11326
 OpenBabel01122615033D

 24 25  0  0  0  0  0  0  0  0999 V2000
    0.1920   -0.3525   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2335    1.0621    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3964   -1.0749   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0525   -1.0032   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2392   -0.2697    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9710    1.7845    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4780    1.7127    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1985    1.1214    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6241   -0.4120   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6647    0.9791   -0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4255   -2.5719    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5530   -0.9756   -0.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1212   -2.0886    0.0015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    2.8725    0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5338    2.7993    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1157    1.7045    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5603   -0.9640   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6206    1.4949   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9349   -2.9657    0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9326   -2.9675   -0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4495   -2.9624   -0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8231   -1.2674    1.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3492   -0.3396   -0.4022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5138   -1.8734   -0.6269 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  2  0  0  0  0
  1  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  2  0  0  0  0
  3  9  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  2  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  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>
11326

>  <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 -0.14
4 -0.15
5 -0.14
6 -0.15
7 -0.15
8 -0.15
9 -0.15

>  <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

>  <PUBCHEM_PHARMACOPHORE_FEATURES>
2
6 1 2 3 7 9 10 rings
6 1 2 4 5 6 8 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>
00002C3E00000001

>  <PUBCHEM_MMFF94_ENERGY>
36.25

>  <PUBCHEM_FEATURE_SELFOVERLAP>
10.175

>  <PUBCHEM_SHAPE_FINGERPRINT>
10967382 1 18338516472723235047
11206711 2 18336270063104192693
11471102 20 18410288146952204565
12423570 1 11662579879906039520
12524768 44 18124317094964435407
12897270 3 18410011048114638797
13380535 21 18266471918375024193
13380535 76 18335980977535272898
14251717 144 18267860760764930223
14325111 11 18410856581167743841
161256 15 18411421695794965660
16945 1 18410573989457058884
17844478 74 18113625603295047617
17990270 104 18338234851849680578
193761 8 18194682562066299621
19973954 147 18339080363327267681
20201158 50 18335419084307206691
20588541 1 18263365944160810275
20645477 70 18411975863231740127
21040471 1 18122343751176940704
21501502 16 18337955575811686545
2334 1 17762337319998169991
23402655 69 18340473492569497069
23463225 33 18334852797364416128
23552423 10 18335425616688485935
23559900 14 17332803852129836798
241688 4 17976823082087015424
2748010 2 18194961842346227814
5084963 1 18202286930655162080
528886 8 18267298909953533754
63268167 104 18338519612376120089
7364860 26 18270961241752674870
8809292 202 18187089498047807579

>  <PUBCHEM_SHAPE_MULTIPOLES>
246.95
4.35
2.25
0.62
1.91
0.51
0
0.59
0
-0.68
0
0
0
0

>  <PUBCHEM_SHAPE_SELFOVERLAP>
537.787

>  <PUBCHEM_SHAPE_VOLUME>
127.9

>  <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$