66879762 -OEChem-05072416493D 33 34 0 1 0 0 0 0 0999 V2000 1.1559 -2.6647 -0.7357 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7346 -0.4964 -1.0899 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 2.4915 0.4771 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7088 -0.3540 0.2031 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2430 -2.5166 0.1709 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8752 1.0927 0.3813 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1455 0.8817 -0.9494 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1080 0.1984 0.5129 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4138 -0.7738 1.3906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4730 0.0130 0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5811 -1.0153 -0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2888 -1.2438 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2592 1.3573 0.3257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6572 -0.6110 0.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2296 2.0779 -0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6275 0.1093 -0.4589 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4137 1.4538 -0.7632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1974 0.8764 1.2157 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2780 1.5491 -1.0308 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8089 1.1310 -1.7871 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3456 -1.1072 -1.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8084 0.3554 -0.3152 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6419 0.4026 1.4481 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8318 -0.8610 0.5261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8928 -1.6188 1.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0289 -0.1386 2.1999 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7399 2.6559 1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4788 3.0989 0.4445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3414 1.8552 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8352 -1.6583 0.4667 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0631 3.1247 -0.6077 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5494 -0.3766 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1692 2.0145 -1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 11 1 0 0 0 0 2 7 1 0 0 0 0 2 11 1 0 0 0 0 2 21 1 0 0 0 0 3 6 1 0 0 0 0 3 27 1 0 0 0 0 3 28 1 0 0 0 0 4 11 2 0 0 0 0 4 12 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 18 1 0 0 0 0 7 19 1 0 0 0 0 7 20 1 0 0 0 0 8 22 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 14 16 2 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 M END > 66879762 > 0.6 > 1 236 386 6 249 388 348 177 350 74 345 395 223 355 78 90 173 57 373 371 235 175 377 220 192 273 139 183 349 214 316 206 367 341 410 212 188 330 334 405 266 164 34 95 99 72 129 67 296 363 339 25 312 29 190 398 364 394 194 143 382 301 170 230 263 344 305 308 160 400 328 102 248 98 275 146 202 335 229 79 168 337 148 313 256 383 318 378 3 232 409 119 365 92 359 329 399 255 354 233 179 50 234 81 207 356 62 311 186 286 182 290 124 361 277 269 283 357 358 136 135 325 319 276 362 375 239 238 97 115 376 123 203 77 291 267 191 189 282 63 252 141 321 112 116 260 195 320 346 408 333 360 130 251 292 86 110 198 215 35 385 297 281 315 44 396 331 161 82 22 392 295 54 246 306 10 412 259 387 317 137 393 43 48 369 138 340 245 39 401 384 46 210 111 225 247 265 49 45 253 176 154 204 347 150 169 327 402 178 84 272 128 307 59 342 193 217 58 322 237 274 106 89 389 231 108 91 55 300 241 224 73 19 411 406 80 407 284 30 379 299 47 145 326 26 31 149 159 289 38 87 163 140 18 21 103 100 213 88 264 14 302 131 374 221 187 219 117 11 105 294 397 27 370 64 218 257 76 271 104 250 185 323 93 122 180 60 368 23 380 157 113 254 120 336 9 293 17 216 42 32 147 403 132 171 278 85 381 209 314 280 51 261 166 127 4 338 33 156 162 404 8 71 288 200 83 391 2 366 12 279 155 351 125 56 390 244 70 208 151 174 372 332 68 324 52 211 152 201 15 61 13 268 226 37 352 65 285 40 196 96 298 16 353 172 343 158 309 287 262 222 304 134 24 227 303 94 153 7 75 36 109 165 142 184 199 5 144 181 310 107 240 133 118 270 114 121 242 197 69 126 258 28 101 41 243 167 53 228 66 20 205 > 24 1 0.18 10 -0.14 11 0.46 12 0.34 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 -0.15 2 -0.85 21 0.4 27 0.36 28 0.36 29 0.15 3 -0.99 30 0.15 31 0.15 32 0.15 33 0.15 4 -0.57 5 -0.51 6 0.27 7 0.37 9 0.32 > 5 > 7 1 2 donor 1 3 cation 1 3 donor 3 2 4 11 cation 3 4 5 12 cation 5 1 4 5 11 12 rings 6 10 13 14 15 16 17 rings > 17 > 0 > 1 > 0 > 0 > 0 > 1 > 3 > 03FC811200000001 > 24.4808 > 35.752 > 10498660 4 18336827503068493885 10871710 139 16679796766067139348 11128504 68 14979954800507903688 11132069 177 18041002817156742357 11370993 70 18410855473160951724 11543360 7 16845292726427401741 11615756 56 18410581707740487512 11715629 250 18188493454627412399 11725454 13 18260539039462195906 11759241 127 18409727365930855439 12006461 19 10087628304551221861 12077114 3 18261960746862482482 12119455 92 18335134297926541622 12403259 415 18339093652209204656 12403260 363 18341891866499960376 12596602 18 15502668134290034944 12633257 1 15864070992126819420 12670546 177 17703787050419422903 12788726 201 16810415307294091050 12892183 10 11891633333296549615 13103583 49 11747214607039162149 13402501 40 18411132563135010280 13544592 271 18260838098388470153 13583140 156 18041566935436162202 13740256 8 9727626220153700164 14123255 352 18408885161515009492 14123255 52 18411979169707373566 14178000 22 18411133679826182374 14251732 17 18261387811305276744 14251764 30 12535346856700814421 14251764 38 18410576163022383728 14957384 54 18336255860354304416 15061688 2 18409728473789947522 18186145 218 18200613409586080878 18915474 69 11600005466288862800 19782 4 18335138700046298460 20281475 54 10159697984316072706 21524375 3 18408606963366237122 22096605 113 18340773641399189999 22749437 52 18334868215875535452 22950370 63 9151176480204432920 23227448 37 18199185272672259525 23402539 116 18410004472493432471 23557571 272 17896346703957473491 23559900 14 18267863870031440034 328317 168 18342455971340726180 341906 21 17968100862613269604 351380 180 18410008836549561096 4028521 119 18412547608755560653 43658 37 18411699868042026463 4371632 12 14114120356285578880 474 4 18040444260896706061 5104073 3 18116441345489672777 526903 126 18335144138071280057 58051976 378 18343582919430676719 6328613 192 18114191869575502508 633830 44 17488207952955489530 67856867 119 18263635178539113539 84936 182 18268431230789011330 9981440 41 18186801374804510651 > 333.78 10.04 2.57 1.04 2.65 0.49 -0.02 -6.62 0.59 1 0.25 0.06 0.1 1.03 > 679.484 > 195.6 > 2 5 10 $$$$