5366448
  -OEChem-04262412183D

 27 26  0     0  0  0  0  0  0999 V2000
   -2.1530   -0.3857    0.0567 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.1606    0.5833   -0.8807 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2055   -0.8633   -0.2011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7074    0.5077    1.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2848   -1.9802    0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6971   -0.8509   -0.9207 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0068    1.0542   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1383    0.2045   -0.6808 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0739    2.2266    0.2676 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1683   -0.0370    0.1372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4101   -0.4594    0.4295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8542    0.7231    2.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1986    1.4522    1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4158   -0.1088    2.1797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9126   -2.5070   -0.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4396   -1.7742    1.2169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9771   -2.6424    1.0823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2504    0.0470   -1.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4244   -1.3972   -1.8284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3558   -1.4847   -0.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180   -0.2866   -1.6517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8155    2.8276    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0118    2.6229    0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2505    0.3890    1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3423   -0.5767    1.5167 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6629    0.5757    0.1734 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2164   -1.1052    0.0692 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  2  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  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 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
M  END
> <PUBCHEM_COMPOUND_CID>
5366448

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
16
17
23
12
18
19
15
13
21
22
20
5
8
24
14
9
10
7
2
6
3
11
4

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
15
1 0.54
10 -0.07
11 0.28
2 -0.37
21 0.15
22 0.15
23 0.15
24 0.15
3 -0.36
4 -0.08
5 -0.08
6 -0.08
7 0.08
8 -0.15
9 -0.3

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
1
1 3 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
0051E2B000000001

> <PUBCHEM_MMFF94_ENERGY>
27.1378

> <PUBCHEM_FEATURE_SELFOVERLAP>
5.074

> <PUBCHEM_SHAPE_FINGERPRINT>
10130415 120 18335423486395308548
12382932 28 18340497698303446514
13296909 8 16773799182097317409
14577589 140 18040720229788672485
15375462 189 18113624486408307354
15375462 478 17131832092529816457
17834072 14 18339628053362087169
17841504 4 18200033000580110433
18186145 218 11963388578785105102
20201158 50 18335136496807580198
20211469 26 18201715171581456734
20281407 28 18113899381352617258
20645476 183 14996274830092420043
20711985 327 18272373091791801108
20711985 344 17532072935002121357
21028194 46 10880005665412035038
21061003 4 18411419509830938568
21119208 17 15864065460130015910
23402539 116 18060126644304940943
23419403 2 17201325621500163081
75552 356 18410296912711553674
81228 2 18196387939087617936

> <PUBCHEM_SHAPE_MULTIPOLES>
232.85
6.37
1.74
1.12
5.69
0.37
0.23
-2.6
0.42
-0.27
0.22
-0.87
0.07
-0.36

> <PUBCHEM_SHAPE_SELFOVERLAP>
419.602

> <PUBCHEM_SHAPE_VOLUME>
151.1

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$