2265 -OEChem-03282415073D 26 28 0 0 0 0 0 0 0999 V2000 -0.3031 0.3792 -1.6099 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4400 -1.8923 -1.2402 O 0 5 0 0 0 0 0 0 0 0 0 0 -4.0960 -1.7222 0.1910 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5345 1.9027 0.2762 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8464 1.1503 -0.9043 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2828 0.7329 0.9880 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 -1.5203 0.1226 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2709 0.0937 0.4460 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0629 -1.2410 -0.3546 N 0 3 0 0 0 0 0 0 0 0 0 0 2.7516 -1.6762 1.1312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5468 0.7425 -0.3987 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1576 0.0841 -0.3999 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8755 -0.4037 -0.5598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6030 0.0276 0.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6133 1.8570 1.1147 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0630 -0.5562 0.4355 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6065 3.0078 0.1901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1068 1.1139 -0.3689 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4812 -2.0798 0.9146 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8626 2.6627 1.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3689 2.6716 0.5490 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5500 3.3418 -0.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9628 3.8306 0.8156 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4929 1.8418 -1.5523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8519 1.8575 -0.6132 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1750 -2.9736 1.4473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 9 1 0 0 0 0 3 9 2 0 0 0 0 4 11 1 0 0 0 0 4 15 1 0 0 0 0 4 17 1 0 0 0 0 5 12 1 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 13 2 0 0 0 0 7 19 1 0 0 0 0 8 16 1 0 0 0 0 8 18 2 0 0 0 0 9 14 1 0 0 0 0 10 16 1 0 0 0 0 10 19 2 0 0 0 0 11 14 2 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 15 20 1 0 0 0 0 17 21 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 18 25 1 0 0 0 0 19 26 1 0 0 0 0 M CHG 2 2 -1 9 1 M END > 2265 > 0.6 > 1 14 11 7 18 13 5 8 16 9 10 12 15 6 3 17 4 2 > 23 1 -0.16 10 -0.57 11 -0.1 12 -0.15 13 0.41 14 0.31 15 0.04 16 0.48 17 0.26 18 0.04 19 0.47 2 -0.52 20 0.15 24 0.27 25 0.15 26 0.15 3 -0.52 4 0.05 5 0.03 6 -0.57 7 -0.62 8 -0.57 9 0.96 > 3 > 11 1 2 acceptor 1 2 anion 1 3 acceptor 1 5 donor 1 7 acceptor 3 4 6 15 cation 3 5 8 18 cation 3 7 10 19 cation 5 4 6 11 14 15 rings 5 5 8 12 16 18 rings 6 7 10 12 13 16 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 4 > 000008D900000001 > 35.6611 > 56.034 > 10165383 225 15913060853425008748 1100329 8 17977667841818958763 11132069 177 18342460326527436500 11578080 2 18116410696213515909 12251169 10 18191867812393937264 12382932 28 18342181007882641293 12553582 1 18199178658866177023 13032168 30 18261674899419641403 13693222 15 17748825185544610396 13764800 53 17131552734961381513 14178342 30 18048016494461645330 14223421 5 18339642231117768148 14289901 80 18335138653018079328 14341114 328 18411991264456825872 14787075 74 18050005794178985012 15375462 189 18335990852028687009 15442244 35 18192144894083789194 15775835 57 18342743974926365192 16945 1 18050286972739531708 17492 89 18336263440349810691 18981168 100 15553577713036091960 19050596 39 18408322164079272456 200 152 18261382373518146503 20442098 301 18337671884769014154 23388829 49 18334299785601652437 23402539 116 18272363230520386142 23493267 7 17632024026597387824 23557571 272 17917724516788153148 23559900 14 17986682462766631870 23566358 27 18263657164582287670 23590187 214 18187363207881538450 34934 24 18409450254773169041 392239 28 18122908891305110480 7097593 13 17975410213930013938 90316 7 18339366262411054241 9925002 15 16697217303505635660 > 348.25 7.05 2.53 1.16 1.95 0.5 -0.18 -0.57 1.1 -1.13 0.44 -0.16 -0.06 -1.35 > 757.591 > 193.6 > 2 5 10 $$$$