102856
  -OEChem-10101916183D

 44 44  0     1  0  0  0  0  0999 V2000
   -2.0494    0.0151   -0.0256 Si  0  0  0  0  0  0  0  0  0  0  0  0
    6.7767    0.1822    0.3873 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2221   -0.3034    0.0873 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3325    0.0665    1.0546 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2173   -1.3227   -1.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837    1.4034   -0.9666 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5880   -0.4553   -0.0977 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.1324    0.7867   -0.7415 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4274   -0.3956    0.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4351   -0.0729    0.9313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8329   -0.1259    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0844   -0.2439    0.9367 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6610    0.1360    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2400   -2.6235   -0.4533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9878    2.6750   -0.3412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6195    0.1711    1.6959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3969   -3.6374   -1.5339 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0408    3.7446   -1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6848   -1.3977   -0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6182    1.7254   -0.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6185    0.6913   -1.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4123   -1.3039    1.4481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5090    0.4709    1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822    0.7930    1.6017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4716   -0.9588    1.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9116    0.7685   -0.5554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960   -0.9747   -0.6192 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0368   -1.1528    1.5477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.6252    1.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7899    1.0395   -0.0532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8760   -0.7385   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3049   -2.8168    0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0746   -2.7134    0.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8151    2.8134    0.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0423    2.7566    0.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6535    0.2246    1.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4274    1.0348    2.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5122   -0.7197    2.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4169   -4.6520   -1.1256 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5762   -3.5693   -2.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3226   -3.4703   -2.0951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9681    4.7381   -0.9254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9741    3.6898   -1.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2249    3.6304   -2.0991 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 10  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  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 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  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
 13 16  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 17  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 18  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
M  END
> <PUBCHEM_COMPOUND_CID>
102856

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
14
21
19
11
9
3
18
13
6
12
16
2
17
10
8
7
5
15
20

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
17
1 0.97
10 -0.08
12 0.28
13 0.28
14 0.28
15 0.28
19 0.1
2 -0.3
20 0.1
21 0.1
3 -0.56
4 -0.58
5 -0.58
6 -0.58
7 -0.05
8 -0.05
9 0.38

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
12.6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 2 acceptor
1 3 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
000191C800000001

> <PUBCHEM_MMFF94_ENERGY>
16.0374

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10680689 15 18409726266545886282
11315181 36 14979960285249914138
12596602 18 16732701636622278824
12616971 3 18186800314332397798
12916748 109 18113905936021324392
13073987 5 17822287930321944256
14508225 48 18125139770591735063
17844677 252 18115032901212022512
18006028 8 17967537887422710329
19489759 90 10809336750555281626
20645477 56 18342734087716314912
20681677 155 18131633391539060330
220451 1 18411982464902331586
23402539 116 17967812777623855146
23557571 272 18201722830083424788
23559900 14 17632570595988784466
23598288 3 18116133498918021819
531348 171 18264486196755715154
58051976 100 18130503123818976994
59755656 520 17131834235939984895
633830 44 16128360585258326594

> <PUBCHEM_SHAPE_MULTIPOLES>
359.3
13.7
3.21
1.38
26.54
0.35
-0.03
0.64
3.02
-4.84
-2.79
-1.37
-0.08
-0.63

> <PUBCHEM_SHAPE_SELFOVERLAP>
661.927

> <PUBCHEM_SHAPE_VOLUME>
227.9

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$