11396
 OpenBabel01122615033D

 24 25  0  0  0  0  0  0  0  0999 V2000
   -0.0001   -0.4674    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250   -1.1542    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -1.1542    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327   -0.4557    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326   -0.4557   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    1.6346    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2251    1.6347   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4327    0.9360    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4327    0.9360   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7248   -1.2010   -0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7247   -1.2011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362   -2.2430   -0.0016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2362   -2.2429    0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2488    2.7224   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2489    2.7225    0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668    1.4915   -0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669    1.4913    0.0014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5238   -0.6126    0.4631 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6417   -2.1328    0.5686 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0190   -1.4407   -1.0276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0186   -1.4429    1.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5238   -0.6119   -0.4626 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6416   -2.1317   -0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  2  0  0  0  0
  3 13  1  0  0  0  0
  4  6  2  0  0  0  0
  4 14  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6 10  1  0  0  0  0
  6 12  1  0  0  0  0
  7  9  2  0  0  0  0
  7 15  1  0  0  0  0
  8 10  2  0  0  0  0
  8 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
11396

>  <PUBCHEM_CONFORMER_RMSD>
0.4

>  <PUBCHEM_CONFORMER_DIVERSEORDER>
1

>  <PUBCHEM_MMFF94_PARTIAL_CHARGES>
16
10 -0.15
11 0.14
12 0.14
13 0.15
14 0.15
15 0.15
16 0.15
17 0.15
18 0.15
3 -0.15
4 -0.15
5 -0.14
6 -0.14
7 -0.15
8 -0.15
9 -0.15

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

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

>  <PUBCHEM_HEAVY_ATOM_COUNT>
12

>  <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>
00002C8400000001

>  <PUBCHEM_MMFF94_ENERGY>
33.7572

>  <PUBCHEM_FEATURE_SELFOVERLAP>
10.175

>  <PUBCHEM_SHAPE_FINGERPRINT>
10967382 1 18266741474659005542
11206711 2 18335139752366092397
11471102 20 18410006680554853015
11543360 7 15719403870451636886
11769659 78 18410852161593401894
12032990 46 18410859862469958499
14128692 85 18411141328977898020
14144814 61 18411138026084659538
14325111 11 18410855468723630976
14576447 43 17768800215419484023
15536298 74 18343302595832229328
16945 1 18410855460128207264
17844478 74 18113624512362726961
19973954 147 18410857659151696672
200 152 18059844074459528087
20201158 50 18411417276236863639
20645477 70 18411132576235832951
20871998 184 18130504141383166279
20871998 22 18271816657382934694
21501502 16 18410863161010129573
21501925 9 18410282632098171498
23402539 116 18343290462375655591
23463225 33 18410013238600661780
23552423 10 18260831518102881676
23559900 14 18053377705286274694
2748010 2 18410568491893846788
5084963 1 18342739615275953953
528886 8 18339073770499746953
7364860 26 18270119153443215392
8809292 202 18187933910193283883

>  <PUBCHEM_SHAPE_MULTIPOLES>
246.95
5.4
1.8
0.62
0
0.37
0
-2.18
0
0
0
0
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
536.738

>  <PUBCHEM_SHAPE_VOLUME>
128.3

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$