62467
  -OEChem-10091913053D

 40 40  0     1  0  0  0  0  0999 V2000
    2.2794   -0.4269   -0.3883 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -6.5373   -0.3020    0.2686 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9619    0.0781    0.0872 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4847    1.2095   -0.7003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5808   -0.9974    0.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3145    0.4255    0.0965 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6812   -0.7224    0.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9479   -0.3262   -1.0378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5902   -0.1995   -0.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1497   -0.1346    0.8382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8211   -0.4409    0.7567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1319   -1.3665   -2.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6192    2.1174    0.3838 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8900   -0.9256   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7883    3.5007   -0.1435 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8671   -1.4893    0.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3539    1.5058    0.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7861   -0.2571    1.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822   -1.8009    0.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4959   -1.2529   -1.3665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4375    0.2435   -1.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7391   -0.6776   -1.0843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5047    0.8751   -0.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2813   -1.2091    1.0148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0669    0.3674    1.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9522   -1.5157    0.9288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7057    0.0612    1.7244 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0330   -1.2325   -2.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9967   -2.4358   -1.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2773   -1.0052   -2.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4919    1.8523    0.9936 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7264    2.0815    1.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1532    0.1173   -0.2576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9424   -1.4990   -0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6724    3.5684   -0.7866 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9303    3.7920   -0.7589 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8942    4.2247    0.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8870   -1.4488    0.5390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6267   -2.5314    1.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8376   -0.9385    1.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  7  9  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 11  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
62467

> <PUBCHEM_CONFORMER_RMSD>
1

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 0.76
10 0.38
11 0.28
12 -0.08
13 0.28
14 0.28
17 0.1
2 -0.3
20 0.1
21 0.1
3 -0.56
4 -0.58
5 -0.58
6 -0.05
7 -0.08
8 -0.05

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 2 acceptor
1 3 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
0000F40300000001

> <PUBCHEM_MMFF94_ENERGY>
14.6769

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
11089746 13 18333446534998867619
12166972 35 18131068221145322688
12616971 3 18201719574640210669
13073987 5 15625949690496814851
13836976 161 17775851219878370270
14170010 4 18410570713067224144
14251718 22 13973959900854834331
14863182 85 16558757793332812022
15242439 84 17603307046617930659
17834072 33 18273215339753418455
17834076 25 8718822098367094491
17844677 252 18409737257736689185
18006028 8 18334574595685931330
18222031 100 18271815584221196878
20369508 70 18261110755654916858
20645477 70 18343308080209885493
21054139 6 18131058351706628455
212847 35 18040442091885408996
21315763 129 18410573968583868997
22224240 67 17632285771233474938
23402539 116 18342452613193193959
23557571 272 16271935865426669208
23559900 14 17458069291255378193
23622692 88 18413387635955939694
3060560 45 17988097667987482668
4340502 62 15985100803948580150
5104073 3 18336557122081694563
59755656 215 16878221961397571411
621550 34 11455894633257000514
67856867 119 18201715210310126001
9999458 23 18186799201709183658

> <PUBCHEM_SHAPE_MULTIPOLES>
324.01
14.74
2.22
1.18
21.78
3.02
0.43
-3.49
-1.28
-4.22
0.23
-0.4
-0.47
-0.42

> <PUBCHEM_SHAPE_SELFOVERLAP>
591.241

> <PUBCHEM_SHAPE_VOLUME>
207.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$