69982453 -OEChem-04242405073D 52 55 0 0 0 0 0 0 0999 V2000 2.7923 2.0671 -0.8558 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.8909 -2.6085 -0.8784 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.8399 -3.3570 -0.1978 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.7522 -4.3457 0.1072 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.2708 -3.4955 -1.8291 F 0 0 0 0 0 0 0 0 0 0 0 0 3.8405 0.3438 1.0048 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 3.3986 -2.0491 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7037 3.4594 -0.0168 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4845 1.6381 0.8351 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1978 1.1934 1.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6056 1.7977 0.0711 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2436 2.6193 -0.7220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5220 2.5001 -0.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6319 1.2494 1.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3111 0.3115 2.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9845 1.5092 0.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5016 0.2160 0.9573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1753 3.4511 -1.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5077 0.6287 1.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6820 0.0401 1.9669 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7114 3.1409 -0.7039 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9541 -1.0033 0.5583 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8535 0.4792 0.7365 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7585 -1.9594 -0.0614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6580 -0.4771 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1104 -1.6965 -0.2822 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2097 -1.0215 0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1703 -3.2623 -0.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5549 -1.0808 0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6472 -1.1074 -1.2318 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7133 -1.1094 0.9362 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8979 -1.1627 -1.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9640 -1.1647 0.3212 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0563 -1.1914 -1.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1887 2.1536 1.8945 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2871 0.8472 2.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3169 -0.1566 2.7502 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2576 3.6096 -1.8867 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2842 4.4442 -1.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1031 2.9719 -2.8149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0963 -0.6371 2.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9048 -1.2152 0.7384 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2965 1.4213 1.0472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7108 -0.2731 -0.0543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4720 -1.5555 0.2073 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2449 -1.5199 1.7983 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5124 3.8372 -2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -1.0830 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 -1.0871 2.0212 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9699 -1.1828 -2.9305 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8660 -1.1864 0.9257 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0302 -1.2342 -1.5493 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 26 1 0 0 0 0 3 28 1 0 0 0 0 4 28 1 0 0 0 0 5 28 1 0 0 0 0 6 19 1 0 0 0 0 6 27 1 0 0 0 0 7 21 1 0 0 0 0 7 47 1 0 0 0 0 8 21 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 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 12 13 2 0 0 0 0 12 18 1 0 0 0 0 13 21 1 0 0 0 0 14 17 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 20 2 0 0 0 0 15 37 1 0 0 0 0 16 19 2 0 0 0 0 17 22 2 0 0 0 0 17 23 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 1 0 0 0 0 20 41 1 0 0 0 0 22 24 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 26 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 25 44 1 0 0 0 0 27 29 1 0 0 0 0 27 45 1 0 0 0 0 27 46 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 48 1 0 0 0 0 31 33 2 0 0 0 0 31 49 1 0 0 0 0 32 34 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END > 69982453 > 1 > 1 133 109 101 148 161 116 114 36 24 12 88 163 9 108 118 159 42 27 134 136 120 152 23 162 149 126 52 59 65 75 96 74 97 99 129 78 160 124 121 95 102 155 80 44 29 68 105 60 128 67 131 98 64 21 3 107 30 151 82 49 139 76 135 110 20 132 33 4 145 142 83 158 17 117 125 115 138 63 34 144 72 119 130 79 43 90 13 112 28 92 111 147 54 18 58 45 100 38 153 37 86 26 143 69 57 77 104 56 141 137 50 41 150 123 81 140 84 40 70 14 103 22 39 62 5 87 73 47 85 31 61 8 156 6 55 2 25 94 71 19 15 51 35 154 46 89 91 122 7 48 113 10 16 127 32 66 106 53 146 157 11 93 > 44 1 -0.19 10 -0.15 12 -0.18 13 -0.24 14 0.4 15 -0.15 16 0.19 17 -0.14 18 0.18 19 0.08 2 -0.19 20 -0.15 21 0.81 22 -0.15 23 -0.15 24 -0.14 25 -0.15 26 0.19 27 0.42 28 1.16 29 -0.14 3 -0.34 30 -0.15 31 -0.15 32 -0.15 33 -0.15 34 -0.15 37 0.15 4 -0.34 41 0.15 42 0.15 43 0.15 44 0.15 47 0.5 48 0.15 49 0.15 5 -0.34 50 0.15 51 0.15 52 0.15 6 -0.36 7 -0.65 8 -0.57 9 0.05 > 7 > 9 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 cation 3 7 8 21 anion 5 9 10 11 12 13 rings 6 10 11 15 16 19 20 rings 6 17 22 23 24 25 26 rings 6 29 30 31 32 33 34 rings > 34 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 042BD8F500000001 > 82.8519 > 45.821 > 10010297 198 17413295125036889412 10042902 136 18341051908320147738 10290309 65 18127698123459646502 10291535 26 8718819907991750217 10622 236 17982723366646613343 10940486 97 18334863762190161172 11069576 57 17190359324384153791 11445158 3 14998578272218604952 11477941 20 17822296769196295820 11497681 19 18270961370865509292 11524674 6 17346595244701796055 11621639 254 16805621260956360092 117089 54 18121226630131653971 12522641 33 18049151178442414773 12522641 68 17466494621622340652 12655364 131 13470133930069521956 13009979 54 18270127936519058305 13690498 29 18259704471587854020 13757389 114 18118683219218277101 13782708 43 18272366460979253986 14040221 310 18188503458065583714 14068700 675 18411420622528116368 14114206 34 17385714803218606161 14117953 113 18410847755959049205 14202776 33 17822856372789788844 14556957 393 17168155494472637548 14767858 380 17530972363128677410 14930077 153 17749115490990153548 15001296 14 18337383959057711850 15230672 131 18122627141915430490 15347590 135 11527655423849561933 15352257 5 17988649541510819526 15461852 350 18335144147447120094 17492 89 17978790439455776307 17686467 74 18336266855892400088 18603816 31 17561069307458060631 19438510 23 10809333425844244100 21424621 283 9079121059625867008 21623969 137 16558754477998003590 23559900 14 18058722636639039481 255183 451 18119530092532513587 2838139 119 11963397379452805850 397830 11 18131055062135680696 4017518 198 18200311005887819615 4280585 95 18408323302282639382 437815 12 17846497041070590794 4435113 14 17702402671266273766 44880168 125 18130220579743991847 6009941 240 17202492091461992000 7237137 82 18115026299509990176 > 640.75 17.64 4.59 1.69 34.74 0.9 0.11 14.24 3.94 -8.05 2.69 0.75 -0.41 -0.29 > 1420.332 > 345.3 > 2 5 10 $$$$