -OEChem-10101915303D

 64 64  0     0  0  0  0  0  0999 V2000
    1.0748   -1.3335   -0.6726 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.2540    1.6525   -1.7108 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.9860   -0.9093    0.0194 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    2.0903   -0.9773 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.6422   -3.5635    3.3377 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3875    3.1648 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8295   -2.6413    1.7581 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.4688    1.9256   -1.0964 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2375    1.9139    0.7083 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.2899    3.6819   -0.5669 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0975   -6.0410   -0.2597 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6847   -4.9928   -2.1316 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5575   -4.6395   -1.0717 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9128    3.8446    1.7827 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1758    5.1589    1.6125 F   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0817    3.3816    2.8726 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396   -0.0234   -1.7043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3417   -1.1724    0.2084 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1251    2.2230   -0.9484 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2262    0.4726   -0.8978 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5426   -1.4306    0.5003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7815    2.2958   -0.8208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7897   -2.3821   -0.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5301    3.0344    0.4747 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0447   -2.9272   -1.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3276    2.2783   -3.4833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7956   -0.7220    1.7072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4841    2.8526   -2.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4853   -2.5626    1.5304 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1208    1.8028   -1.3767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5977   -3.7301   -0.1304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0603    3.0513    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6799   -2.5380    2.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2917    2.3307   -0.5744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2353   -4.8639   -0.9058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5652    3.8700    1.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6167   -0.4719    1.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4541   -1.5310   -0.1004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7010    2.0121    0.2352 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7565    3.3916   -0.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3869   -2.4433   -1.8497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8616   -2.1736   -0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1607    4.0656    0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1298    2.6062    1.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8981   -3.7928   -1.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9870   -3.0579   -2.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2309   -2.9065   -2.4031 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2263    1.9108   -3.9869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3422    3.3718   -3.5046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4568    1.9342   -4.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6371   -1.6179    2.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8725   -0.5623    1.6015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3721    0.1316    2.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0669    2.3554   -3.4339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.7509   -2.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    3.9160   -2.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5695   -2.4865    2.1291 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4526   -3.5343    1.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1572    0.7072   -1.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2368    2.1204   -2.4197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5311   -3.9473   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0376   -3.6993    0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4789    3.4694   -0.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4459    2.0285    0.6276 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 21  1  0  0  0  0
  1 25  1  0  0  0  0
  2 17  1  0  0  0  0
  2 19  1  0  0  0  0
  2 22  1  0  0  0  0
  2 26  1  0  0  0  0
  3 18  1  0  0  0  0
  3 20  1  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 24  1  0  0  0  0
  4 28  1  0  0  0  0
  5 33  1  0  0  0  0
  6 33  1  0  0  0  0
  7 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 34  1  0  0  0  0
 10 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 35  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 36  1  0  0  0  0
 16 36  1  0  0  0  0
 21 29  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 30  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 31  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 32  1  0  0  0  0
 24 43  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
 27 51  1  0  0  0  0
 27 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 29 33  1  0  0  0  0
 29 57  1  0  0  0  0
 29 58  1  0  0  0  0
 30 34  1  0  0  0  0
 30 59  1  0  0  0  0
 30 60  1  0  0  0  0
 31 35  1  0  0  0  0
 31 61  1  0  0  0  0
 31 62  1  0  0  0  0
 32 36  1  0  0  0  0
 32 63  1  0  0  0  0
 32 64  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
67934

> <PUBCHEM_CONFORMER_RMSD>
1.4

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
32
1 0.76
10 -0.34
11 -0.34
12 -0.34
13 -0.34
14 -0.34
15 -0.34
16 -0.34
17 -0.59
18 -0.59
19 -0.59
2 0.76
20 -0.59
21 -0.08
22 -0.08
23 -0.08
24 -0.08
25 -0.08
26 -0.08
27 -0.08
28 -0.08
3 0.76
33 1.02
34 1.02
35 1.02
36 1.02
4 0.76
5 -0.34
6 -0.34
7 -0.34
8 -0.34
9 -0.34

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
13.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
36

> <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>
0001095E00000001

> <PUBCHEM_MMFF94_ENERGY>
20.3383

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10930396 42 17254807177151392048
12422481 6 17968670315005343300
12608794 3 18047453544355054749
12633257 1 18121768440244480992
12788726 201 18201151135850460701
14068700 675 17974563907677749172
14784336 7 17831573546193886634
15420108 30 18410583872408805492
15664445 248 8139218899023985743
19319366 153 16736971005564866518
20028762 73 17902225951835158446
21033648 29 17984977094494322227
24180151 40 18263913505304354578
283562 15 18118964943202207764
5171179 24 15529362764652125007
9896288 288 18271251624570549388

> <PUBCHEM_SHAPE_MULTIPOLES>
702.95
10.96
8.45
3.01
6.87
7.44
-1.2
-7.87
-6.16
-9.04
0.07
0.53
-0.13
-8.29

> <PUBCHEM_SHAPE_SELFOVERLAP>
1343.754

> <PUBCHEM_SHAPE_VOLUME>
432.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$