5464924 -OEChem-06191322153D 54 61 0 0 0 0 0 0 0999 V2000 0.5171 4.8046 0.0398 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5180 -4.8046 -0.0382 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 1.0753 0.1667 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4702 -1.0746 -0.1687 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9990 4.9139 0.0210 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9982 -4.9142 -0.0190 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0334 4.9140 0.0447 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0342 -4.9136 -0.0436 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2912 0.3499 -1.6875 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2955 -0.3498 1.6854 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 1.3726 -0.0840 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5360 -1.3730 0.0789 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 0.7081 0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5174 -0.7081 -0.0055 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7179 1.4109 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7178 -1.4111 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7525 1.4111 0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7528 -1.4109 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9542 0.7134 0.0059 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 -0.7138 -0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 0.7138 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9889 -0.7134 -0.0061 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7495 2.8247 0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7491 -2.8248 -0.0212 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7838 2.8248 0.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7843 -2.8246 -0.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5171 3.5807 0.0286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5177 -3.5808 -0.0273 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1480 1.4846 0.0119 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 -1.4852 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1826 1.4851 0.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1829 -1.4846 -0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9427 3.5526 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9422 -3.5530 -0.0264 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9770 3.5529 0.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9776 -3.5525 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1453 2.8767 0.0228 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1448 -2.8773 -0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1796 2.8772 0.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 -2.8767 -0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4365 1.0863 -0.5558 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4378 -1.0867 0.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0652 3.4555 -0.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0648 -3.4563 0.0443 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0992 3.4584 0.0518 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0999 -3.4577 -0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1161 1.7818 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1164 -1.7809 -0.0026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1156 5.2994 -0.0697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 -5.2997 0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 5.3013 0.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 -5.3011 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1566 0.0900 -2.0696 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1620 -0.0897 2.0651 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 28 2 0 0 0 0 3 31 1 0 0 0 0 3 47 1 0 0 0 0 4 32 1 0 0 0 0 4 48 1 0 0 0 0 5 33 1 0 0 0 0 5 49 1 0 0 0 0 6 34 1 0 0 0 0 6 50 1 0 0 0 0 7 35 1 0 0 0 0 7 51 1 0 0 0 0 8 36 1 0 0 0 0 8 52 1 0 0 0 0 9 41 1 0 0 0 0 9 53 1 0 0 0 0 10 42 1 0 0 0 0 10 54 1 0 0 0 0 11 41 2 0 0 0 0 12 42 2 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 23 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 17 21 2 0 0 0 0 17 25 1 0 0 0 0 18 22 2 0 0 0 0 18 26 1 0 0 0 0 19 20 2 0 0 0 0 19 29 1 0 0 0 0 20 30 1 0 0 0 0 21 22 1 0 0 0 0 21 31 1 0 0 0 0 22 32 1 0 0 0 0 23 27 1 0 0 0 0 23 33 2 0 0 0 0 24 28 1 0 0 0 0 24 34 2 0 0 0 0 25 27 1 0 0 0 0 25 35 2 0 0 0 0 26 28 1 0 0 0 0 26 36 2 0 0 0 0 29 37 2 0 0 0 0 29 41 1 0 0 0 0 30 38 2 0 0 0 0 30 42 1 0 0 0 0 31 39 2 0 0 0 0 32 40 2 0 0 0 0 33 37 1 0 0 0 0 34 38 1 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 M END > 5464924 > 0.8 > 1 > 44 1 -0.57 10 -0.65 11 -0.57 12 -0.57 2 -0.57 23 0.09 24 0.09 25 0.09 26 0.09 27 0.4 28 0.4 29 0.09 3 -0.53 30 0.09 31 0.08 32 0.08 33 0.08 34 0.08 35 0.08 36 0.08 37 -0.15 38 -0.15 39 -0.15 4 -0.53 40 -0.15 41 0.63 42 0.63 43 0.15 44 0.15 45 0.15 46 0.15 47 0.45 48 0.45 49 0.45 5 -0.53 50 0.45 51 0.45 52 0.45 53 0.5 54 0.5 6 -0.53 7 -0.53 8 -0.53 9 -0.65 > 2 > 22 1 1 acceptor 1 10 acceptor 1 11 acceptor 1 12 acceptor 1 2 acceptor 1 3 donor 1 4 donor 1 5 donor 1 6 donor 1 7 donor 1 8 donor 1 9 acceptor 3 10 12 42 anion 3 9 11 41 anion 6 13 14 15 16 19 20 rings 6 13 14 17 18 21 22 rings 6 13 15 17 23 25 27 rings 6 14 16 18 24 26 28 rings 6 15 19 23 29 33 37 rings 6 16 20 24 30 34 38 rings 6 17 21 25 31 35 39 rings 6 18 22 26 32 36 40 rings > 42 > 0 > 0 > 0 > 0 > 0 > 1 > 986 > 0053635C00000001 > 241.78 > 112.204 > 10290309 65 18121779701316746452 10675989 125 18337658793903939983 1100329 8 18411136922235807818 11136131 41 18261667074917656178 11513181 2 18129656375021596430 13140716 1 18123755515094902081 138480 1 18338798901441096296 144659 178 17905054646970119798 14790565 3 17977671136365245692 15320467 1 18410856555355371780 15400415 2 18122625221912464457 15927050 60 18196656417408472975 16112460 7 18055363444196483377 19591789 44 18338518525717563576 19930381 70 18409729543067836801 20764821 26 18410007766754304582 20775438 99 17335292450616945503 22311459 1 18410856568857432654 23559900 14 18411694387869647512 3380486 145 18191600837659523467 350125 39 18410296873935424736 3882209 13 17397787252156411091 5265222 85 17831593333356860764 > 793.91 9.6 7.59 0.71 1.14 0 0 0 0 -2.81 0 0.51 0 0.33 > 1930.108 > 377.5 > 2 5 10 $$$$