11022924
  -OEChem-10111915193D

 32 34  0     0  0  0  0  0  0999 V2000
    6.3689    2.0238   -0.2241 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -6.3699    2.0228   -0.2198 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2079   -0.9343    0.1039 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2078   -0.9343    0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0002   -0.2409    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4616   -0.2161    0.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4613   -0.2157    0.0224 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2081   -2.3208    0.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2079   -2.3209    0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -3.0141    0.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5880   -0.8365   -0.5149 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5436    1.0970    0.4884 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5878   -0.8358   -0.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5434    1.0968    0.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7964   -0.1440   -0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7519    1.7896    0.4117 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7964   -0.1435   -0.5930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7520    1.7891    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8783    1.1691   -0.1283 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8785    1.1690   -0.1280 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0003    0.8293   -0.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1226   -2.8994    0.3522 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1225   -2.8996    0.3483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0001   -4.0923    0.4617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5645   -1.8459   -0.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7023    1.6104    0.9462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5643   -1.8448   -0.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7022    1.6097    0.9458 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6646   -0.6373   -1.0214 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8034    2.8100    0.7827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6649   -0.6366   -1.0224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8036    2.8090    0.7852 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 20  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  9  2  0  0  0  0
  5 21  1  0  0  0  0
  6 11  2  0  0  0  0
  6 12  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 15  1  0  0  0  0
 11 25  1  0  0  0  0
 12 16  2  0  0  0  0
 12 26  1  0  0  0  0
 13 17  1  0  0  0  0
 13 27  1  0  0  0  0
 14 18  2  0  0  0  0
 14 28  1  0  0  0  0
 15 19  2  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 20  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
11022924

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
28
1 -0.18
10 -0.15
11 -0.15
12 -0.15
13 -0.15
14 -0.15
15 -0.15
16 -0.15
17 -0.15
18 -0.15
19 0.18
2 -0.18
20 0.18
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
30 0.15
31 0.15
32 0.15
5 -0.15
8 -0.15
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
6 3 4 5 8 9 10 rings
6 6 11 12 15 16 19 rings
6 7 13 14 17 18 20 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
00A8324C00000001

> <PUBCHEM_MMFF94_ENERGY>
68.5346

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10411042 1 17473260972813561266
10498660 4 18411135814387816865
12293681 160 18060702783897005705
12390115 104 18340221759634409043
12403259 118 17531820154748803165
12403259 415 18337403702547487523
12730499 353 18336836294935023339
12769317 202 18339630136569340985
12892183 10 12901540239175707183
12916748 109 18411142458517399642
13288520 33 9727641604621052923
13740256 8 9799690411002899394
13955234 65 18044940065359609395
1420 369 9439403536056449900
14528608 73 18413383224997847533
14767858 380 18269540780599572151
14790565 3 18409453578524351532
14848178 96 18411416202484620121
14931854 50 18131354076799277224
15183329 4 18271533013985406828
15196674 1 18411700984569928059
17780758 139 11602808108216056135
18608769 82 18267307715095920379
193927 3 11167934801390230717
19784866 34 18408601444459823323
20554085 129 17987780982990309210
20612939 158 18268149760308097931
20645477 56 18337110176214024794
20645477 70 17131286701025083750
21033648 29 18339637948951257768
21279426 13 18341622494973432366
221357 26 17917711288083679273
22950370 63 9583518737154357714
23402539 116 18343014518978971686
23402655 69 18201718452978610534
23558518 356 17682679880562422578
23559900 14 18343588456535071134
23845131 108 18186803556859276651
270888 7 18408884035832768261
283562 15 18045497766720927219
2838139 119 18341888640964034516
2916195 48 18341610468753682624
293599 30 18408605876886918428
314194 84 9006760004351841261
335352 9 18410858725290127518
3472631 163 18343021073547620901
350125 39 18189894210892652222
351380 3 10447931663435064612
3545911 37 18341053020658499168
4028521 119 18342739632497884571
474 4 18333454227084769725
495365 180 17417802994304487418
5104073 3 18113337500783204763
5718773 13 10231769864006714324
59682541 35 18188223074194961993
59682541 52 17560813078515309380
59755656 520 18334288790601672510
6327066 14 18408602582394178380
6328613 192 18261962968115617916
633830 44 18341325630559279071
67856867 119 18265884783556010363
77188 2 17399793800494573514
7808743 9 18335699498485037080
7970288 3 10015865370655501516
8863177 126 12030632537129961509
9981440 41 18335419097113410323

> <PUBCHEM_SHAPE_MULTIPOLES>
415.33
13.85
2.78
0.74
0.01
1.08
-0.02
-12.61
-2.28
0
0.33
0
-0.02
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
901.617

> <PUBCHEM_SHAPE_VOLUME>
216

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$