11063457
  -OEChem-12171808073D

 35 35  0     1  0  0  0  0  0999 V2000
   -0.4053    2.2058   -0.3132 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9938    2.1860    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1300    0.8748   -0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2456    3.3424    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4915    0.2015   -1.3393 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4055    0.3782    1.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8673    1.0861   -0.2038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4455   -1.5418    0.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1563   -1.0195   -1.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0703   -0.8428    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3139    0.0606    0.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1565   -2.8471    0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1662   -1.0291    0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6256   -1.0596   -1.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5397   -1.9955    0.9378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2689    2.4347   -1.3798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4957    3.1433    0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9079    2.1020    1.4306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3807    3.2366    1.3629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2401    3.3756   -0.1782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7632    4.3095    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2708    0.5974   -2.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1201    0.9072    1.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1325    1.1691   -1.2543 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4418   -1.5556   -2.1272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882   -1.2404    2.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0205    0.0254    1.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8323   -3.0090   -0.6909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327   -3.6674    0.1888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7676   -2.8815    1.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7694   -1.1130   -2.0302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2595   -1.9286   -1.5581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2130   -0.1663   -1.5878 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1754   -2.8156    0.6193 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2238   -1.9977    1.9765 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 16  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  9  1  0  0  0  0
  5 22  1  0  0  0  0
  6 10  2  0  0  0  0
  6 23  1  0  0  0  0
  7 11  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  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
M  END
> <PUBCHEM_COMPOUND_CID>
11063457

> <PUBCHEM_CONFORMER_RMSD>
0.6

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

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
22
1 0.14
10 -0.15
11 -0.15
12 0.14
13 -0.14
14 0.14
15 -0.3
2 0.14
22 0.15
23 0.15
24 0.15
25 0.15
26 0.15
27 0.15
3 -0.14
34 0.15
35 0.15
5 -0.15
6 -0.15
7 -0.29
8 -0.14
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
4

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
1 4 hydrophobe
6 3 5 6 8 9 10 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
00A8D0A100000001

> <PUBCHEM_MMFF94_ENERGY>
31.6973

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.148

> <PUBCHEM_SHAPE_FINGERPRINT>
11127187 94 18260543385884651527
11725454 13 14187911557895407099
12363563 72 18409440414718322226
12553582 1 18409737261361879898
12596599 1 18201173112534157882
13533116 47 17834125517410270803
14251705 54 18265611163963739906
15422964 175 18267015240169419961
18981168 100 8790604861837540800
19766037 51 18187659045170994550
20291156 8 18339929310958500930
20361792 2 18341894133857577308
20645476 183 17684108893407122556
20645477 70 17759511567068611879
21665056 4 17904476312037811236
21731516 1 18411426119864416558
22445834 79 17912654797621736449
2255824 54 17547294866150742701
23500284 5 18411138047512042777
23526113 38 18048000199450461861
23557571 272 18129090140114031570
23728640 28 17905037058804917962
257057 1 18410847802233323104
43658 37 8862399582386662975
49207404 50 10447102726441812983
598444 67 17407989607385379671
7097593 13 18053960720899122195
81228 2 18338221674816689761

> <PUBCHEM_SHAPE_MULTIPOLES>
308.69
5.79
3.37
1.23
4.61
1.46
-0.19
-5.4
-0.15
-1.58
0.41
0
-0.32
-0.09

> <PUBCHEM_SHAPE_SELFOVERLAP>
623.1

> <PUBCHEM_SHAPE_VOLUME>
177

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$