82126
  -OEChem-10101916233D

 30 29  0     0  0  0  0  0  0999 V2000
    1.4734   -0.5392    0.0850 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.4979   -0.5197    0.0788 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163   -0.8527    0.8511 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030   -0.6169    1.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8881   -1.8748   -1.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8330   -0.5516    1.4212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9611   -1.8197   -1.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662    1.1145   -0.6943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5179    1.1474   -0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9593    2.2355   -0.0813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8637    2.2772   -0.0566 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0233   -1.7636    1.3078 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7873   -0.3893    1.0117 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5908    0.0978    2.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397   -1.6195    1.8684 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9083   -1.7464   -1.5406 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8160   -2.8676   -0.7119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2086   -1.8397   -2.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8068   -0.2848    0.9997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9092   -1.5539    1.8535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5965    0.1508    2.2259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2786   -1.8021   -2.0416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293   -2.8204   -0.7456 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9743   -1.6478   -1.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3109    1.1551   -1.7486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2611    1.1882   -1.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9992    3.1690   -0.6336 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2416    2.2664    0.9655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8635    3.2177   -0.5984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1453    2.3082    0.9903 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  1  8  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  2  0  0  0  0
  8 25  1  0  0  0  0
  9 11  2  0  0  0  0
  9 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
M  END
> <PUBCHEM_COMPOUND_CID>
82126

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
10
5
7
9
8
3
4
6
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
18
1 0.74
10 -0.3
11 -0.3
12 0.36
2 0.74
25 0.15
26 0.15
27 0.15
28 0.15
29 0.15
3 -1.05
30 0.15
4 -0.08
5 -0.08
6 -0.08
7 -0.08
8 -0.38
9 -0.38

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
000140CE00000001

> <PUBCHEM_MMFF94_ENERGY>
10.368

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
10980938 120 18194700360859089433
12423570 1 9259242495615031211
12524768 44 18265063585776996031
12696612 119 18333169470584363360
14251711 518 18336548304038957949
14648413 74 18339088077173128900
14817 1 17753896008401643062
15775835 57 18197505236211695160
15852999 172 17414966128944087311
161256 15 18263667158617263797
16945 1 18412826884476933287
19973954 147 18335704922701625673
20082192 1 18272090487053945242
20653091 64 17603307050954978928
21501502 16 18335696161105582884
21524375 3 17834397096386139904
22802520 49 18336843995309965133
23235687 12 18343585174088157315
23557571 272 17916570046627073123
2748010 2 18052821342757274007
5084963 1 18131066064966283382
66348 1 17689716355057873236

> <PUBCHEM_SHAPE_MULTIPOLES>
257.82
4.19
2.45
1.38
0.02
1.11
-0.22
-0.27
-0.89
-0.04
0.72
0.01
-0.54
-0.04

> <PUBCHEM_SHAPE_SELFOVERLAP>
449.59

> <PUBCHEM_SHAPE_VOLUME>
169.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$