25287
  -OEChem-10101915363D

 47 48  0     0  0  0  0  0  0999 V2000
   -0.7436   -0.5425    1.1406 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.6070    2.1945    0.3054 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.7909   -2.1278    0.1173 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.1569    0.6081   -0.7031 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0577    0.9772    1.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2212   -1.5531    0.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7664    1.5427   -0.7135 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543   -0.8326    0.0980 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3656   -0.3231    0.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0893   -1.2596    2.8290 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3731    3.5057    1.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7318    3.0337   -0.7173 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9807   -3.1539   -1.4476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1799   -3.2459    1.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7036    0.2686   -2.4713 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5567    1.5278    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4002    0.5073    0.6970 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6019   -0.9819   -1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5994    0.6690    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8012   -0.8199   -1.7237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7999    0.0055   -1.2071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614   -1.3814    3.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7518   -0.6063    3.4046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5668   -2.2406    2.7460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1396    3.0653    2.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8374    4.2941    0.8161 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6101    3.9614    2.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3091    3.8588   -1.2980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1875    2.3235   -1.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5166    3.4343   -0.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0091   -3.5120   -1.5507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3143   -4.0210   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7325   -2.5585   -2.3310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -4.0840    1.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1937   -3.6483    1.4953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1080   -2.6903    2.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9112   -0.2391   -3.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5947   -0.3657   -2.4832 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9392    1.2047   -2.9860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7469    2.4851   -0.3402 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4768    0.9367    0.1267 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3056    1.7232    1.2001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2727    1.0393    1.6382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8461   -1.6334   -1.4641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3769    1.3121    0.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9576   -1.3362   -2.6663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7335    0.1318   -1.7474 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  7  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  9 17  2  0  0  0  0
  9 18  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 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 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 40  1  0  0  0  0
 16 41  1  0  0  0  0
 16 42  1  0  0  0  0
 17 19  1  0  0  0  0
 17 43  1  0  0  0  0
 18 20  2  0  0  0  0
 18 44  1  0  0  0  0
 19 21  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 46  1  0  0  0  0
 21 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
25287

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
10
2
1
4
8
9
14
13
3
11
12
6
5
7

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
26
1 0.9
10 -0.08
11 -0.08
12 -0.08
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.15
18 -0.15
19 -0.15
2 0.76
20 -0.15
21 -0.15
3 0.76
4 0.76
43 0.15
44 0.15
45 0.15
46 0.15
47 0.15
5 -0.59
6 -0.59
7 -0.59
8 -0.59
9 -0.22

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
6 9 17 18 19 20 21 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <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>
000062C70000000A

> <PUBCHEM_MMFF94_ENERGY>
13.9389

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10906281 52 18188221956707411904
11370993 70 17840855592811051664
11578080 2 16880798147242748123
116883 192 17981604870851204463
12035759 4 17988935443722709679
12553582 1 18341902869847547881
12596599 1 17560258988757581334
12633257 1 16081643491403274222
12788726 201 18123477068196872184
13083527 12 18191850246505652938
13140716 1 18193279817241978928
13149001 5 17980499063323637988
13544592 271 18261682570331114562
14957384 54 14996826827631355799
15163728 17 16662365912100335406
15210252 30 17967537882358331308
15664445 248 17989209239667231852
17349148 13 18113897122632511880
17492 54 18338793519783946710
1813 80 18198052574244079019
18219364 16 18119828038296718050
192875 21 18115306662163972506
19784866 34 18334576879795954530
20600515 1 16818781108827513512
20905425 154 18266458707161110508
21285901 2 18114180804890324661
22182313 1 17976269254565224008
22393880 68 18271802475300294005
23419403 2 17026034781581589011
23557571 272 17911220742259338298
23558518 356 17899142611328382640
23559900 14 15482674533029425683
23566358 2 18191299373404143068
23598291 2 18058173830313434563
238 59 18267869569304861399
25 1 18186801400420904131
2748010 2 17975989974422296480
3060560 45 18269826661563693062
3797600 57 12966865532729215420
463206 1 18413390921173495286
474 4 18187081788670753079
59755656 215 18188771785931129611
70251023 43 18053961553590741854
7471813 234 18119800327310700882
81228 2 17689157807451342050
9981440 41 16975879807236221201

> <PUBCHEM_SHAPE_MULTIPOLES>
481.54
7.7
3.78
2.09
5.46
0.3
-0.22
0.54
3.87
-3.17
-0.87
-0.01
-0.7
-0.1

> <PUBCHEM_SHAPE_SELFOVERLAP>
906.375

> <PUBCHEM_SHAPE_VOLUME>
297.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$