91739 -OEChem-03282421503D 20 21 0 0 0 0 0 0 0999 V2000 3.6242 1.1261 -0.0481 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6695 -0.2799 0.0575 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.6336 -2.1828 -1.0220 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7300 -1.7430 0.9091 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8362 -1.3552 0.0639 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8919 1.0529 -0.0102 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1938 -0.1725 0.0226 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1978 -0.1339 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1892 2.2691 -0.0533 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 1.0749 -0.0319 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2927 1.0147 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2027 2.2781 -0.0642 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9574 -0.2024 0.0442 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 -1.3484 0.0739 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9347 -1.3978 0.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7228 3.2166 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8620 1.9422 -0.0234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7270 3.2295 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6418 -2.3348 0.1074 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 -3.0315 -1.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 2 13 1 0 0 0 0 3 15 1 0 0 0 0 3 20 1 0 0 0 0 4 15 2 0 0 0 0 5 7 2 0 0 0 0 5 14 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 8 10 2 0 0 0 0 8 15 1 0 0 0 0 9 12 2 0 0 0 0 9 16 1 0 0 0 0 10 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 13 14 2 0 0 0 0 14 19 1 0 0 0 0 M END > 91739 > 0.4 > 1 2 > 19 1 -0.18 10 0.18 11 -0.15 12 -0.15 13 0.18 14 0.16 15 0.63 16 0.15 17 0.15 18 0.15 19 0.15 2 -0.18 20 0.5 3 -0.65 4 -0.57 5 -0.62 7 0.31 8 0.09 9 -0.15 > 1 > 6 1 3 acceptor 1 4 acceptor 1 5 acceptor 3 3 4 15 anion 6 5 6 7 11 13 14 rings 6 6 7 8 9 10 12 rings > 15 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0001665B00000001 > 46.1454 > 30.541 > 10967382 1 18410293639761701833 10980938 120 18411704309075172641 11132069 177 18338793537043131776 11471102 20 18410290341601442973 11578080 2 16807557380652741766 116883 192 18197780990439589325 12346645 6 18342459269996902903 12382932 28 18411418435925298688 12524768 44 18412268302542110183 13140716 1 18050286169676067257 13221675 6 18339929315195147261 13380535 76 18337391655169380019 14576447 43 18056464283216904663 14790565 3 16756932395077293620 15196674 1 18409729530620927673 15219456 202 18335133177008649205 15442244 35 18339645529900694737 15536298 74 18343022185485019208 16945 1 18337388361008728097 17990270 104 18412547582758942518 193761 8 18194684769911845220 20201158 50 18336828683915072113 20511035 2 17684657914575854788 20559304 39 18411982468205301089 20588541 1 18336267941448415741 20645476 183 17246125394482650932 20645477 70 18410851054204184679 20871998 22 18269558230234134518 21267235 1 18410019818548893338 21501502 16 18339082579509546840 21501925 9 18337943515569880331 2334 1 18338235964198880325 23402655 69 18341324553266162781 23463225 33 18408601474461160920 23552423 10 18263647436222483557 23559900 14 16830373170416783782 2748010 2 18265610983485208997 3060560 45 18130794494252541326 34934 24 18339636836506916957 4072396 5 18263907964844249416 5104073 3 18410295792342249329 528886 8 18339921644346743808 53812653 166 18341330114526247824 63268167 104 18410014346955646289 7364860 26 18342740736520861368 81228 2 17906178351689887424 8809292 202 18043252538016300307 > 295.71 5.88 2.39 0.7 4.05 0.01 0.02 -0.47 -0.27 -1.46 0.12 -0.17 -0.17 -0.06 > 634.942 > 165.3 > 2 5 10 $$$$