11119352
  -OEChem-10101915543D

 42 41  0     0  0  0  0  0  0999 V2000
    1.9665    0.0041   -0.0467 Si  0  0  0  0  0  0  0  0  0  0  0  0
    3.2013    0.0142    1.0894 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0895    1.3700   -1.0118 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1338   -1.3595   -1.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3144   -0.0241   -0.1673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7996    0.0043    1.6028 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3092   -0.0330    0.8374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9206   -0.0453   -0.0730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2139   -0.0267    0.7315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5520    0.0417    0.6501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0010    2.6576   -0.4190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0945   -2.6472   -0.4115 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4637    0.0456    1.8588 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1417    3.7086   -1.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673   -3.6968   -1.4886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5521   -0.0079    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5587   -0.0096   -0.6743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8611    0.0040   -0.3763 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2841   -0.9142    1.4893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2587    0.8400    1.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9092    0.8180   -0.7514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9122   -0.9299   -0.7234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2686   -0.9138    1.3735 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2533    0.8724    1.3576 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7732   -0.8406    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7424    0.9430    0.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0310    2.7850    0.0767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7985    2.7938    0.3218 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1321   -2.8081    0.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8999   -2.7525    0.3257 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2914   -0.8434    2.4746 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    0.9157    2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5145    0.0666    1.5562 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3579    3.5922   -2.2553 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1011    3.6038   -2.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0773    4.7153   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2197   -3.5597   -2.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4761   -3.6114   -2.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2409   -4.7034   -1.0619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2254   -0.0218   -1.7060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5997    0.0028   -1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2254    0.0165    0.6449 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 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  5  9  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  2  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  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
 10 13  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 13 32  1  0  0  0  0
 13 33  1  0  0  0  0
 14 34  1  0  0  0  0
 14 35  1  0  0  0  0
 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 41  1  0  0  0  0
 18 42  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11119352

> <PUBCHEM_CONFORMER_RMSD>
1

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
17
1 0.97
10 0.28
11 0.28
12 0.28
16 0.71
17 -0.14
18 -0.3
2 -0.58
3 -0.58
4 -0.58
40 0.15
41 0.15
42 0.15
5 -0.43
6 -0.57
7 -0.08
9 0.28

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
12

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 18 hydrophobe
1 6 acceptor

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <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>
00A9AAF800000001

> <PUBCHEM_MMFF94_ENERGY>
14.4745

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
10756046 70 18191579955897691332
11089746 13 17749379378687469089
11135609 149 18049983520848483679
13073987 5 17775006744236773227
13533116 47 17703504394823129787
13836976 161 18341612645959255886
14863182 85 18131358501100310966
17844677 252 18040721377252082081
20645477 70 18408325480205721831
21054139 6 17845356903584915671
21315763 129 18114175342198384317
22224240 67 18059842996517877346
23559900 14 18411427210739000779
300161 21 17560797711238296579
3060560 45 18339376252747026380
42630746 31 18060416889858395598
4340502 62 18060415832869140487
5104073 3 17895485838103445281
5281201 14 18335705988555038061
7164475 11 18270127799070230473
7495541 125 17603305985460419040
9971528 1 18340210682744856502
9999458 23 16226043427331553768

> <PUBCHEM_SHAPE_MULTIPOLES>
359.3
13.13
3.16
1.48
24.37
0.04
-0.14
-0.08
-3.3
-5.19
2.87
-1.23
0.02
0.07

> <PUBCHEM_SHAPE_SELFOVERLAP>
660.857

> <PUBCHEM_SHAPE_VOLUME>
227.5

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$