92565 -OEChem-10101916313D 36 37 0 1 0 0 0 0 0999 V2000 -1.0701 -0.7593 -1.6633 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6573 -1.8738 0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 0.2769 -0.2276 N 0 0 2 0 0 0 0 0 0 0 0 0 2.0999 1.1427 0.2839 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2482 0.9720 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4495 0.4795 0.2088 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3145 0.0696 -0.7891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9698 -0.9609 0.5481 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 0.1995 -0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9002 -0.2764 1.2821 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2243 0.6336 -0.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5240 -0.9133 -0.2964 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1409 1.4271 0.1652 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1507 -0.8906 1.2128 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4747 0.0194 -1.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9379 -0.7427 0.0710 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8321 -0.7917 0.1725 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4488 1.5489 0.6340 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2944 0.4394 0.6377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9014 1.4556 1.3189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1373 2.0713 -0.3019 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5064 1.2431 0.8351 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2105 1.8798 -0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1243 -1.6022 0.2806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8888 -0.7708 1.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8369 -1.6018 0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3059 -0.3893 2.1843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8727 1.2232 -1.7741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 -1.8735 -0.6531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5094 2.3095 0.1554 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5129 -1.4812 2.0492 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0876 0.1342 -1.8909 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9119 -1.2202 0.0173 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8107 2.5083 0.9922 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3127 0.5408 1.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1746 -2.6401 -0.1786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 2 0 0 0 0 2 17 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 11 15 2 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 30 1 0 0 0 0 14 16 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 18 19 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 M END > 92565 > 0.6 > 8 407 86 320 317 192 352 348 232 217 404 386 154 83 196 216 219 188 5 271 112 396 69 213 89 200 19 308 265 56 93 258 113 369 77 376 88 70 133 251 80 242 264 165 16 234 137 30 377 168 387 398 100 290 272 122 250 132 71 365 73 405 336 268 65 231 364 274 172 318 15 406 50 157 263 64 339 328 55 337 121 190 44 194 114 255 208 329 40 35 120 350 23 249 94 136 155 335 22 330 370 291 9 233 33 326 207 323 206 199 312 141 1 81 111 195 203 319 131 37 147 159 346 156 184 321 379 7 20 367 285 148 363 394 116 85 254 125 223 32 164 382 372 98 316 140 43 282 72 368 202 160 149 126 403 349 362 54 210 322 277 139 327 2 353 280 402 311 181 246 334 347 128 275 193 176 117 58 143 183 281 27 400 293 138 180 178 185 177 101 401 14 276 354 292 270 343 383 26 51 351 381 162 13 53 99 283 393 360 235 153 95 295 107 366 150 212 305 34 344 375 385 284 21 345 189 361 289 197 241 294 224 10 201 84 331 57 145 392 102 244 108 304 204 371 45 243 123 300 248 59 342 179 286 82 273 46 374 384 218 267 215 247 397 313 222 378 228 229 142 74 198 245 266 214 389 269 41 36 63 257 39 161 260 169 205 163 390 175 127 182 373 306 296 191 62 399 18 236 104 297 38 115 307 79 124 135 17 186 6 388 237 380 134 42 301 187 109 230 302 256 66 333 96 340 358 146 24 259 92 110 4 91 341 395 332 31 225 130 152 278 106 87 287 103 338 25 60 47 211 226 303 48 12 97 171 118 29 391 151 314 221 220 3 52 227 105 11 279 144 240 262 325 129 78 315 119 166 359 28 288 173 90 355 49 238 324 61 261 174 68 76 167 309 239 356 170 209 310 75 67 253 252 299 357 298 158 > 29 1 -0.57 10 -0.15 11 -0.15 12 -0.15 13 -0.15 14 -0.15 15 -0.15 16 -0.15 17 0.08 18 -0.15 19 -0.15 2 -0.53 27 0.15 28 0.15 29 0.15 3 -0.81 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 36 0.45 4 0.41 5 0.33 6 -0.14 7 0.42 8 0.27 9 0.09 > 5 > 5 1 1 acceptor 1 2 donor 1 3 cation 6 6 10 11 14 15 16 rings 6 9 12 13 17 18 19 rings > 19 > 0 > 0 > 0 > 0 > 0 > 1 > 6 > 0001699500000008 > 59.1618 > 25.372 > 10087517 78 11815904439705780563 10299344 5 18186524293499948906 10366900 7 17240199949836588081 10912923 1 18114184129105281936 10968037 39 13118005500394140521 11089746 13 11239991261910291730 11315181 36 18408042927128883817 11401426 45 9943806685705552668 11405975 8 16486965241621224398 117890 112 10879995757112478146 12107183 9 17613992989369056865 12236239 1 18334580139755441948 12516196 113 14779551196879398973 12592029 89 18131074818262789062 12596602 18 18342737433659479928 12916748 109 17203612579483038312 13167823 11 18333447646894172610 13288520 33 18334013913316603309 13675066 3 17418088840956609268 13862211 1 18113050532827872674 14251758 9 17346598560585281764 14251764 18 18259702311915188050 14341114 176 18339645637011230521 14528608 73 9151164368618308394 15042514 8 17986952058697784327 15348495 7 16916778638785711234 15788980 27 16845569816284869956 17834072 33 18113620092382514936 17844677 252 18272937141167329080 1813 80 17967538947762720132 18222031 100 17022895791584738741 18927931 339 18272090526615915127 19141452 34 16845285064485424892 19433438 28 18060416932491258993 19489759 90 18060419106150749617 200 152 16081366349858700109 20645477 56 16773788208171110800 20645477 70 16588300537216252538 21033648 29 16558455397169560449 21267235 1 18409737291864130499 220451 1 18113623369447719752 22950370 63 18186802469926036348 2297311 6 18202010918803369133 23035841 295 17967253095913589019 23402539 116 16515683316933685877 23402655 69 9511465528314890921 23522609 53 17970657158323533580 23559900 14 18116429435519324241 23569914 152 14496037613863504635 26918003 58 15339113542591823462 2767999 5 11671780464094538498 2916195 48 15482664680585425963 3004659 81 18408610249759685988 351380 180 13686295773022265130 351380 3 18259700103674341386 3545911 37 18130509652359086537 4072396 5 11383835944392769252 4214541 1 18411982447126272345 465052 167 18335142007661934750 5104073 3 18272370918633289089 5385378 56 17273711874872222647 542803 24 18040719155862277624 5924683 9 16199570519949761695 7495541 125 18408885165783616152 > 374.29 15.4 1.39 1.1 2.75 0.07 0.09 3.1 -1.86 -1.4 -0.14 0.78 0.09 -0.95 > 795.803 > 208.8 > 2 5 10 $$$$