16351 -OEChem-10131908463D 41 44 0 0 0 0 0 0 0999 V2000 -1.6661 3.8813 1.8432 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.1357 0.5701 -1.9511 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4850 -1.0195 -0.4036 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2978 -1.4182 -0.2259 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7248 -1.5638 -0.1176 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3795 -0.2829 -1.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0074 -2.2879 0.0969 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7515 -0.1166 -0.6369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3877 -2.0779 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2007 -0.6441 -0.2058 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6250 -1.2545 0.3658 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0413 0.8279 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0165 1.4712 -0.8905 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0880 -1.3070 0.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7890 1.5786 0.7315 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8702 -0.4438 -0.6759 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1425 2.8648 -0.8167 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6476 2.9639 0.8019 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3139 3.6064 0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -2.0449 1.1246 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2469 -0.3248 -0.4379 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0875 -1.9185 1.3630 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8516 -1.0599 0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4858 -0.8539 -2.2242 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 0.6992 -1.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3479 -2.7195 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0654 -3.0075 -0.7290 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6770 0.5608 0.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4238 0.3539 -1.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 -3.0573 1.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2885 -1.4826 1.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3137 -0.8003 -0.3552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6044 -0.6281 1.2649 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0490 -2.2287 0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5377 1.0840 1.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8910 3.3896 -1.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4333 4.6861 0.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1402 -2.7358 1.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8608 0.3465 -1.0342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5564 -2.4963 2.1539 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9178 -0.9614 0.7618 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 5 10 2 0 0 0 0 5 14 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 18 2 0 0 0 0 15 35 1 0 0 0 0 16 21 2 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 19 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END > 16351 > 0.6 > 3 8 5 7 1 4 2 6 > 30 1 -0.18 10 0.41 11 0.27 12 0.09 13 0.1 14 0.18 15 -0.15 16 0.1 17 -0.15 18 0.18 19 -0.15 2 -0.2 20 -0.15 21 -0.15 22 -0.15 23 -0.15 3 -0.79 35 0.15 36 0.15 37 0.15 38 0.15 39 0.15 4 -0.81 40 0.15 41 0.15 5 -0.63 6 0.37 7 0.37 8 0.27 9 0.27 > 2.4 > 6 1 4 cation 3 3 5 10 cation 6 12 13 15 17 18 19 rings 6 14 16 20 21 22 23 rings 6 3 4 6 7 8 9 rings 7 2 5 10 12 13 14 16 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00003FDF00000003 > 80.796 > 30.468 > 10162869 55 18202563987550967651 10165383 225 17613166573685384621 104564 63 18271528580766787005 1100329 8 17976822309604877028 11265709 11 18410293609897364854 11578080 2 17969202526152089156 12293681 160 17905356235363872652 12553582 1 18339663181868166963 12633257 1 18341066206678148659 12788726 201 18341908371637480440 13004483 165 18337658737995771938 13009979 54 18189614948040649690 13134695 92 18199738305815395133 13140716 1 18340771528343651019 13294875 104 17696189583737789361 13533116 47 18050001401314391863 14178342 30 17975963281686322938 14464042 87 18410297986273880289 14466204 15 18338518526635357713 14787075 74 18046909557283326550 14866123 147 17328015469493485483 14955137 171 18342746263891148591 15042514 8 18194403286255204416 15230672 131 17183060783802053420 15238133 3 18338528469279023517 15420108 30 17128446829245572244 15475509 84 18264794167401084169 15927050 60 17617946172306065014 17980427 26 17624403582373776693 1813 80 18059581303580231263 18785283 64 17898852623668397621 19078846 21 18341905103647156217 20369508 70 18339078323576699967 20600515 1 17988928915367300994 21033648 29 17131827647434292731 21041028 32 18413671322761569293 21250096 35 18335134306400697882 21267235 1 18187367601960727466 21421861 104 18263644120386730416 21731228 192 17547851854784217056 22112679 90 18339659849179234780 23175994 123 18410856572936486159 23557571 272 18129949962180192278 23558518 356 17976828588035219858 23559900 14 17677888119021841911 25147074 1 18116450171663224868 266924 78 16592009322495567540 345986 75 18262506018556778507 34934 24 18056765561913056292 350125 39 18260265249009977623 392239 28 18338786927620882520 4058900 60 17615705358623967309 5895379 119 16915133714014887337 6438718 38 17844241831010843325 7164475 11 18265332807381089110 7364860 26 18194681703146524717 7471813 234 18271799176965909533 7495541 125 18187931750220372511 81228 2 18196937673304843488 > 464.11 8.29 4.11 1.41 2.45 4.65 0.02 -7.64 -1.21 1.66 -1.84 -0.46 0.56 -1.65 > 988.849 > 259 > 2 5 10 $$$$