61995511 -OEChem-03282417433D 35 36 0 0 0 0 0 0 0999 V2000 -1.9486 1.7544 0.6872 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0076 -0.7965 1.6880 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6352 -0.2613 -0.5210 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2128 2.1035 -0.9133 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0542 -0.2336 -0.2190 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7171 -0.5795 0.1835 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2978 -0.5532 0.5088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8084 0.9232 -0.4148 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6626 -1.3877 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1760 0.0133 -1.8919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4957 0.5735 0.2825 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2964 -1.7789 -0.2303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1711 0.9259 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 -1.3851 0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8537 0.5271 -0.0323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7796 -0.2283 0.3761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6546 -1.8253 -0.5450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4333 -0.6723 -0.4461 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8204 2.8807 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 -2.2999 0.4245 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4351 0.9202 -1.8976 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0253 0.1318 -2.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4292 -0.8269 -2.2442 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6999 -2.6841 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7709 1.8203 -0.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4996 -2.2843 0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5212 1.3802 0.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8407 -0.2264 0.6074 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1057 -2.7592 -0.8673 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4907 -0.7098 -0.6916 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7756 2.9366 -1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2080 2.1722 -0.9900 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2190 3.7316 1.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 2.7349 1.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2198 3.1460 -0.2260 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 19 1 0 0 0 0 2 7 2 0 0 0 0 3 5 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 31 1 0 0 0 0 4 32 1 0 0 0 0 5 8 1 0 0 0 0 5 9 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 12 2 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 15 2 0 0 0 0 12 17 1 0 0 0 0 12 24 1 0 0 0 0 13 16 1 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 18 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 18 2 0 0 0 0 17 29 1 0 0 0 0 18 30 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 61995511 > 0.6 > 11 7 33 36 49 24 39 60 32 50 48 28 31 35 40 38 30 37 58 26 19 42 8 61 44 57 43 29 46 21 51 20 53 5 45 6 47 27 18 55 41 34 13 16 52 1 23 17 15 9 56 54 25 14 3 10 22 4 2 59 12 > 29 1 -0.36 10 0.3 11 0.08 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 0.28 2 -0.57 20 0.15 24 0.15 25 0.15 26 0.15 27 0.15 28 0.15 29 0.15 3 -0.48 30 0.15 31 0.4 32 0.4 4 -0.9 5 0.12 6 0.09 7 0.54 8 0.1 9 -0.15 > 4 > 6 1 1 acceptor 1 2 acceptor 1 4 cation 1 4 donor 6 5 8 9 13 14 16 rings 6 6 11 12 15 17 18 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03B1F9F70000000B > 99.5759 > 30.446 > 10062212 137 18341048601121359855 10646746 165 18201439151640583928 11370993 70 18341609313149575846 12107183 9 17834110840941822978 12162725 195 18410296912627092644 12173636 292 18343013372407495231 12236239 1 18187361030702481891 12251169 10 18408323280834098878 12403814 3 17632573872990646085 12670546 56 18413383237624169570 128620 24 15554450703746242948 13167823 11 18410853265611422282 13583140 156 17417513749315421018 13675066 3 17530969085520179439 13965767 371 17542522539131311737 14004511 7 18334581213438977322 14289901 80 18412825785155352634 14341114 176 18410016541604709110 15375462 478 18343581858521033212 15442244 35 18336828572451592258 15848702 151 18334009458871586710 17349148 13 18040715904440230882 17357779 13 16950550099767408102 17492 89 18411704278831891550 17802600 8 18342453759533094424 17862501 102 18335415764160245938 18186145 218 17313095388861892187 19050596 39 18412266155111229131 192875 21 18335138730053456589 200 152 18338230565467115983 20300324 65 18342175587665419481 21065198 48 18410009910407215314 21267235 1 18409456894259891114 23175994 123 14996284699721700439 23402539 116 18272080600645599311 23557571 272 17703515410749235713 23559900 14 18412820313540856794 312423 11 18335719250738743086 3286 77 18409442622521104732 351380 180 18412542128261350296 4175511 318 17418089923193396599 4214541 1 18411980222000552808 474 4 17894915186830302940 5104073 3 18410011043883034322 57100710 210 18202558505816820807 573450 72 18339634560174464786 67856867 119 18265327481684893592 69090 78 18260544545552610682 7495541 125 17916301817709564859 9709674 26 18411707581756577318 9971528 1 18260264153708933804 9981440 41 17468479669338108528 > 369.31 9.11 2.17 1.1 3.05 1.2 -0.18 -0.63 0.29 -1.45 0.24 0.07 0.04 -1.24 > 789.313 > 203.6 > 2 5 10 $$$$