140291
  -OEChem-04232410013D

 40 39  0     0  0  0  0  0  0999 V2000
    0.0416    0.8106    0.5528 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.8216   -0.4933   -0.2154 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -0.8215   -0.1632 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5801    0.6224   -0.0813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9803   -0.3086   -0.1595 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5986    2.5505    0.2292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0902    0.5680    2.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595    0.2548   -1.1703 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2358   -2.0273   -1.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4505   -1.0210    1.4772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7909   -2.2422   -1.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1028   -1.4186    1.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7187    0.5788   -0.6807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7137    2.9476   -1.2368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5801    2.6575    0.7040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0695    3.2595    0.7318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8253    1.2386    2.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8872    0.7810    2.8607 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -0.4618    2.6675 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0748   -0.4679   -1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401    0.5525   -2.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6432    1.1399   -0.6545 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0545   -2.7439   -1.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4237   -2.5169   -0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698   -1.7618   -2.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7798   -0.1509    2.0527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6636   -1.5300    2.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2967   -1.7069    1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5188   -1.9266   -2.3889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1537   -3.0861   -1.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8301   -2.5836   -1.3903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -2.2234    1.8856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0587   -0.6024    2.2674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1287   -1.7977    1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6497    1.4177    0.0171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4627    0.9366   -1.6818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7574    0.2350   -0.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1021    3.9677   -1.3208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2624    2.9185   -1.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3886    2.2845   -1.7864 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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
  7 17  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
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
140291

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
6
5
2
4
3

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
13
1 0.76
10 -0.08
11 -0.08
12 -0.08
13 -0.08
2 0.54
3 0.54
4 -0.59
5 -0.59
6 -0.08
7 -0.08
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
0002240300000001

> <PUBCHEM_MMFF94_ENERGY>
-2.568

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
11132069 177 17989199361168760270
11322862 65 17910123412479982781
12119455 92 12463023043203730305
12553582 1 18340771532464928126
12596599 1 17346319340308639638
12788726 201 18336266717351373984
14817 1 17111778022562505169
15852999 172 17552050932787936078
16945 1 18060706095348464681
200 152 18040719177785377154
20281407 28 18202844352927748498
20281475 54 18059860566680530134
20339313 130 18338243785555586761
20361792 2 18337954592343329531
20626108 58 18196068131448747298
20645476 183 17024576795162329357
20645477 70 17833818744827889935
20711985 344 18190161430699087545
20871999 31 18260545645538563679
21061003 4 17346590881220582688
21069387 34 16701727359212559197
21285901 2 18269833112963424461
21524375 3 16957040280957937156
22802520 49 18410009936013722681
23402539 116 18040435508090895364
23419403 2 17557950009738816729
23526113 38 17096372906684347800
23557571 272 18267572521425738160
23559900 14 18201433620033741540
23598291 2 18057054720596626933
2748010 2 18266444580987384429
603831 33 18260267434847773998
6992083 37 18202009849883630299
7364860 26 17981040035734492957
7615 1 17604431778620722640
81228 2 18265617589181931049

> <PUBCHEM_SHAPE_MULTIPOLES>
331.01
6.76
2.67
1.82
2.27
1.2
0.83
-3.32
-1.21
-1.21
-1.05
0.08
-0.07
0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
560.352

> <PUBCHEM_SHAPE_VOLUME>
223.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$