10911
  -OEChem-04162402253D

 60 60  0     0  0  0  0  0  0999 V2000
   -3.3189    0.2648    0.3536 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8338    2.1552    0.9092 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.5615   -1.9045   -1.1463 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5643    1.9060   -1.1425 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.8318   -2.1543    0.9108 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.3195   -0.2681    0.3529 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.0840    1.0678    1.1473 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7606   -1.2105   -0.2072 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0809    1.6613   -0.4043 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0782   -1.6635   -0.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7637    1.2088   -0.2062 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0836   -1.0684    1.1481 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7418   -0.0282    1.5549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9945    1.2965   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2254    2.2360    2.4636 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5240    3.8793    0.6043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5531   -1.1446   -2.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9030   -3.7444   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5564    1.1529   -2.8660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051    3.7470   -1.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5191   -3.8810    0.6144 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2313   -2.2274    2.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7448    0.0201    1.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9900   -1.3010   -1.0694 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4057   -0.6310    2.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1235    0.9235    1.9359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5605   -0.5565    1.0578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7954    0.7590   -1.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3995    2.2427   -0.6960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2087    1.5211   -1.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3762    2.5563    3.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499    1.2544    2.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472    2.9467    2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1186    3.8991   -0.3135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1634    4.1888    1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7136    4.6071    0.5042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3668   -0.0685   -2.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7714   -1.5985   -3.4828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5163   -1.3019   -3.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9501   -4.2386   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8574   -3.9018   -1.8623 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1133   -4.2185   -1.9416 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3705    0.0766   -2.8168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7744    1.6088   -3.4804 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5196    1.3125   -3.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1153    4.2231   -1.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9519    4.2372   -0.3636 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8595    3.9068   -1.8503 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1552   -4.1890    1.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7074   -4.6073    0.5141 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1167   -3.9054   -0.3013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6531   -1.2438    2.6875 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0550   -2.9357    2.3354 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675   -2.5472    3.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5642    0.5466    1.0545 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4117    0.6232    2.4020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1247   -0.9327    1.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3932   -2.2484   -0.6996 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023   -1.5231   -1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7914   -0.7653   -1.5867 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  3 18  1  0  0  0  0
  4  9  1  0  0  0  0
  4 11  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5 10  1  0  0  0  0
  5 12  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 11  1  0  0  0  0
  6 12  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 16 36  1  0  0  0  0
 17 37  1  0  0  0  0
 17 38  1  0  0  0  0
 17 39  1  0  0  0  0
 18 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
 19 43  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 21 51  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 22 54  1  0  0  0  0
 23 55  1  0  0  0  0
 23 56  1  0  0  0  0
 23 57  1  0  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 24 60  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10911

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
2
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
24
1 0.76
10 -0.59
11 -0.59
12 -0.59
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.08
18 -0.08
19 -0.08
2 0.76
20 -0.08
21 -0.08
22 -0.08
23 -0.08
24 -0.08
3 0.76
4 0.76
5 0.76
6 0.76
7 -0.59
8 -0.59
9 -0.59

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2.4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
24

> <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>
00002A9F00000002

> <PUBCHEM_MMFF94_ENERGY>
-4.926

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10708813 3 18194686956092292980
1100329 8 18338797930514743578
11244481 83 14491061374490668454
11513181 2 17843110403644770927
11578080 2 18049689048931716653
12156800 1 16457780818364521082
12422481 6 18051151202381700689
12596599 1 18338226180485219078
12788726 201 17623585550012176127
13140716 1 18338517563639595435
13583140 156 17894628124554879255
13965767 371 17547865048781663768
14787075 74 18187374254928158803
14955137 171 18261686904011358986
17980427 23 18196641012126010896
20600515 1 17417818378234211793
20764821 26 16320337857492523652
20905425 154 18124891070425959697
23419403 2 16822144562384249937
23557571 272 17488755612920393102
2818148 4 17981331397863225003
35225 105 16601035303383441039
392239 28 18058145346185306448
445580 8 18342184345077342939
463206 1 18337668741296091275

> <PUBCHEM_SHAPE_MULTIPOLES>
567.97
6.68
4.83
2.57
0
0.01
-0.6
0
1
0
-0.21
0
0
-1.72

> <PUBCHEM_SHAPE_SELFOVERLAP>
1000.023

> <PUBCHEM_SHAPE_VOLUME>
369.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$