11817097
  -OEChem-10101916083D

 40 40  0     1  0  0  0  0  0999 V2000
    2.0694   -0.2149    0.7056 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.1727    1.2883   -0.3635 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.7432   -0.1416   -0.4081 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6586   -1.3677    0.7837 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8691   -1.7215   -0.2132 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8776   -1.0521   -1.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7250   -2.2519   -1.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9736    0.8933   -0.7013 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2313    1.2249    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5343   -0.7004    2.4098 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    2.0812    1.3278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4566    2.4788   -1.6672 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6170   -0.1150    0.2583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0666   -0.4014   -0.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2372   -2.4776    0.4853 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6960   -1.3576   -0.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3878   -0.5473   -2.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0976   -1.4029   -1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0947   -2.9318   -0.5068 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1153   -2.8230   -1.9449 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5426    1.8303   -0.6713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0538    0.5138   -1.7272 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9562    2.0333    1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320    0.8984    0.9665 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3272    1.6398   -0.3450 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6273   -1.3124    2.3881 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3154   -1.2896    2.9012 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3448    0.1671    3.0476 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9506    2.5308    1.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7360    2.9094    1.3717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3038    1.4014    2.1343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1491    3.3901   -1.6748 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4942    2.7669   -1.4783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025    2.0291   -2.6632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0464   -1.0532    0.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5817    0.2728    1.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6570    0.5207   -0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1150   -0.8007   -1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6078   -1.0099    1.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1092   -2.2264    0.7781 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  2 12  1  0  0  0  0
  3  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 39  1  0  0  0  0
  4 40  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 13  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 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11817097

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
14
1 0.59
10 -0.08
11 -0.08
12 -0.08
14 0.27
2 0.59
3 -0.96
39 0.36
4 -0.99
40 0.36
5 -0.08
6 0.27
8 -0.08
9 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
5

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 4 cation
1 4 donor
5 1 3 5 6 7 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
00B4508900000004

> <PUBCHEM_MMFF94_ENERGY>
15.7274

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10064457 181 17560798896000969503
10610426 29 15648151054674629688
11067466 332 18341902934177235325
11471102 22 17703214114450883598
12423570 1 14032211653232096516
12491281 212 13900473044547774472
13296908 3 18261669277460015685
13464513 79 18189055450776509403
14115302 16 15719392858545386787
14252887 29 18408609175400677027
14817 1 14352858483623058921
15501101 241 18130503063325210757
16945 1 18058146445264377540
17834072 14 18335689525855721677
19010151 120 17967812730479623600
20082192 1 17834103153071928744
20645477 70 18115589400177533663
20671657 53 17894351068693178437
20711985 344 17827640249171840405
20871998 22 18335141977449321277
21061003 4 16986300565968496598
23526113 38 18124007093268950325
23557571 272 18114731629929691845
251288 83 18334852844160851955
2748010 2 17126190271050942678
276578 36 17346589816100367362
4175511 376 17679327370477231764
81228 2 17975972068830577853
81539 233 17606689281454996165
9999458 23 17845649399210291680

> <PUBCHEM_SHAPE_MULTIPOLES>
314.58
5.72
2.45
1.78
7.35
0.53
-0.38
-3.25
-1.49
-0.57
0.67
-0.78
0
0.82

> <PUBCHEM_SHAPE_SELFOVERLAP>
572.489

> <PUBCHEM_SHAPE_VOLUME>
201.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$