160192
  -OEChem-10101916263D

 40 39  0     0  0  0  0  0  0999 V2000
    2.9039   -0.0050    0.0746 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.0681    1.3560    1.0418 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0351   -1.3738    1.0346 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1357   -0.0060   -1.0648 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367    0.0067    0.1838 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0144    0.0324    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2442    0.0284   -0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2794    0.0114   -0.7034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6765   -0.0028   -0.5797 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8796    0.0014    0.3617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1933    0.0132   -0.4206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3960   -0.0183    0.5091 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0220    2.6455    0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9503   -2.6597    0.4374 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4878   -0.0295   -0.6292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0312    0.9218    0.7549 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0433   -0.8409    0.7762 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2141    0.9125   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1957   -0.8427   -1.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2909   -0.8785   -1.3446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3079    0.8949   -1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249    0.8819   -1.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7208   -0.8910   -1.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4002   -0.8087    0.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8373    0.8809    1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8477   -0.8845    1.0088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2361   -0.8536   -1.0905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2456    0.9109   -1.0475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3914   -0.9224    1.1263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3240   -0.0080   -0.0711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4010    0.8516    1.1735 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1991    3.3865    1.2341 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0366    2.8451    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8026    2.7659   -0.3108 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1066   -3.4081    1.2204 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7261   -2.7997   -0.3234 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9591   -2.8285    0.0031 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1298   -0.0252   -1.5154 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7054   -0.9390   -0.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7287    0.8575   -0.0331 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  7  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 24  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 12 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
160192

> <PUBCHEM_CONFORMER_RMSD>
0.8

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
12
1 0.97
13 0.28
14 0.28
15 0.28
2 -0.58
24 0.36
3 -0.58
4 -0.58
5 -0.9
7 -0.08
8 0.27
9 0.27

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
10

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
1 12 hydrophobe
1 5 cation
1 5 donor

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
000271C000000001

> <PUBCHEM_MMFF94_ENERGY>
5.7387

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10354089 29 18343581845725658936
10366900 7 18260836990017999568
10912923 1 17989484139528878135
12730499 353 18260833713031747218
13533116 47 18336263449340145755
13955234 65 18409158909776944426
14123238 8 16732701658075567717
14251718 22 16081091485005248759
17834072 33 18412821396210374767
17834076 25 18040155119376926725
17844677 252 18411421696475863289
18186145 218 18271232898233466212
20645477 70 18343584023168758582
220451 1 18410295813880615895
23557571 272 17167858634727731157
23559900 14 18187086204018595401
3545911 37 18187085065952358895
42788 4 17703792527135727717
522135 26 18410009923065348202
5374978 207 18413102858006726161
9999458 23 18409730703421261116

> <PUBCHEM_SHAPE_MULTIPOLES>
304.32
16.02
1.77
0.99
31.86
0.03
-0.01
0.03
0.36
-3.44
0.63
-0.52
0
0.02

> <PUBCHEM_SHAPE_SELFOVERLAP>
541.067

> <PUBCHEM_SHAPE_VOLUME>
198.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$