10782 -OEChem-10101914453D 42 43 0 1 0 0 0 0 0999 V2000 1.4102 0.3756 -0.1046 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6525 2.1568 -0.8684 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4203 0.0550 0.1891 N 0 0 1 0 0 0 0 0 0 0 0 0 -4.7289 0.7424 0.0943 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8633 -0.2022 0.5406 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4041 -1.1731 -0.6253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8654 -1.5031 -0.2515 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4922 -2.1539 -0.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3038 0.9145 -0.2154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7955 2.0103 0.9577 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9753 0.2051 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2058 1.0830 -0.3651 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5663 1.0309 -0.4033 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7469 0.1875 -0.0879 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9258 0.8021 0.2815 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6282 -1.1846 -0.1734 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0349 0.0099 0.5781 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7374 -1.9767 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9407 -1.3794 0.4991 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9149 1.0345 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8345 0.2918 0.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7601 -0.4310 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4781 -1.7397 -0.5088 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5182 -0.9377 -1.6917 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1340 -1.2980 -1.2950 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6227 -2.1861 0.1485 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2928 -2.5036 0.8264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4754 -3.0367 -0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 1.2138 -1.2675 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2835 1.8299 0.3845 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1701 2.8124 0.5539 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8187 2.4014 0.9926 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4812 1.8095 1.9880 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8783 -0.0926 1.0777 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8605 -0.7083 -0.5645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1950 2.0093 0.2213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1522 1.3331 -1.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0104 1.8826 0.3500 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7072 -1.6736 -0.4764 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9717 0.4747 0.8714 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6654 -3.0586 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8044 -1.9962 0.7296 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 13 1 0 0 0 0 2 13 2 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 10 1 0 0 0 0 4 20 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 8 1 0 0 0 0 6 23 1 0 0 0 0 6 24 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 M END > 10782 > 0.8 > 19 346 148 317 205 282 106 227 270 290 108 182 146 324 45 156 112 287 130 301 196 139 311 302 334 29 170 325 4 291 230 149 352 145 256 309 32 178 237 350 356 357 48 299 164 327 351 296 84 5 220 214 253 275 27 136 310 134 105 239 151 331 51 226 14 98 43 144 258 42 34 240 202 268 66 11 337 213 30 114 286 336 292 10 132 307 181 318 257 314 232 80 125 265 235 211 345 216 128 54 330 147 85 188 348 158 289 160 201 111 198 169 109 135 78 140 117 96 224 298 278 91 1 241 300 113 207 173 285 332 281 68 248 184 88 246 339 123 64 303 304 87 342 93 187 129 150 335 75 222 49 321 20 12 194 199 328 172 197 154 118 122 283 219 58 313 326 242 218 306 86 195 228 8 260 206 225 294 120 92 121 347 159 354 217 127 180 60 271 320 190 40 341 161 143 288 70 277 94 95 315 79 322 176 35 97 74 353 349 116 59 18 229 77 329 107 16 72 110 204 233 297 81 193 261 36 67 276 138 323 293 191 269 340 272 254 62 152 28 141 267 250 38 44 31 266 252 155 316 244 183 100 284 124 249 76 263 90 115 133 13 238 175 41 171 142 262 162 279 37 338 165 192 83 200 119 168 39 89 212 319 264 131 273 274 305 179 157 247 73 355 234 231 46 17 210 15 101 221 137 312 174 7 69 82 236 26 215 52 166 24 259 9 56 103 333 104 47 358 55 153 223 251 185 243 208 57 102 359 50 186 163 209 23 167 33 25 189 6 3 255 71 177 65 295 21 53 308 203 343 245 22 2 126 61 63 344 99 280 > 19 1 -0.43 12 0.28 13 0.63 14 0.09 15 -0.15 16 -0.15 17 -0.15 18 -0.15 19 -0.15 2 -0.57 3 -0.81 38 0.15 39 0.15 4 0.27 40 0.15 41 0.15 42 0.15 6 0.27 9 0.27 > 7.2 > 4 1 2 acceptor 1 3 cation 6 14 15 16 17 18 19 rings 6 3 4 5 6 7 8 rings > 19 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 00002A1E00000013 > 33.2605 > 20.297 > 10595046 47 18339082712843547589 11315181 36 18411982481702262601 12107183 9 17979641134705201785 12236239 1 18411419509614537401 12516196 113 18410009936214241152 12596602 18 18060137635316012898 12616971 3 18040443191466024365 13073987 5 18341613754192888409 13167823 11 18410292531971525263 13533116 47 18410856590264041888 13551218 46 18411419492783165735 13668630 136 17240483619720837699 13685833 64 18187086165321594467 14211702 104 18337681905165813627 14251732 16 18342736360149809456 14251751 18 18412261735510656296 14251764 18 18411983580543652565 14341114 176 18413111632440184948 15183329 4 18260546718800651322 15250474 111 18269550692661898375 15348495 7 17846773048416705666 17844677 252 18342462555721237713 17857418 61 18410291428075278959 1813 80 17458632189679937020 19489759 90 17846778495142189873 20028762 73 18412541007739863318 20645477 70 18040997371380784380 21033648 29 15338850733327021841 21065198 48 18412548733836850509 220451 1 18410582781429239156 22061861 79 15357691976911410490 23081809 10 18260272949179853612 23402539 116 18409445882227391013 23522609 53 18044687272158910964 23536379 177 18412826871628876857 23559900 14 18269826662165469745 2767999 5 12391509776220103778 3004659 81 18260831497213523278 338550 245 18409731798137268366 351380 3 18113897143753959418 3663271 9 18272933821278480520 4073 2 18187368787197128242 4214541 1 18411700976571103501 465052 167 18412829079880519958 5104073 3 18272094932761835193 559249 180 18409727340514556919 57483677 66 18409165510819645099 59682541 35 18341038710645108264 67856867 119 18340487884314172672 7495541 125 17917146199246853904 9965369 4 18411136914210349851 9971528 1 17822291335461376932 > 374.29 18.18 2.1 0.79 0.79 0.29 -0.03 5.57 -3.28 -0.81 0.07 -0.09 -0.13 -1.22 > 764.625 > 216.6 > 2 5 10 $$$$