5460671 -OEChem-10201905323D 39 39 0 1 0 0 0 0 0999 V2000 1.1640 0.9154 -1.6866 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7494 -1.6452 -1.0019 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8842 -2.2105 0.8781 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0788 -0.7797 -1.2600 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4176 2.0463 0.3339 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.9057 -0.4710 0.1249 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4718 -0.6587 1.0729 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8368 0.1720 -0.1584 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9363 -1.9481 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6969 -0.9185 1.9509 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7175 1.0614 -0.6000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9684 2.5999 0.6542 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 1.3604 -0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5819 -1.9077 -0.8690 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3996 3.0386 0.1397 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9769 1.0090 0.4011 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5428 -0.2071 -0.3441 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.7225 -1.4564 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.1930 1.7018 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7299 0.7864 0.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2228 -2.8510 1.0180 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8514 -1.9298 0.3397 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0869 0.0223 2.3535 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -1.5627 2.7969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5021 -1.4067 1.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9030 2.4026 1.7317 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6663 3.4368 0.5291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5416 1.5175 -1.1219 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8957 0.5104 0.1775 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5887 -2.8060 -1.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7217 3.9395 0.6724 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 3.2842 -0.9264 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9736 0.8203 1.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6254 1.8780 0.2308 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 2.0827 1.1995 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5757 -0.0238 -1.4240 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4883 0.3490 -0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3157 -1.2246 -0.4258 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2203 -2.4506 -0.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 18 1 0 0 0 0 2 39 1 0 0 0 0 3 18 2 0 0 0 0 4 8 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 35 1 0 0 0 0 6 17 1 0 0 0 0 6 37 1 0 0 0 0 6 38 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 14 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 16 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 36 1 0 0 0 0 M END > 5460671 > 0.8 > 1 36 215 244 51 407 105 466 10 459 470 463 145 360 200 232 32 95 349 388 299 416 42 370 429 389 465 48 318 341 399 82 203 454 210 357 464 206 24 302 52 413 372 240 271 309 171 440 197 25 419 350 132 312 22 329 305 78 409 272 442 172 354 14 421 50 80 117 346 38 83 418 135 313 236 368 433 92 335 41 122 447 277 149 229 118 221 170 265 457 114 81 345 158 190 453 59 108 26 450 414 137 338 227 204 63 188 353 356 326 374 125 220 164 445 49 13 234 281 98 55 255 235 415 394 12 130 334 46 168 185 251 396 151 212 191 279 187 266 307 85 53 110 68 311 321 219 142 74 249 381 223 398 217 248 214 441 382 250 165 144 106 330 141 9 159 31 359 218 467 451 153 209 162 205 446 70 193 150 101 2 176 371 89 434 460 384 147 256 126 107 143 468 194 331 88 116 102 228 73 343 199 124 247 47 111 361 246 274 260 21 412 291 355 425 30 325 169 278 336 79 324 75 19 344 154 152 196 264 332 462 23 44 253 160 103 155 157 275 104 161 383 435 7 404 431 224 380 348 183 364 15 189 469 167 163 328 308 179 333 94 366 222 427 439 405 392 295 402 178 254 238 304 320 461 294 314 315 84 443 20 39 129 452 241 57 284 77 195 60 226 285 270 138 225 378 400 397 390 112 455 293 347 387 292 140 449 403 423 65 296 166 184 61 391 28 438 273 448 237 342 259 263 56 337 127 40 385 373 123 375 208 367 310 37 29 177 444 201 5 134 120 428 406 216 91 306 128 437 136 411 17 261 297 6 93 379 280 458 420 86 64 66 298 417 376 245 340 339 319 207 386 16 131 58 43 352 180 288 4 230 76 121 97 290 358 115 408 69 430 99 67 96 301 72 322 369 410 8 401 11 327 146 3 156 71 257 377 90 269 192 456 54 239 422 173 202 283 276 113 186 424 213 436 211 268 174 432 139 365 133 35 231 87 286 243 300 303 351 45 362 316 198 363 287 233 148 252 262 267 33 100 323 18 27 289 62 395 258 426 109 242 393 181 175 317 282 34 182 119 > 18 1 -0.57 11 0.57 14 0.33 15 0.3 17 0.33 18 0.66 2 -0.65 3 -0.57 30 0.06 35 0.37 37 0.36 38 0.36 39 0.5 4 -0.7 5 -0.73 6 -0.99 8 0.31 9 0.06 > 8.6 > 9 1 1 acceptor 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 donor 1 6 cation 1 6 donor 3 2 3 18 anion 5 4 7 8 9 14 rings > 18 > 3 > 0 > 0 > 0 > 0 > 1 > 2 > 005352BF00000001 > 18.2702 > 45.742 > 11578080 2 17750774619883113596 12400796 359 18268972298443352240 12506688 2 18412265051315501969 12553582 1 18411143502321196001 12633257 1 18408324384841381403 13931106 250 17682382664193754620 14081887 123 18128239122003080936 14178342 30 18122617254625824128 1420 336 18338522919653749881 14251705 54 18338804527816858979 16752209 62 18121500155117818997 19026451 147 17551480646688411255 20291156 8 18410017598045357621 20442098 301 18343300336204509212 20559304 39 18412267250253926341 20645477 70 18267865163222303797 21634736 98 18337124401335684996 23184049 29 18411980226180021281 232386 152 18409444765451257548 23419403 2 17828159399365463404 23557571 272 18271518694084375106 23559900 14 18127691522526649204 314173 41 18337116756119999817 5939293 188 18340766065076684996 81228 2 18268995280217416553 > 337.88 7.27 3.05 1.29 4.41 1.38 -0.08 -3.93 -1.15 0.57 -0.27 -1.29 -0.29 -0.27 > 670.993 > 200.2 > 2 5 10 $$$$