22612671 -OEChem-05112413513D 79 83 0 0 0 0 0 0 0999 V2000 -6.0939 -4.4657 0.3977 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7981 1.9300 -0.9151 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7882 -1.9812 -2.5264 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2862 3.7176 0.8371 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1252 -1.4367 0.2994 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0486 -2.5584 2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7856 -4.1887 0.2647 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9152 -2.5339 1.8212 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6048 -0.5512 -0.2155 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4493 0.6995 -0.3600 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8561 -0.5871 -0.1944 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.4924 2.9422 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5080 1.9195 -0.6805 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0376 3.6642 1.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8667 2.5620 -0.9502 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3973 4.3037 0.8139 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4013 3.2861 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1588 2.2661 0.1595 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5434 1.6514 -1.0963 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2171 1.0011 -0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -0.2767 -0.4168 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0921 0.5388 -0.4492 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9437 -1.2895 -0.2294 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7964 0.2017 0.0592 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0045 0.1601 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3389 -2.1126 -1.2857 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5253 -1.4484 1.0297 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6137 1.4544 0.2907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4034 -0.2766 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1925 1.4569 0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3454 -0.2068 -0.2189 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7975 -1.9904 -0.5510 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6082 2.4320 0.4919 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4987 -2.4267 1.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3123 -3.0910 -1.0835 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3144 0.7795 -0.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 2.0793 0.3362 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8923 -3.2480 0.1754 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 -1.5815 -0.5931 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8403 -2.8891 0.6544 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6228 -2.7545 -2.8018 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0746 4.6341 -0.2308 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2143 -1.7854 2.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3258 3.6966 -0.9345 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1740 1.4725 -1.6215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6290 1.1016 0.0413 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1332 2.9556 1.9192 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3327 4.4398 1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5821 1.7934 -1.2644 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7762 3.2730 -1.7808 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2790 5.1155 0.0857 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7832 4.7549 1.7349 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6283 2.5531 1.0654 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3420 3.7906 0.0338 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4676 3.0066 0.5827 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2979 1.4988 0.9312 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1951 0.8869 -1.5297 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4198 2.4203 -1.8697 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7751 1.6335 -0.5940 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2237 -0.8143 1.8611 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5684 2.3026 0.6164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8657 -2.1687 -1.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5783 -2.2345 -1.2648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6145 -3.7267 -1.9127 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3710 0.5469 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7308 2.8244 0.4894 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8839 -1.6715 -0.5053 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -2.3399 0.0787 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5566 -1.7993 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8813 -3.8167 -2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8496 -2.6000 -2.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2265 -2.4419 -3.7718 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8204 5.6077 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9841 4.7430 -0.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2451 4.3044 -0.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9755 -0.7172 2.7269 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5665 -2.0435 3.7514 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0114 -2.0034 2.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8133 -4.8013 1.0303 H 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 0 0 0 0 2 20 1 0 0 0 0 2 22 1 0 0 0 0 3 26 1 0 0 0 0 3 41 1 0 0 0 0 4 33 1 0 0 0 0 4 42 1 0 0 0 0 5 29 2 0 0 0 0 6 34 1 0 0 0 0 6 43 1 0 0 0 0 7 40 1 0 0 0 0 7 79 1 0 0 0 0 8 40 2 0 0 0 0 9 21 1 0 0 0 0 9 22 2 0 0 0 0 10 22 1 0 0 0 0 10 29 1 0 0 0 0 10 59 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 12 44 1 0 0 0 0 13 15 1 0 0 0 0 13 45 1 0 0 0 0 13 46 1 0 0 0 0 14 16 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 17 1 0 0 0 0 15 49 1 0 0 0 0 15 50 1 0 0 0 0 16 17 1 0 0 0 0 16 51 1 0 0 0 0 16 52 1 0 0 0 0 17 53 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 1 0 0 0 0 19 57 1 0 0 0 0 19 58 1 0 0 0 0 20 21 2 0 0 0 0 21 23 1 0 0 0 0 23 26 1 0 0 0 0 23 27 2 0 0 0 0 24 29 1 0 0 0 0 24 30 2 0 0 0 0 25 28 1 0 0 0 0 25 31 2 0 0 0 0 26 35 2 0 0 0 0 27 34 1 0 0 0 0 27 60 1 0 0 0 0 28 30 1 0 0 0 0 28 33 2 0 0 0 0 30 61 1 0 0 0 0 31 36 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 32 62 1 0 0 0 0 32 63 1 0 0 0 0 33 37 1 0 0 0 0 34 38 2 0 0 0 0 35 38 1 0 0 0 0 35 64 1 0 0 0 0 36 37 2 0 0 0 0 36 65 1 0 0 0 0 37 66 1 0 0 0 0 39 67 1 0 0 0 0 39 68 1 0 0 0 0 39 69 1 0 0 0 0 41 70 1 0 0 0 0 41 71 1 0 0 0 0 41 72 1 0 0 0 0 42 73 1 0 0 0 0 42 74 1 0 0 0 0 42 75 1 0 0 0 0 43 76 1 0 0 0 0 43 77 1 0 0 0 0 43 78 1 0 0 0 0 M END > 22612671 > 1.2 > 1 17 12 62 84 93 21 97 26 76 68 42 85 73 14 75 88 64 96 31 44 98 46 91 32 49 10 79 53 9 71 95 43 87 30 7 54 55 15 69 94 74 35 24 56 77 16 27 65 13 78 45 61 70 63 80 58 8 20 60 57 86 72 19 90 92 48 11 50 66 52 28 83 41 37 51 89 39 40 59 4 18 23 3 38 82 81 36 67 47 5 29 34 25 33 22 2 6 > 42 1 -0.18 10 -0.49 11 0.05 19 0.18 2 -0.08 20 -0.14 21 0.17 22 0.44 23 0.05 24 -0.24 25 -0.15 26 0.08 27 -0.15 29 0.71 3 -0.36 30 -0.15 31 -0.14 32 0.32 33 0.08 34 0.08 35 -0.15 36 -0.15 37 -0.15 38 0.18 39 0.14 4 -0.36 40 0.66 41 0.28 42 0.28 43 0.28 5 -0.57 59 0.37 6 -0.36 60 0.15 61 0.15 64 0.15 65 0.15 66 0.15 7 -0.65 79 0.5 8 -0.57 9 -0.57 > 13.2 > 14 1 10 donor 1 11 cation 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 acceptor 3 7 8 40 anion 5 11 24 25 28 30 rings 5 2 9 20 21 22 rings 6 12 13 14 15 16 17 rings 6 23 26 27 34 35 38 rings 6 25 28 31 33 36 37 rings > 43 > 0 > 0 > 0 > 0 > 0 > 1 > 3 > 01590ABF00000001 > 122.8603 > 71.203 > 10050765 1 18410291414958112502 10580692 12 18410012143368352585 12522641 33 18198901410880831125 12539765 74 17559958719405579605 13782708 43 18186793674592883666 14118638 360 18336540603490131102 15064986 266 18412825794003685319 15347591 1 18411981369036843886 15439362 3 18054229826776234757 19301679 30 18264218087728006475 2747138 104 18043538419756297738 335507 130 18268429213156851452 4073 2 18335138704673568712 4938544 92 18410578396863599049 5028188 123 18409459102933066956 5104073 3 18260824882763499314 6009941 240 18333735701945728593 6086070 43 17131538514340547297 6698420 124 18268153050907454145 9831232 110 18201169776283404006 > 840.48 27.53 6.24 1.61 19.15 0.72 0.04 16.44 5.55 -8.02 0.89 -2.86 -1.48 0.78 > 1794.415 > 473.8 > 2 5 10 $$$$