70233953 -OEChem-03292407483D 62 65 0 1 0 0 0 0 0999 V2000 -5.9304 -1.0422 0.6264 P 0 0 0 0 0 0 0 0 0 0 0 0 2.3245 1.0686 -0.5295 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.5219 1.2056 -2.1426 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1744 -2.1181 -1.7451 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1759 0.5575 1.2297 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6502 0.4925 0.1844 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1223 1.0739 0.3643 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4262 -1.7494 -0.7408 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2867 -0.9294 1.4998 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7845 -1.7191 1.3199 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9650 -0.0761 -0.7254 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2698 0.2598 0.6139 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1017 -0.4288 0.8233 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0733 -0.2801 -0.3853 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0415 1.0520 -0.8171 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2839 1.8045 0.7051 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0391 0.0100 -1.9127 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2893 2.3087 -0.3428 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3756 -0.7147 -1.6967 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4819 -0.9491 -0.1119 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7428 0.0505 2.1414 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6076 -1.4786 -0.6948 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0863 -0.6142 2.4097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9994 -0.4155 1.2279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2643 0.7675 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1500 3.4624 0.1642 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4460 -2.4923 -0.0244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4450 -0.6162 -1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1658 0.2324 1.3748 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5901 0.7565 -0.7100 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6065 0.0307 -1.1052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 0.4908 0.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8983 -0.1028 1.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8907 -1.4999 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6932 2.2530 0.5060 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5687 2.1078 1.7197 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2777 1.0559 -2.1352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4414 -0.3879 -2.8162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7259 2.7181 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0134 -0.4528 -2.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0664 -0.1600 2.9789 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8911 1.1370 2.1238 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3108 -1.5997 0.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8672 -2.2695 -0.5555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1481 -1.6879 -1.6239 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9498 -1.6838 2.6049 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5166 -0.1897 3.3250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5227 4.3317 0.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8803 3.7636 -0.5938 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6912 3.2056 1.0799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -2.8597 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3819 -2.8867 0.3936 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3329 -2.9620 -1.0078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6875 0.3257 -2.5205 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1817 -0.9523 -2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7771 -2.3319 -2.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4949 0.6058 2.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5878 -0.0047 -1.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7705 1.7424 -1.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2499 0.2230 -1.9558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5862 -2.7172 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6193 -1.7265 1.9648 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 14 1 0 0 0 0 3 15 1 0 0 0 0 3 54 1 0 0 0 0 4 19 1 0 0 0 0 4 56 1 0 0 0 0 5 25 2 0 0 0 0 6 30 1 0 0 0 0 7 32 2 0 0 0 0 8 61 1 0 0 0 0 9 62 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 11 22 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 33 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 34 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 26 1 0 0 0 0 18 39 1 0 0 0 0 19 40 1 0 0 0 0 20 24 1 0 0 0 0 20 27 1 0 0 0 0 20 28 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 29 2 0 0 0 0 25 30 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 32 1 0 0 0 0 29 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 M END > 70233953 > 0.8 > 1 182 23 90 197 96 192 220 193 134 81 113 207 80 103 51 213 27 212 144 169 222 19 31 18 66 102 75 116 7 78 178 132 101 126 209 93 184 217 189 147 74 112 3 117 170 42 136 187 41 58 195 88 86 128 25 56 16 164 191 22 167 204 200 55 85 142 73 121 127 94 162 60 154 181 146 61 11 59 33 76 208 30 149 218 135 91 57 10 198 119 13 171 203 115 166 28 185 26 163 186 124 67 141 71 5 221 196 44 46 137 82 172 36 138 206 201 123 17 9 15 183 155 68 69 87 177 180 199 106 37 35 79 8 24 129 2 104 179 210 54 211 190 110 156 150 89 70 100 6 62 175 145 173 140 143 125 214 29 202 215 194 131 47 157 48 49 99 38 160 161 174 109 52 92 139 98 205 83 148 152 159 176 133 168 114 219 158 20 105 108 21 165 97 153 118 39 40 130 65 63 151 53 95 188 14 72 32 12 43 84 4 34 120 45 64 216 107 111 122 77 50 > 29 1 1.51 10 -0.7 14 0.34 15 0.34 19 0.28 2 -0.34 20 0.28 23 0.14 24 -0.28 25 0.45 28 -0.29 29 -0.14 3 -0.68 30 0.34 31 -0.14 32 0.54 4 -0.68 5 -0.57 54 0.4 55 0.15 56 0.4 57 0.15 6 -0.55 60 0.15 61 0.5 62 0.5 7 -0.57 8 -0.77 9 -0.77 > 5.4 > 14 1 10 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 5 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 8 9 10 anion 5 11 12 15 16 18 rings 6 11 12 13 14 17 19 rings 6 13 14 20 21 23 24 rings 6 20 24 28 29 31 32 rings > 32 > 4 > 4 > 0 > 0 > 0 > 1 > 6 > 042FAF6100000001 > 72.1378 > 71.292 > 10 15 18411416246225291600 10165383 225 17561367296689356310 10674148 151 14476965593358987114 11578080 2 17629492891075998905 11796584 16 17748824108135846107 11963148 33 18412256255360455127 12107698 1 18260547844208923740 12236239 1 17603581898390917896 12403259 415 17346304969500827368 12516196 113 18409732872279395129 12596602 18 17967808319526949296 12730499 353 17632861915131056358 12788726 201 18187082845375087627 13224815 77 17703215223000806452 13583140 156 17749937895781304924 13782708 43 17987525818603861430 13914758 101 12324227365481874948 14787075 74 17967535691824061848 14840074 17 17489582359701935317 14849402 71 15984818302332060187 14955137 171 17775568666881017369 15142383 8 11455892447424620954 15183329 4 15140951864805816167 15238133 3 12319734765186888315 15301273 46 17918277537352250857 15475509 8 14189308070901854032 15788980 27 10447634817023394684 17349148 13 13912327846022161540 17492 89 18194119612519462970 17857418 61 16588021303595258907 18186145 218 16342837881750560968 18335252 98 18409172112448441602 18608769 82 17988921206096294182 19315092 285 16516505734710376400 200 152 16081090359613170605 20028762 73 16588295052316611066 20511986 3 16660630852491442385 21033648 29 17559938961975437720 21223535 225 12685355354757226319 21521721 280 17489870470824825410 21792961 116 17704080569449847422 21859007 373 9799417663701174658 23522609 53 15769223872003756688 23559900 14 17765429847118342406 23569917 315 16805322167966240546 23569943 247 16629688305989812510 2838139 119 9871752365208430979 3009799 131 13406790038568931022 32027 91 17464522114519998915 34797466 226 18411989078866871124 350125 39 17632576071676401688 4093350 32 12967127251167334680 4325135 7 17603584145107310746 4340502 62 18408039607267116946 469060 322 18271822176410921681 474113 269 11963927318498937904 5104073 3 18127974109403913770 5381727 24 18259700121924972506 58260988 393 18260828176940514064 59755656 520 15123789591401163013 633830 44 14548151269806218736 9962374 69 18265057024148792307 > 608.17 14.83 2.17 1.87 6.62 0.82 -0.21 -3.34 -3.45 1.71 0.17 -0.61 -0.33 0.93 > 1300.206 > 341.2 > 2 5 10 $$$$