24705
  -OEChem-04232407193D

 37 36  0     0  0  0  0  0  0999 V2000
    0.0173    1.1420    0.1005 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.7495   -0.4557    0.0663 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.6344   -0.5844    0.0180 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.5623    0.6398    0.5073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0276   -0.1608    0.2236 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5211    2.5321    1.2491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0170    1.8191   -1.6553 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505   -0.2633    1.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2933   -0.1620   -1.7103 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1314   -2.2265    0.2109 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8778   -2.4049    0.4259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7553    0.4248    1.1422 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1711   -0.3002   -1.7623 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1888    3.3632    1.2021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5085    2.9085    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5686    2.1779    2.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7322    2.6070   -1.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1960    1.0272   -2.3790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9984    2.2423   -1.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0347   -0.9720    0.9019 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6575    0.7493    1.1087 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9779   -0.4480    2.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1073   -0.8413   -1.9799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4632   -0.3313   -2.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6457    0.8656   -1.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8116   -2.4387    1.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2808   -2.3938   -0.4564 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9223   -2.9333   -0.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2588   -3.0293   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5971   -2.6060    1.4639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238   -2.6945    0.2889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603    0.3027    2.1884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7007    1.4877    0.8901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7953    0.1016    1.0377 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1212    0.7622   -2.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -0.8513   -2.4509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2005   -0.6393   -1.9114 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
M  END
> <PUBCHEM_COMPOUND_CID>
24705

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
4
3
2

> <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>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
0000608100000001

> <PUBCHEM_MMFF94_ENERGY>
-0.9935

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10618630 7 18411141307587444674
11132069 177 18410007724031809698
12553582 1 18411707573049760122
13296908 3 17988649622228572007
13583140 156 13542453250729138663
14252887 29 17632301202533653974
14289901 80 16343701053780449506
15375462 189 18261398857549998123
15775835 57 10159704598502405130
16945 1 18408321081594714717
17834072 14 17749374963181650532
18186145 218 18260271892570205084
19107657 46 18411136956617190970
20201158 50 18336254691543015866
20279233 1 18336253600557928159
20281475 54 18408606954744524066
20600515 1 18411135870327750656
20645477 70 17988070231509425271
20653085 51 7925617943200647412
20671657 53 18040996271357798252
20871999 31 17604146016971440007
21069387 34 17703217533882940751
232386 152 18201733876528183493
23402539 116 16877933932864567418
23557571 272 18270113509956161868
5902787 121 18337951306730174210
7364860 26 17982738776740857417
81228 2 18200602371319982256
9882013 296 16630233792695169638

> <PUBCHEM_SHAPE_MULTIPOLES>
310.43
7.09
2.36
1.62
1.39
0
-0.62
-3.03
0.57
-0.67
0.44
-0.01
0.49
-0.22

> <PUBCHEM_SHAPE_SELFOVERLAP>
521.214

> <PUBCHEM_SHAPE_VOLUME>
211.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$