90258
  -OEChem-10091917053D

 41 40  0     0  0  0  0  0  0999 V2000
    1.3335    0.0136   -0.1089 Si  0  0  0  0  0  0  0  0  0  0  0  0
    2.2845    0.6159    1.1355 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0411    1.2323   -1.2232 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1662   -1.2295   -0.8677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6183   -0.0548   -0.8337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2676   -0.7531    0.9278 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8157    0.9262    1.2323 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2810   -0.6339    0.6009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2598   -1.2200   -0.4257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5291   -1.7652    0.2238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611    1.1624    0.8349 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3634    2.4107   -0.8118 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5562   -2.3704   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2112    1.6318    2.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2287    3.3417   -1.9979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2854   -3.3345   -1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2600    0.0269    0.3400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0462   -1.3975    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7601    0.1917    1.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7761   -2.0335   -0.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5288   -0.4510   -1.1616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1730   -2.2060   -0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817   -2.5509    0.9456 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2006    0.4051    0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4610    2.0145    0.1513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6378    2.1655   -0.4370 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9249    2.9179   -0.0177 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2216   -2.0795    0.7051 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6759   -2.8740    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0502   -0.5948    1.9069 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5903    2.3872    2.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3197    0.7999    2.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1986    2.0596    1.9238 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2144    3.6014   -2.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3263    2.8568   -2.8078 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2909    4.2618   -1.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6431   -3.6387   -1.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1694   -2.8583   -1.4654 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6003   -4.2278   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5521    1.5626    0.9467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5061    0.9798    2.1968 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 17  2  0  0  0  0
  6 10  1  0  0  0  0
  6 17  1  0  0  0  0
  6 30  1  0  0  0  0
  7 17  1  0  0  0  0
  7 40  1  0  0  0  0
  7 41  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 14  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 15  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
90258

> <PUBCHEM_CONFORMER_RMSD>
1

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
3
16
10
17
31
24
21
26
14
18
5
33
13
8
25
7
23
30
4
2
12
32
6
29
9
27
19
11
34
22
20
15
28

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
1 0.97
10 0.3
11 0.28
12 0.28
13 0.28
17 0.69
2 -0.58
3 -0.58
30 0.37
4 -0.58
40 0.37
41 0.37
5 -0.57
6 -0.73
7 -0.8
8 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
11

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 5 acceptor
1 6 donor
1 7 donor

> <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>
3

> <PUBCHEM_CONFORMER_ID>
0001609200000001

> <PUBCHEM_MMFF94_ENERGY>
7.9518

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.273

> <PUBCHEM_SHAPE_FINGERPRINT>
10382601 240 18336817659077226890
116883 192 18262240989099176910
12617007 42 18115045016481458191
12633257 1 17677602232300886794
14022347 108 17749400212772118410
14178342 30 18267581505906834666
15238133 3 16733257938024146533
1601671 61 18262806284374228292
17041 49 17822848809420789361
17041 50 18114189609778879367
18186145 218 18260835869443245227
19784866 170 18409725205604678456
20388701 513 18114165415880090700
20600515 1 17240479247549280754
20645477 70 18060423495112097135
21524375 3 16888937020016554013
22182313 1 18189884340651682996
23419403 2 18126836110964503676
23557571 272 18113893811075570124
2748010 2 18262788563006381550
3250762 1 18194667182542565860
394222 165 17317899305873090612
81228 2 18042409032272797644
9971528 1 18409450267473090957

> <PUBCHEM_SHAPE_MULTIPOLES>
334.63
8.36
3.47
1.63
8.93
0.06
-0.09
-0.54
-3.81
-3.31
2.07
-1.06
1.22
1.68

> <PUBCHEM_SHAPE_SELFOVERLAP>
610.539

> <PUBCHEM_SHAPE_VOLUME>
213.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$