2939497 -OEChem-05102423543D 47 50 0 0 0 0 0 0 0999 V2000 8.4900 -0.6949 0.7906 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.8940 -3.4200 0.6124 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.7482 -3.4765 0.3017 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.5580 -2.6013 2.1202 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 1.1941 0.3640 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3268 1.6492 2.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8797 -3.3309 -0.7724 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4588 -2.1312 -1.8831 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8003 0.7300 0.0513 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1013 0.5128 -1.1340 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7173 1.4870 0.4055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8867 0.9498 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0294 1.3287 1.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1332 0.3874 0.2177 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3734 2.0141 0.9567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6866 2.1733 0.3004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6472 1.6667 -0.3308 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7713 0.7776 -0.4119 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0818 3.2549 -0.3819 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3911 2.9302 -0.8100 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6775 -0.6956 -0.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1941 0.9061 -1.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7215 -0.4794 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9479 1.1228 1.0857 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8140 -1.3431 0.1191 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9243 1.1622 -1.1034 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0192 -1.0388 -0.3151 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2896 0.7799 1.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9616 -0.9539 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8254 -0.3010 0.5518 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0166 0.2987 -1.1832 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7552 -2.6826 0.7722 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5351 -2.1764 -1.0672 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3322 2.3704 1.9832 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5374 4.1693 -0.5702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0530 3.5525 -1.3957 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0544 -1.2774 -1.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0402 0.3138 -1.6170 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1909 0.4188 -2.8718 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4993 1.9155 -2.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8403 -0.8108 0.7441 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5890 1.9982 1.6178 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9988 2.1312 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9070 1.3703 1.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8226 -1.6125 -0.6454 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9102 0.6013 -1.7213 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2323 -4.0915 -1.2818 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 32 1 0 0 0 0 3 32 1 0 0 0 0 4 32 1 0 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 13 2 0 0 0 0 7 33 1 0 0 0 0 7 47 1 0 0 0 0 8 33 2 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 3 0 0 0 12 22 1 0 0 0 0 14 21 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 34 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 23 2 0 0 0 0 18 26 1 0 0 0 0 19 20 1 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 27 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 25 1 0 0 0 0 23 41 1 0 0 0 0 24 28 2 0 0 0 0 24 42 1 0 0 0 0 25 29 2 0 0 0 0 25 32 1 0 0 0 0 26 31 2 0 0 0 0 26 43 1 0 0 0 0 27 30 2 0 0 0 0 27 33 1 0 0 0 0 28 30 1 0 0 0 0 28 44 1 0 0 0 0 29 31 1 0 0 0 0 29 45 1 0 0 0 0 31 46 1 0 0 0 0 M END > 2939497 > 0.8 > 1 34 30 21 55 5 14 49 18 29 61 40 57 43 24 51 45 2 31 4 41 23 56 36 27 50 60 8 12 42 22 32 26 7 46 33 20 44 47 6 58 10 28 19 38 54 17 59 52 9 37 35 15 53 39 48 16 3 25 13 11 > 44 1 -0.18 10 -0.51 11 0.03 12 0.37 13 0.62 14 0.12 15 -0.11 16 0.09 17 0.09 18 0.05 19 -0.15 2 -0.34 20 -0.15 21 -0.15 22 0.06 23 -0.15 24 -0.15 25 -0.14 26 -0.15 27 0.09 28 -0.15 29 -0.15 3 -0.34 30 0.18 31 -0.15 32 1.16 33 0.63 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.34 41 0.15 42 0.15 43 0.15 44 0.15 45 0.15 46 0.15 47 0.5 5 -0.28 6 -0.57 7 -0.65 8 -0.57 9 -0.11 > 5.2 > 10 1 10 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 7 8 33 anion 5 5 16 17 19 20 rings 5 9 10 11 12 13 rings 6 14 21 24 27 28 30 rings 6 18 23 25 26 29 31 rings > 33 > 0 > 0 > 0 > 1 > 0 > 1 > 1 > 002CDA6900000001 > 107.2053 > 50.807 > 10369192 42 10665223740618695281 10391435 84 18409157835649790249 11135609 99 18337106860314786260 117089 54 18342182162891142858 11761917 87 16486145990053935566 12342043 65 18272364291235422769 12522641 68 16810362174348768053 12643181 29 18335133194715779029 13165053 68 18118129297912917676 1361 4 18337670798643915970 13782708 43 18343301448822818660 13811026 1 18412542115339577119 13911987 19 14418136192906899273 14068700 675 17967811665338621885 14211702 104 18412550890205663366 14556957 393 15140961695178686902 14849402 71 14404319815785934920 15152005 77 18198343060790937303 15183329 4 16153705427209961800 15352257 5 18412543193492380478 15419008 91 18190999318494634900 15510800 12 18412262870215803831 18335252 98 18273492369676614232 19611394 137 18343298188795377032 20281389 69 9583519827902159596 20721686 56 18343016679965330407 20982279 24 17488478399453606750 21267235 1 17346596328083496156 21307412 95 18336255817921258629 21623969 137 17561081389095692268 21756936 100 10447927274574859729 21781051 124 17918002659571823860 23559900 14 18336258033465922133 23569943 247 17762058736547962618 23576562 1 13913192130490907218 24204213 126 17679033844899449707 25025965 108 17630585857210637511 2838139 119 8718825375237153137 3004659 81 17749100132667345009 392239 28 16702019816315286877 397830 11 18339631360756599992 4073 2 18341897333629805448 4144715 1 18341612560509192976 437795 150 17603592962881457083 44880568 143 18187927223446734180 4625314 4 18334571330756932244 484989 97 18343308033651521574 49967989 163 17676776456625481475 5104073 3 17274819091787470200 54039377 194 17531252786112791681 54583773 228 18262805181306299996 5718773 13 18339641248039924567 58083652 198 15554148325122038425 58902169 19 16732703839423134367 636775 8 18201731605213106270 6376802 90 17980482256647968181 999808 66 18201720643480516253 > 625.73 24.84 3.6 1.49 13.28 2.33 -0.03 20.18 0.76 -4.61 -0.38 0.65 0.18 4.52 > 1383.866 > 338.4 > 2 5 10 $$$$