72675115 -OEChem-05072404113D 87 92 0 1 0 0 0 0 0999 V2000 0.7205 1.1860 -0.9499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5105 -1.5155 2.4003 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6831 -4.5986 1.4703 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5478 -0.1934 0.9051 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 -1.4952 -1.3958 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7543 -1.8360 0.9240 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4043 1.7011 1.0128 N 0 0 2 0 0 0 0 0 0 0 0 0 3.3780 -1.8195 -0.8496 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9380 -0.4824 -0.3873 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3232 0.8956 -0.0135 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1112 -1.6209 -0.3851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3873 1.9953 0.0169 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0985 -2.3782 1.9776 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6189 -0.4635 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0758 -1.4673 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9274 -1.0090 0.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4952 0.2410 -0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4802 2.3709 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2593 1.3713 0.8474 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2830 0.1830 -1.2242 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3074 2.3664 0.5461 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1873 -1.1196 -1.7129 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4941 -3.6714 2.5332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6519 2.4063 0.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2861 -1.3426 3.0790 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9381 2.0622 2.3545 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 1.7376 -0.4058 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0886 -3.2357 -0.9695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0133 1.4561 2.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0720 1.1136 -1.9325 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1363 3.4272 1.4528 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8384 -1.5409 -2.8777 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8509 0.4127 -0.2881 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8238 2.5145 2.9156 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7283 0.7076 -3.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8849 3.4990 2.6282 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6115 -0.6004 -3.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7020 2.4759 -1.5537 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5297 -0.1900 -1.3562 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4219 1.8931 -2.5932 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8365 0.5653 -2.4940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5450 -1.1074 1.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3508 -2.4836 0.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0671 -2.4104 -0.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7087 -0.7358 0.3496 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1472 0.8049 0.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3617 -2.5712 -0.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8504 -1.4127 -1.1596 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7937 2.1154 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9429 2.9739 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0752 -2.6191 1.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9074 -0.1945 -2.5529 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4500 0.2368 -1.8173 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 -1.4536 -2.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8370 3.2536 -0.7905 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1719 2.4694 -1.5664 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4508 -3.5350 3.0434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -4.1201 3.2518 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4601 3.4653 0.4853 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3177 2.4062 1.5811 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6225 -1.0825 3.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9968 -1.7224 3.8225 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7136 -0.4285 2.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 1.6618 2.5920 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6285 1.6690 3.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8792 3.1503 2.4819 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9810 -3.7544 -1.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2656 -3.3595 -1.6769 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8274 -3.6494 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7537 0.6963 2.2713 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1729 2.1374 -1.5836 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4119 4.2124 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7518 -2.5563 -3.2492 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4091 2.5704 3.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3355 1.4221 -3.6491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7358 4.3259 3.3163 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1290 -0.8954 -4.4730 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0412 -5.4132 1.8624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3766 3.5082 -1.6505 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6522 2.4686 -3.4849 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3822 0.1160 -3.3202 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4450 -1.1844 2.4499 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5545 -0.7160 1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2527 -3.0780 0.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5160 -3.0020 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0186 -2.1586 -0.9488 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2320 -3.3974 -1.1949 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 23 1 0 0 0 0 3 78 1 0 0 0 0 4 33 1 0 0 0 0 4 42 1 0 0 0 0 5 39 1 0 0 0 0 5 44 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 15 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 8 16 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 9 45 1 0 0 0 0 10 12 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 23 1 0 0 0 0 13 25 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 14 54 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 21 1 0 0 0 0 19 29 2 0 0 0 0 20 22 1 0 0 0 0 20 30 2 0 0 0 0 21 31 2 0 0 0 0 22 32 2 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 27 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 61 1 0 0 0 0 25 62 1 0 0 0 0 25 63 1 0 0 0 0 26 64 1 0 0 0 0 26 65 1 0 0 0 0 26 66 1 0 0 0 0 27 33 2 0 0 0 0 27 38 1 0 0 0 0 28 67 1 0 0 0 0 28 68 1 0 0 0 0 28 69 1 0 0 0 0 29 34 1 0 0 0 0 29 70 1 0 0 0 0 30 35 1 0 0 0 0 30 71 1 0 0 0 0 31 36 1 0 0 0 0 31 72 1 0 0 0 0 32 37 1 0 0 0 0 32 73 1 0 0 0 0 33 39 1 0 0 0 0 34 36 2 0 0 0 0 34 74 1 0 0 0 0 35 37 2 0 0 0 0 35 75 1 0 0 0 0 36 76 1 0 0 0 0 37 77 1 0 0 0 0 38 40 2 0 0 0 0 38 79 1 0 0 0 0 39 41 2 0 0 0 0 40 41 1 0 0 0 0 40 80 1 0 0 0 0 41 81 1 0 0 0 0 42 43 1 0 0 0 0 42 82 1 0 0 0 0 42 83 1 0 0 0 0 43 44 1 0 0 0 0 43 84 1 0 0 0 0 43 85 1 0 0 0 0 44 86 1 0 0 0 0 44 87 1 0 0 0 0 M END > 72675115 > 1 > 1 174 234 205 265 155 326 10 258 176 310 120 255 220 136 260 362 144 46 240 71 298 261 216 2 95 299 26 301 360 156 257 318 380 123 306 178 194 270 227 158 41 142 274 231 201 289 48 9 54 288 198 382 57 213 188 200 275 212 381 286 204 78 377 300 305 296 114 192 328 303 22 69 280 187 92 164 277 184 180 251 311 87 105 190 38 16 232 369 129 294 167 317 215 365 292 121 210 279 325 242 307 250 59 170 79 168 281 221 304 371 107 146 241 138 313 291 77 83 73 333 151 103 238 348 119 56 135 376 230 33 126 186 321 94 177 287 58 271 15 285 384 262 128 67 266 222 209 112 31 276 372 223 309 224 28 319 25 93 152 297 373 208 19 134 327 175 219 42 99 52 124 110 88 5 352 214 62 3 139 60 233 367 322 172 115 278 331 17 334 342 130 148 100 295 108 207 153 191 315 341 36 157 252 237 30 363 171 86 368 149 98 329 236 254 282 29 211 330 145 74 284 320 269 55 203 356 66 154 263 379 65 339 150 314 256 302 264 323 351 244 199 206 161 21 273 163 82 35 183 20 344 147 14 70 243 193 84 166 68 385 335 143 91 102 133 159 12 247 109 355 357 378 101 246 64 290 18 61 127 217 40 347 24 366 44 8 228 181 11 111 337 97 267 34 162 141 272 32 4 312 47 268 122 239 7 374 248 361 160 358 117 332 197 185 96 308 85 354 51 72 81 324 346 345 116 253 140 131 27 76 80 37 39 343 132 89 106 182 53 169 165 370 202 229 336 179 359 6 195 75 226 137 383 63 23 225 125 218 173 283 43 338 259 340 235 49 196 249 45 349 364 113 353 13 50 350 104 118 90 189 293 316 245 375 > 51 1 -0.56 10 0.28 11 0.3 12 0.27 13 0.3 15 0.71 16 -0.24 17 -0.05 18 0.42 19 0.05 2 -0.57 21 -0.14 22 -0.15 23 0.28 24 0.41 26 0.27 27 -0.14 28 0.26 29 -0.15 3 -0.68 30 -0.15 31 -0.15 32 -0.15 33 0.08 34 -0.15 35 -0.15 36 -0.15 37 -0.15 38 -0.15 39 0.08 4 -0.36 40 -0.15 41 -0.15 42 0.28 44 0.28 5 -0.36 6 -0.66 7 -0.81 70 0.15 71 0.15 72 0.15 73 0.15 74 0.15 75 0.15 76 0.15 77 0.15 78 0.4 79 0.15 8 0.05 80 0.15 81 0.15 > 8.2 > 13 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 3 donor 1 4 acceptor 1 5 acceptor 1 7 cation 1 8 cation 5 8 16 17 20 22 rings 6 19 21 29 31 34 36 rings 6 20 22 30 32 35 37 rings 6 27 33 38 39 40 41 rings 7 4 5 33 39 42 43 44 rings > 44 > 0 > 3 > 0 > 0 > 0 > 1 > 1 > 0454EF2B00000001 > 149.2362 > 66.077 > 10169797 241 18341617070113142250 10974685 15 17967799545141040997 11007060 377 18042706042188293140 11093857 51 18113344102596161846 11285246 1 18271537419883693225 12156800 1 14171752383663716128 12166972 35 16128664033113780212 13782708 43 16486976137795058294 14068700 675 15482397452468871684 14347329 18 17676779746269489546 15001296 14 18129362939183010029 15082195 135 17603581933093801597 15324884 4 17692551304905856690 17909252 39 18059585718722273846 20775438 99 17774140431515140654 22393880 68 18335976498427526773 23559900 14 17846213337074756261 513532 50 17774710992730871392 86090 222 18337388352655885209 > 861.21 14.26 4.35 3.57 12.36 0.66 -0.27 0.15 -11.22 -1.18 3 -3.15 0.34 3.33 > 1871.272 > 468.3 > 2 5 10 $$$$