53347965 -OEChem-04232423463D 62 65 0 1 0 0 0 0 0999 V2000 -1.4865 -1.1064 1.3283 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5642 0.9459 2.6365 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7758 2.5158 -0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0795 1.0624 0.3710 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4286 -1.2521 0.0624 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 1.4812 0.4111 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2387 -2.0033 -0.6570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0554 -0.9425 -0.5911 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8079 -3.1992 -0.4524 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0884 -2.9258 -0.2349 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0668 -1.5710 -1.2082 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4526 -2.9798 -1.5524 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 -1.9574 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2902 -0.8034 1.1243 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6491 2.8881 0.5162 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 3.1844 0.1965 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3962 3.7016 -0.5329 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1280 3.2724 -1.3276 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5536 3.5624 -1.7978 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0370 -1.3734 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8797 0.6156 1.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2083 -1.7259 2.3306 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2354 -1.8599 -0.9432 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2035 -1.5703 -0.3245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 -0.8919 -0.1461 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5130 0.4978 -0.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6094 -1.6213 0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7294 1.1583 -0.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8258 -0.9608 0.3029 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8859 0.4289 0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5493 3.1862 -0.4646 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2134 0.2435 0.6505 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -0.9344 -2.0151 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2892 -3.7530 -0.8116 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3182 -3.3035 -2.5770 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0917 -1.5908 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1184 -2.1616 -0.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3342 -0.7225 0.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9030 3.2227 1.5278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4945 2.4346 0.5894 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9087 4.1562 0.6218 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4235 4.7564 -0.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4271 3.3686 -0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7820 2.3230 -1.7525 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4280 4.0496 -1.6506 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6042 4.4660 -2.4136 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9188 2.7291 -2.4095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1812 1.1049 -0.5031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2412 -1.7033 2.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9584 -1.4379 3.0764 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4107 -2.7630 2.0414 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3002 -1.1457 -1.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5719 -2.8504 -1.2622 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5944 1.0320 -0.4655 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5931 -2.7051 0.2165 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 -1.5913 0.5150 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7723 4.2573 -0.5111 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8179 3.0507 0.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1517 2.9036 -1.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0747 0.9113 0.7567 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4371 -0.4336 -0.1810 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1034 -0.2870 1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 21 2 0 0 0 0 3 28 1 0 0 0 0 3 31 1 0 0 0 0 4 30 1 0 0 0 0 4 32 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 20 1 0 0 0 0 6 15 1 0 0 0 0 6 21 1 0 0 0 0 6 48 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 24 2 0 0 0 0 9 10 2 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 39 1 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 26 54 1 0 0 0 0 27 29 2 0 0 0 0 27 55 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 56 1 0 0 0 0 31 57 1 0 0 0 0 31 58 1 0 0 0 0 31 59 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 53347965 > 1.2 > 1 17 38 187 213 199 261 7 243 256 147 57 30 136 66 163 113 175 168 267 119 222 70 50 161 118 170 190 196 124 215 99 49 64 273 6 182 52 241 133 159 255 32 96 246 201 171 67 101 158 247 179 167 260 203 134 153 229 126 87 216 14 250 152 225 34 45 44 162 169 228 65 166 214 185 9 183 210 248 192 35 114 131 12 209 79 212 155 271 33 176 53 18 42 100 139 103 146 204 240 219 202 61 37 127 75 107 145 194 253 227 258 245 69 200 232 208 60 265 180 188 26 181 242 254 84 120 125 130 112 189 92 226 46 220 144 235 4 104 149 236 13 25 31 97 47 59 193 262 117 56 72 205 63 82 264 24 272 10 74 73 151 251 122 116 43 41 109 237 78 259 197 19 22 141 249 234 177 154 206 129 91 174 191 115 269 198 106 55 224 160 77 23 39 105 148 137 83 138 244 29 8 223 27 121 263 268 85 230 123 71 86 252 211 217 135 68 266 102 128 98 173 186 110 238 20 233 257 132 2 94 172 274 80 239 76 11 93 111 88 150 58 36 81 231 218 142 51 62 143 140 165 54 16 28 5 40 48 89 156 178 95 90 3 221 164 108 195 157 15 270 207 184 21 > 36 1 -0.57 10 -0.23 11 0.05 12 -0.2 13 -0.2 14 0.36 15 0.3 2 -0.57 20 0.57 21 0.57 23 0.32 24 0.46 25 0.05 26 -0.15 27 -0.15 28 0.08 29 -0.15 3 -0.36 30 0.08 31 0.28 32 0.28 33 0.1 34 0.1 35 0.1 36 0.1 37 0.1 4 -0.36 48 0.37 5 -0.51 54 0.15 55 0.15 56 0.15 6 -0.73 7 0.58 8 -0.71 9 -0.42 > 12.6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 6 donor 3 8 10 24 cation 5 15 16 17 18 19 rings 5 7 8 9 10 24 rings 6 25 26 27 28 29 30 rings > 32 > 0 > 1 > 0 > 0 > 0 > 1 > 2 > 032E067D00000001 > 93.127 > 45.676 > 10670039 82 18271802458437091538 10864689 126 17833556691434673372 11061554 47 18059569266317495176 11101153 10 18339640152432633765 14950920 106 17458632262957917058 15264996 74 18270942597484487677 15419008 145 18335686244986153744 15513586 35 18124047972477523777 17686467 74 17985536986757790290 17899979 19 18339639066512848335 21049683 271 18127963317169658655 21315764 268 18190467043528781387 2838139 119 18411701023947567338 3459 110 18408322159610641356 3459 39 18059276718091389466 3552219 110 17773887570412779107 376196 1 17105936116138216349 4144715 1 18188503371670657986 437795 96 18188768327886961764 4742675 86 18261380165952390573 484985 159 9367336042910462061 497634 4 17418097628908408131 508706 21 18260830384215990225 6371009 1 18339353175771589444 6608658 132 18196378245208905014 > 605.18 17.18 4.89 1.58 28.57 3.65 0.65 2.77 2.06 -5.67 -1.95 -3.21 -0.16 -0.08 > 1274.616 > 342.7 > 2 5 10 $$$$