184870
  -OEChem-10111917283D

 32 34  0     0  0  0  0  0  0999 V2000
    1.7097    3.1122   -0.2233 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.8546   -3.1570    0.0569 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4756    1.6114   -0.1222 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.5482   -1.5273    0.0184 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.7167    1.4421    2.5603 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.5728    0.6459   -0.1285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5951   -0.7532   -0.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107    1.3363   -0.1754 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6453   -1.4975   -0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7644    1.3711   -0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8287   -1.4152   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9881    0.7030   -0.1005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0203   -0.6901   -0.0381 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    1.7337    0.9845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2677    1.5900   -1.4252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2278   -1.9097   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2588   -1.8028    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5946    2.3914    0.8943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944    2.2482   -1.5157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4238   -2.6275   -1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4549   -2.5205    1.1820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1578    2.6486   -0.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0374   -2.9332   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7645    1.2867   -2.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623   -1.6818   -2.2039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8106   -1.5104    2.1114 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1253    2.7103    1.7879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9328    2.4487   -2.4889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8771   -2.9490   -2.1645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9300   -2.7624    2.1282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1130    3.1607   -0.4262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9678   -3.4931   -0.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  2 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 10  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  2  0  0  0  0
  9 16  2  0  0  0  0
  9 17  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 12 13  1  0  0  0  0
 14 18  2  0  0  0  0
 15 19  1  0  0  0  0
 15 24  1  0  0  0  0
 16 20  1  0  0  0  0
 16 25  1  0  0  0  0
 17 21  2  0  0  0  0
 17 26  1  0  0  0  0
 18 22  1  0  0  0  0
 18 27  1  0  0  0  0
 19 22  2  0  0  0  0
 19 28  1  0  0  0  0
 20 23  2  0  0  0  0
 20 29  1  0  0  0  0
 21 23  1  0  0  0  0
 21 30  1  0  0  0  0
 22 31  1  0  0  0  0
 23 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
184870

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
28
1 -0.18
10 0.18
11 0.18
12 0.18
13 0.18
14 0.18
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 -0.15
2 -0.18
20 -0.15
21 -0.15
22 -0.15
23 -0.15
24 0.15
25 0.15
26 0.15
27 0.15
28 0.15
29 0.15
3 -0.18
30 0.15
31 0.15
32 0.15
4 -0.18
5 -0.18

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
6 6 7 10 11 12 13 rings
6 8 14 15 18 19 22 rings
6 9 16 17 20 21 23 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
23

> <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>
0002D22600000001

> <PUBCHEM_MMFF94_ENERGY>
80.0762

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
104564 63 18339084920329721455
10967382 1 18049721819905717822
1100329 8 18192425269506511570
11578080 2 17416383549956346755
11582403 64 16301166326375138797
12422481 6 18122095094382826603
12788726 201 18263633129607247714
13132413 78 17622461844938895785
13134695 92 17694220380467112055
13140716 1 18266465501799112953
13583140 156 17459193980087192064
13965767 371 17554096217610533515
14178342 30 18340194259412753360
14223421 5 18338236084779412680
14787075 74 18059287665847235121
14790565 3 17183076167941682853
15309172 13 18121223069244133441
15324884 4 17606694517125767717
16728300 4 16233910140722927146
16752209 62 18266452282232634550
16945 1 18410849975639554255
17138139 8 17840545351008355237
17357779 13 18195797703269866255
17492 54 18118672224053428813
19591789 44 18048314449201269255
20510252 161 18270400636956697560
20600515 1 17045158939374365828
20691752 17 17695616742569429930
20739085 24 17758140445723831931
21197605 99 18339377279813863763
21236236 1 18409729604015192940
21330990 113 17334207326465414041
21641784 216 17970921174231345004
21756936 100 17488204624815167720
23419403 2 17343770758349577929
23558518 356 18186524336486486698
23559900 14 18270393873064006446
238 59 17466757426333400365
25147074 1 18261110782031122086
2748010 2 18050023098618142003
283562 15 18266176321793718786
3027735 51 18338517551039932634
3060560 45 17830725457366507741
350125 39 18194126433096457500
352729 6 18200315407680632326
404807 14 14110782853111772422
4340502 62 18054524517204428193
469060 322 18118132595593388352
5104073 3 18337659872758214560
70251023 43 18269829972878899310
81228 2 18188767370097918825
9981440 41 17197368543375782128

> <PUBCHEM_SHAPE_MULTIPOLES>
482.68
6.11
4.51
1.45
5.62
0.86
-0.53
0.08
0.49
-2.52
0.23
-1.2
-0.42
-0.02

> <PUBCHEM_SHAPE_SELFOVERLAP>
1024.464

> <PUBCHEM_SHAPE_VOLUME>
258.4

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$