159046
  -OEChem-10101915503D

 50 49  0     0  0  0  0  0  0999 V2000
    4.8013   -0.0072   -0.0574 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -4.8014   -0.0068    0.0578 Si  0  0  0  0  0  0  0  0  0  0  0  0
    4.9595   -1.4212   -0.9519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0550    1.3043   -1.0764 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9779   -0.0044    1.1429 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9710   -1.4194    0.9521 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0427    1.3067    1.0771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9788    0.0064   -1.1415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5885    0.1048    0.4868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5882    0.0684   -0.4897 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9278    0.0823   -0.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9270    0.0576    0.2519 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1056    0.0772    0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1056    0.0630   -0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8242   -2.6763   -0.3011 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0026    2.6208   -0.5460 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3506   -0.0631    0.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8473   -2.6756    0.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9793    2.6229    0.5469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3518   -0.0403   -0.7790 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5291   -0.7573    1.1625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5260    1.0073    1.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5142   -0.8235   -1.1237 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5406    0.9414   -1.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9932    0.9547   -0.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9713   -0.8074   -0.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9758   -0.8297    0.8962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9861    0.9327    0.9118 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0006   -0.7740    1.4102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0557    0.9782    1.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0081   -0.7888   -1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0490    0.9637   -1.3508 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0112   -3.4624   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8087   -2.8129    0.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560   -2.7906    0.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2368    3.3212   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7434    2.7619    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9994    2.8573   -0.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9444   -0.0515    1.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6398    0.8059    0.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5796   -0.9886    0.2421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0402   -3.4602    1.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8333   -2.8209   -0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5809   -2.7836   -0.5055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2067    3.3251    1.3548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7194    2.7706   -0.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9743    2.8506    0.1753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9463   -0.0234   -1.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6329    0.8311   -0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5884   -0.9640   -0.2396 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
  2  8  1  0  0  0  0
  2 14  1  0  0  0  0
  3 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 12  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 14  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 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
 17 39  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
159046

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
3
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 0.97
13 -0.08
14 -0.08
15 0.28
16 0.28
17 0.28
18 0.28
19 0.28
2 0.97
20 0.28
3 -0.58
4 -0.58
5 -0.58
6 -0.58
7 -0.58
8 -0.58

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
13

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
4 9 10 11 12 hydrophobe

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
00026D4600000001

> <PUBCHEM_MMFF94_ENERGY>
23.5637

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10638233 991 18341333378585789845
11287383 113 18334015020954019970
11315181 36 18334013913290398609
12091667 2 17846494837963227625
13533116 47 18272652316648656234
14251764 18 15841547491888973366
14251764 46 18410571786128215072
15183329 4 18408890624401946316
17093844 174 18407755933156004465
17844677 252 18410865355759542833
19489759 90 18272650139321582049
20281389 69 17918273130278156737
21150785 3 16128369402230222357
23081809 10 17988928851201065969
23198884 109 18410293589145286305
23402539 116 16805038532393709351
23559900 14 18339355383828222665
3004659 81 18130509639738039342
4073 2 18188214298516778058
542803 24 18411140233650565133

> <PUBCHEM_SHAPE_MULTIPOLES>
412.8
22.67
2.32
1.07
0
0.17
0
0.12
0.01
0
0
0
-0.07
-0.37

> <PUBCHEM_SHAPE_SELFOVERLAP>
741.842

> <PUBCHEM_SHAPE_VOLUME>
267.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$