188000
  -OEChem-10111918493D

 32 34  0     0  0  0  0  0  0999 V2000
    2.3486   -2.5829    0.0002 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.8399    0.3693    0.0014 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.8837    0.1305   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9057    0.0859   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    0.1538   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3525    0.0627    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1862    0.1194   -1.2083 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864    0.1193    1.2075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2085    0.0971   -1.2084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2082    0.0970    1.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0884   -1.0195   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9731    1.3938   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0692    1.2594    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0304   -1.1563    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4816   -0.9530   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664    1.4603    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4640    1.2370    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4250   -1.1787    0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1207    0.2869    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418    0.0180    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.1275   -2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7146    0.1274    2.1581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7366    0.0886   -2.1590 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7362    0.0883    2.1584 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4031    2.3204    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5565    2.2184    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4871   -2.0983    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724   -1.8667    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8509    2.4334    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0222    2.1686    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9530   -2.1277    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2277    0.0004    0.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  1  0  0  0  0
  2 19  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  2  0  0  0  0
  3  8  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  2  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  2  0  0  0  0
  8 22  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
 12 16  2  0  0  0  0
 12 25  1  0  0  0  0
 13 17  1  0  0  0  0
 13 26  1  0  0  0  0
 14 18  2  0  0  0  0
 14 27  1  0  0  0  0
 15 19  2  0  0  0  0
 15 28  1  0  0  0  0
 16 19  1  0  0  0  0
 16 29  1  0  0  0  0
 17 20  2  0  0  0  0
 17 30  1  0  0  0  0
 18 20  1  0  0  0  0
 18 31  1  0  0  0  0
 20 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
188000

> <PUBCHEM_CONFORMER_RMSD>
0.6

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1
2

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
28
1 -0.18
10 -0.15
11 0.18
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 -0.15
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
30 0.15
31 0.15
32 0.15
7 -0.15
8 -0.15
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
2

> <PUBCHEM_PHARMACOPHORE_FEATURES>
3
6 3 4 7 8 9 10 rings
6 5 11 12 15 16 19 rings
6 6 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>
0002DE6000000001

> <PUBCHEM_MMFF94_ENERGY>
66.1004

> <PUBCHEM_FEATURE_SELFOVERLAP>
15.223

> <PUBCHEM_SHAPE_FINGERPRINT>
10595046 47 18411418423372790377
10906281 52 17386307431786407140
11287383 113 18408886252125141569
11315181 36 18260550048106998965
11719270 70 18342452617826492442
12107183 9 17620196434215321753
12236239 1 17918275346707816232
12788726 201 17275109375346316651
13167823 11 18412824677333429807
13288520 33 18409730682062338775
13533116 47 14979966822442976254
13583140 156 18272652389541547259
13760787 19 18201997742017616071
13862211 1 15646769007307991057
14251764 18 17821725049167231040
14341114 176 18411706478297524669
14528608 73 18410014368414541532
15048467 5 18411136922489262249
15788980 27 17918272056520248573
15848702 151 18259985959623046229
17349148 13 14851606570340087287
17834072 33 18412261744306351711
17844677 252 18411707582088581337
1813 80 16877667829349125479
19489759 90 18408886243994318289
200 152 18343582940794542000
20645477 70 18341614763673798190
21033648 29 12823011963801342059
21267235 1 18131077026334362740
22224240 67 18261106405406842970
23402539 116 18334573551502261853
23536379 177 18410573972477662953
23557571 272 17385720262095575117
23559900 14 18410289250490008353
23569914 2 17618447321623078289
23569943 247 17097483198785792571
239999 70 18272376343509520302
26918003 58 18412826897393451179
29717793 49 17489878115930110684
300161 21 18335134276625589967
3004659 81 18340207401806989474
314173 85 16732985306184521685
34797466 226 18130798883566816165
3545911 37 18410856563992993505
4073 2 18041285451526976138
4214541 1 18410856547361698529
42630746 31 18412545401622580870
4325135 7 18410292531713082055
4340502 62 18341895203531670462
5104073 3 18335705997002496275
542803 24 17821731645319067317
59755656 215 18409452462454879118
59755656 520 17895188935045278018
67856867 119 18262522618816620709
7495541 125 17917709162512256545
77779 3 18410575072274016721
8272917 22 18341615867532971934
9971528 1 17748829613445045892

> <PUBCHEM_SHAPE_MULTIPOLES>
415.33
15.22
1.59
0.91
1.55
0.68
0
-1.59
0.01
-0.64
0
0.14
-0.03
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
900.291

> <PUBCHEM_SHAPE_VOLUME>
216.8

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$