32437
  -OEChem-10201908173D

 21 23  0     0  0  0  0  0  0999 V2000
   -0.8274    2.9966   -0.0004 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6496   -0.8284   -0.0012 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.4058   -1.7905    0.0002 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2865    0.3624    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1391    0.3488    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6825   -0.9715    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5096   -0.9923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2829    1.3559    0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1543    1.3232    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0113   -1.3926    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -1.4386   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    0.9629    0.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9832   -0.3879    0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4916    0.9046    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8210   -0.4527   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9353    2.3855    0.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2666   -2.4464    0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0780   -2.4934   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4056    1.7252   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2842    1.6486    0.0001 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8672   -0.7487   -0.0006 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  2  0  0  0  0
  8 12  2  0  0  0  0
  9 14  1  0  0  0  0
  9 16  1  0  0  0  0
 10 13  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  1  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 21  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
32437

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
19
1 -0.18
10 -0.15
11 -0.15
12 -0.15
13 0.18
14 -0.15
15 -0.15
16 0.15
17 0.15
18 0.15
19 0.15
2 -0.18
20 0.15
21 0.15
3 -0.28
6 0.14
7 0.14
8 0.18
9 -0.15

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
4
1 3 acceptor
5 3 4 5 6 7 rings
6 4 6 8 10 12 13 rings
6 5 7 9 11 14 15 rings

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <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>
00007EB500000001

> <PUBCHEM_MMFF94_ENERGY>
31.5641

> <PUBCHEM_FEATURE_SELFOVERLAP>
20.499

> <PUBCHEM_SHAPE_FINGERPRINT>
10608611 8 18411696556764938776
10967382 1 18338799017167849446
11132069 177 18341887523839631176
11471102 20 18410570712449857127
11680986 33 17977946010113911473
11806522 49 18338795740672467519
12032990 46 18409735075276046251
12403259 226 18340481175843911496
13140716 1 18194395821834211370
13221675 6 18411136926552081998
13380535 76 18410012147737491034
14144814 61 18410292480389628858
14325111 11 18410575067673230720
15196674 1 18410856542475894053
15375462 6 18410857646430227814
15442244 35 18121216481223120522
15536298 74 18342739624282528798
16945 1 18266459802150793990
17802600 8 18411975858487944392
18522853 276 18412541016086165472
193761 8 17978228253509953191
200 152 18201993335750234063
20510252 161 18342457002159446209
20645477 70 18411697669040487215
21029758 11 18340762724130445697
21267235 1 18410583885098937454
21501502 16 18338238137546998400
221490 88 17903919203926234371
2334 1 18338799038632142918
23402539 116 18271798034589141271
23402655 69 18341606002203771445
23463225 33 18408886243577437396
23557571 272 18272098170840011420
23559900 14 18268703910153072154
238 59 15949044226865401189
25610 137 18410013242980213445
2748010 2 18339358672860262284
2871803 45 18335134280804694671
335352 9 18050285873238447133
34934 24 18339634658926992255
474 4 17024321919055363388
5104073 3 18410855425768463392
528886 8 18411695525693057130
537710 114 18336271244415527045
69090 78 18271803553348063191
7364860 26 18268993261957554240
8809292 202 18260553354509416563
9709674 26 18411706456459133166

> <PUBCHEM_SHAPE_MULTIPOLES>
306.56
6.62
2.27
0.62
1.32
1.39
0
-1.67
0
0.3
0
0.02
0.02
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
675.649

> <PUBCHEM_SHAPE_VOLUME>
168.3

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$