11797
  -OEChem-10091909443D

 28 29  0     0  0  0  0  0  0999 V2000
   -0.7240   -0.0297   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7240    0.0296   -0.2385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4781    0.7853    0.6059 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4781   -0.7852    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3629   -0.9199   -1.1018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3629    0.9197   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8709    0.7100    0.5869 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8708   -0.7099    0.5870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8283    1.7516    1.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8284   -1.7513    1.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7556   -0.9952   -1.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557    0.9950   -1.1207 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5096   -0.1803   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5095    0.1803   -0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7917   -1.5634   -1.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7917    1.5631   -1.7672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4745    1.3371    1.2376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4746   -1.3369    1.2378 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2377    2.4902    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5700    2.3089    2.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1855    1.2318    2.2611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5699   -2.3081    2.1284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850   -1.2316    2.2609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2384   -2.4904    0.9927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2531   -1.6884   -1.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2532    1.6881   -1.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5941   -0.2391   -0.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5939    0.2390   -0.2910 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  5  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  2  0  0  0  0
  3  7  2  0  0  0  0
  3  9  1  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 15  1  0  0  0  0
  6 12  1  0  0  0  0
  6 16  1  0  0  0  0
  7 13  1  0  0  0  0
  7 17  1  0  0  0  0
  8 14  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11797

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
20
10 0.14
11 -0.15
12 -0.15
13 -0.15
14 -0.15
15 0.15
16 0.15
17 0.15
18 0.15
25 0.15
26 0.15
27 0.15
28 0.15
3 -0.14
4 -0.14
5 -0.15
6 -0.15
7 -0.15
8 -0.15
9 0.14

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
2
6 1 3 5 7 11 13 rings
6 2 4 6 8 12 14 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <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>
00002E1500000001

> <PUBCHEM_MMFF94_ENERGY>
46.5984

> <PUBCHEM_FEATURE_SELFOVERLAP>
10.149

> <PUBCHEM_SHAPE_FINGERPRINT>
10219947 1 17458063763817110574
11578080 2 17905845358565344844
12119455 92 16805598213750313868
12236239 1 18410575080368111757
12326174 3 17095511856199362082
12423570 1 15983113015600298366
13538477 17 18342453738216169135
13581323 91 17917707985311402590
13898156 1 18270116807868364739
14817 1 11662433799061545866
15207287 21 15719109166922465864
15219456 202 16153425047428754046
15309172 13 17386014991589299930
15375462 189 18412261748875768907
15775835 57 18409174302596860956
15852999 172 14345789422682972755
16945 1 18410856589704560725
18175812 5 15719398355760841862
18186145 218 18114184163554372966
19049666 15 15430864406983327533
19422 9 18411419501051093479
200 152 18114173142684199935
20201158 50 16370442228697584786
20279233 1 15697999634622514654
204376 136 17459477817738935972
20645464 45 15140961768425283901
20645476 183 18410008849624464847
20645477 70 17531793676334010575
21639500 275 17822008769704975436
22802520 49 16271101305989092316
228727 97 18413113878523529488
23236772 104 18411141328930315017
23402539 116 17489581242915382252
23557571 272 17132117957073938688
23559900 14 17131560449160436732
474 4 18120090843367837932
528886 8 17749383801712506196
57812782 119 15719388451476411039
63268167 104 18113900468121826508
77492 1 18410573976561516636
81228 2 17417545635089316841
8272917 22 17969501507594241291
9981440 41 17621315071749977600

> <PUBCHEM_SHAPE_MULTIPOLES>
288.11
5.39
1.48
1.43
0
0
-0.19
0
0.98
0
-0.48
0
0
-1.25

> <PUBCHEM_SHAPE_SELFOVERLAP>
623.986

> <PUBCHEM_SHAPE_VOLUME>
149.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$