28838
  -OEChem-10101916243D

 47 46  0     0  0  0  0  0  0999 V2000
    0.0024    0.0027    0.3655 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.8823    1.1894   -0.1805 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -2.4784    1.8936   -0.1736 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.4133   -3.0809   -0.1791 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.2196    0.9983   -0.2055 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.5633   -0.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2556   -1.5448   -0.2214 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0188   -0.0190    2.2409 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    2.7003   -1.1722 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4770    1.4099    1.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7373   -0.3215   -0.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0326    1.5908   -1.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9896    2.2905    1.5921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5921    3.3930   -0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6167   -4.2798   -1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -3.7107    1.5919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1651   -3.0751   -0.8645 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9180   -0.5161    2.6160 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.9995    2.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8533   -0.5523    2.6302 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9400    3.6042   -0.7625 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4869    2.8250   -1.1469 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0893    2.5992   -2.2161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2695    0.5149    2.1839 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555    1.5918    1.6129 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9749    2.2603    2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4143   -0.4866   -1.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8230   -0.1880   -0.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4991   -1.2164   -0.3230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6870    2.4671   -1.1626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5874    0.7347   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7756    1.3823   -2.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863    1.4303    2.0505 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1173    2.5486    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6817    3.1375    1.6103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760    3.1999   -1.9133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7049    3.6342   -0.2913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2521    4.2654   -0.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854   -5.2845   -1.1662 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6577   -3.9567   -2.2443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6395   -4.3301   -0.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8485   -4.7381    1.6208 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5243   -3.6959    2.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1350   -3.0893    2.2026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1719   -2.7135   -1.8969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5873   -4.0843   -0.8500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8109   -2.4241   -0.2679 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  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3  6  1  0  0  0  0
  3 12  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 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
28838

> <PUBCHEM_CONFORMER_RMSD>
0.8

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
17
1 0.97
10 -0.08
11 -0.08
12 -0.08
13 -0.08
14 -0.08
15 -0.08
16 -0.08
17 -0.08
2 0.54
3 0.54
4 0.54
5 -0.59
6 -0.59
7 -0.59
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
6

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
000070A600000001

> <PUBCHEM_MMFF94_ENERGY>
-2.2126

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
11578080 2 17197426941819180953
116883 192 18051972820581309598
11833330 49 17905030800858271152
121448 382 18200574978361238501
12160290 23 18266458891564876137
12553582 1 17474112480529048134
12788726 201 17975125753950818074
13004483 165 17978792642557220978
13681431 1 17545882624773356865
14251757 5 17975977888389503119
14648413 74 17614844011659410389
15502722 9 18049444747049075965
1813 80 17187573178930316082
18186145 218 18270966739232056236
18785283 64 17977689531656953065
20600515 1 17114606190097217865
20645477 70 17903632983010376133
21285901 2 17983865754690182535
21524375 3 18410571743189286585
2255824 54 17980478958555247551
23419403 2 16979900442064459367
23526113 38 17489576896640334008
23557571 272 17981313801403371048
23558518 356 18336820983255514362
23559900 14 17547266927905499141
23598288 3 18045215196547699690
26353 1 17474106978153274151
3060560 45 18263918839543102964
352729 6 18410573989446418461
458136 41 18196673812174117441
7164475 11 18193268826826531772
7364860 26 17835235649715975269
81228 2 18122343746438693259

> <PUBCHEM_SHAPE_MULTIPOLES>
405.1
5.85
5.82
1.73
2.41
6.1
-0.82
-6.17
1.22
-2.44
1.23
0.01
0.01
-0.01

> <PUBCHEM_SHAPE_SELFOVERLAP>
688.414

> <PUBCHEM_SHAPE_VOLUME>
272.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$