67244344 -OEChem-05072419223D 37 39 0 1 0 0 0 0 0999 V2000 1.2058 2.3101 0.6293 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8567 -2.9651 -0.0334 F 0 0 0 0 0 0 0 0 0 0 0 0 2.4437 -0.0150 -0.0384 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8186 -1.5936 -0.1031 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1825 0.4559 -0.7619 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3589 2.5867 0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7805 -0.3543 0.6809 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7557 0.6294 0.0958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4410 -1.3205 -0.7109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5050 -2.2345 -0.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1743 0.2703 0.7000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2897 0.7717 -0.1267 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7033 1.5075 -0.5984 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0420 1.4280 -1.2075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0321 0.5541 -0.4485 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9898 -0.8329 -0.5907 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9816 1.1409 0.3881 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8970 -1.6332 0.1039 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 0.3408 1.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8464 -1.0464 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -0.5937 1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0812 0.9857 -0.8907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7314 1.4965 0.7638 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6276 -1.1778 -1.7829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4658 -1.8117 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2249 -2.5174 0.9167 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5591 -3.1592 -0.6906 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5041 -2.2321 0.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5171 0.5209 -0.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9055 -0.4135 1.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1771 1.1906 1.2940 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9528 1.0376 -2.2303 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4689 2.4327 -1.3287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2561 -1.3022 -1.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0238 2.2201 0.5090 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6278 0.7974 1.7343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5526 -1.6696 1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 12 1 0 0 0 0 2 18 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 28 1 0 0 0 0 5 12 2 0 0 0 0 5 13 1 0 0 0 0 6 13 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 21 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 M END > 67244344 > 0.6 > 1 388 369 264 445 364 110 432 310 245 287 28 91 163 229 39 336 224 109 286 243 365 274 424 108 255 47 216 351 4 331 392 389 35 437 32 214 295 189 100 446 103 367 192 136 422 232 413 97 370 352 112 383 374 43 435 21 334 396 431 166 121 168 349 329 101 305 240 280 154 394 306 119 321 302 223 61 414 290 250 178 308 23 419 186 77 102 348 105 123 70 342 193 165 415 201 170 328 92 285 185 311 438 211 395 29 249 372 129 247 252 7 259 24 439 73 313 213 350 113 183 429 151 381 17 423 281 241 421 354 45 236 138 279 261 60 253 237 324 36 427 248 53 182 126 134 357 362 180 361 258 120 323 284 111 159 143 147 233 430 67 333 298 359 46 156 246 358 344 52 25 149 217 227 56 131 434 378 238 184 235 377 411 366 66 162 296 76 272 444 403 447 363 318 376 254 275 332 75 114 251 384 164 300 320 74 402 420 179 288 135 88 339 41 355 397 276 69 340 79 16 140 335 417 99 58 416 303 382 408 266 405 48 133 144 373 436 158 142 220 356 338 13 34 433 117 3 426 398 137 98 93 406 221 20 277 222 360 440 196 386 81 345 244 51 89 49 212 441 263 428 218 64 115 190 125 410 228 278 283 371 327 187 106 210 87 412 380 418 399 127 239 118 353 301 442 96 230 194 10 407 404 291 226 391 11 141 155 153 316 85 379 292 425 148 197 262 107 385 83 346 124 265 22 330 84 160 177 40 443 393 181 30 152 312 319 400 161 63 294 322 341 326 203 387 205 282 132 54 150 204 209 304 18 270 8 68 219 9 191 146 167 293 314 42 78 409 57 174 256 198 176 44 206 257 375 2 72 122 225 195 130 33 401 268 65 145 343 317 90 175 337 5 200 234 347 12 325 173 315 273 27 37 215 231 188 390 62 82 104 80 207 14 50 71 55 208 269 128 267 31 271 307 297 94 26 139 6 86 242 95 19 157 169 15 309 299 59 368 172 171 38 202 116 260 289 199 > 24 1 0.18 10 0.27 12 0.46 13 0.34 14 0.32 15 -0.14 16 -0.15 17 -0.15 18 0.19 19 -0.15 2 -0.19 20 -0.15 28 0.36 3 -0.82 34 0.15 35 0.15 36 0.15 37 0.15 4 -0.9 5 -0.57 6 -0.51 7 0.27 8 0.37 9 0.37 > 4.2 > 7 1 4 cation 1 4 donor 3 3 5 12 cation 3 5 6 13 cation 5 1 5 6 12 13 rings 6 15 16 17 18 19 20 rings 6 3 4 7 8 9 10 rings > 20 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 0402113800000001 > 36.9823 > 35.748 > 10670039 82 10447933866795583034 11370993 144 17917153775732447055 11552529 35 17845647178970662479 11796584 16 17895186671512532161 12596602 18 16917348168644912802 12633257 1 18201172013565179771 12670546 177 12540705824787117569 13103583 49 18131083631751477777 13402501 40 18409450284289547899 13533116 47 18198904906725694603 13544653 18 18410008823390320428 13740256 8 18409448115573422552 13911882 115 18202006512805266134 14123255 352 10807935963871829777 14251751 18 18186239519840583924 14252887 29 17775571910034486684 14341114 176 18271530810208384448 146900 427 18059569231134278016 14765038 42 18341909471175450098 14787075 74 18261110811816467736 14790565 3 17690281934027963884 15209289 33 18259989288301938947 15352361 1 18409729581970735143 15527383 91 18273214205328638633 15537594 2 17895195467785097787 15927050 60 17550948526738026012 16110190 28 18341899609951610919 16126227 98 17621311769089516808 17349148 13 16226049951307904440 17780758 139 18343865515610168705 1813 80 17676213467637377429 18785283 64 18266171928311902048 19141452 34 18410577275813798711 193927 3 17822021908030824745 200 152 14562812127506781068 20281475 54 18336549403782960869 20403669 9 18408325484289809487 20621476 91 18263063544303783722 20681677 274 18199468942973669225 21403212 168 18339369540351692985 21503847 285 14117220785839437570 21673915 165 18410011031051262338 22950370 63 18410579487231651052 23402539 116 15719388395916435500 23402655 69 7925642093764712657 23559900 14 18337098034094221700 26918003 58 18412539881893357580 2838139 119 9871751277937957770 351380 3 17749108889561966243 3737641 26 18270123392460034886 4325135 7 18041002856143770468 474 4 11671787074407760193 5104073 3 18127402364111675608 5924683 9 18060414764160762431 7097593 13 18199754820360338877 7495541 125 18335978749043475112 > 388.24 12.78 2.59 0.97 5.77 0.46 -0.01 5.62 -3.93 -0.69 0.02 -0.46 -0.14 0.61 > 808.859 > 223.5 > 2 5 10 $$$$