17124 -OEChem-03292400373D 18 18 0 0 0 0 0 0 0999 V2000 -0.1128 -2.5379 0.1350 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 0.2389 0.2421 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9736 0.3664 -1.3947 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1598 0.1666 0.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2634 0.1065 0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8583 -0.9817 0.0945 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7893 1.4107 0.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1861 -0.8858 -0.3220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1171 1.5064 0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8155 0.3582 -0.3653 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2603 0.2516 -0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4774 -0.8170 1.4679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4511 0.9248 1.6281 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2584 2.3153 0.7097 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7443 -1.7710 -0.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6071 2.4750 -0.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8493 0.4330 -0.6898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1886 0.3322 -0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 2 11 1 0 0 0 0 2 18 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 2 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 8 2 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 10 1 0 0 0 0 8 15 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 17 1 0 0 0 0 M END > 17124 > 0.4 > 2 12 16 6 4 15 17 14 7 8 3 1 5 9 10 13 11 > 16 1 -0.18 10 -0.15 11 0.66 14 0.15 15 0.15 16 0.15 17 0.15 18 0.5 2 -0.65 3 -0.57 4 -0.14 5 0.2 6 0.18 7 -0.15 8 -0.15 9 -0.15 > 2 > 4 1 2 acceptor 1 3 acceptor 3 2 3 11 anion 6 4 6 7 8 9 10 rings > 11 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 000042E400000002 > 21.7434 > 20.356 > 12423570 1 11789779605484855235 12716758 59 18412824715750492410 12897270 3 18413386527395207277 13024252 1 12612748034315228073 14325111 11 18410853222603298424 14614273 12 18262510382465122845 15775835 57 18113899338334697460 161256 15 17327465129911496651 16945 1 18341322336683041217 20201158 50 17632579357410701364 20645476 183 18040436619886479950 20653085 51 17676499349261037372 20871998 184 18127977609691808175 21028194 46 18187083927474776049 21040471 1 18339633452246702723 23235685 24 18408879616564290385 23402539 116 18270949219928093660 23552423 10 18121213174045594003 23559900 14 18273210890467889274 2748010 2 18339364041833386207 29004967 10 15985104123820954632 305870 269 18189613835042583850 369184 2 18273496775342252280 528862 383 18044369427129449491 7364860 26 17982728571714088591 > 216.51 4.1 1.87 0.89 2.04 1.19 0.12 -1.13 0.63 -0.7 -0.14 0.32 -0.08 -0.13 > 440.293 > 126.1 > 2 5 10 $$$$