2237015 -OEChem-03292410443D 50 51 0 1 0 0 0 0 0999 V2000 1.4176 -1.1165 -1.0386 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9437 -2.3708 0.2373 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4089 -0.3048 -1.6943 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0941 -2.1582 -1.7893 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0919 1.7955 -0.3363 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4472 -0.1763 0.8133 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7556 -1.7760 0.4191 N 0 0 2 0 0 0 0 0 0 0 0 0 -3.8370 -0.1884 0.4252 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6584 0.7407 1.3230 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9850 0.1891 -1.0507 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1231 0.7850 0.8955 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4506 0.2357 -1.4753 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2682 1.1593 -0.5768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6110 -1.2769 0.6858 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2171 -0.9678 1.1692 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6634 -0.0154 -0.4284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6886 -2.5200 1.3125 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3491 1.3037 -0.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 -0.5097 -0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9392 0.3424 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3453 2.1557 0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6402 1.6751 0.5184 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3236 -0.1712 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8808 3.1698 -0.0192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2097 -1.2129 0.5559 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5908 0.4097 2.3666 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2413 1.7560 1.2925 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4461 -0.5287 -1.6811 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5220 1.1680 -1.2331 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5836 -0.1952 1.0699 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6662 1.5076 1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8728 -0.7761 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5225 0.5745 -2.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9391 2.1955 -0.7235 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3242 1.1155 -0.8662 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0603 0.7015 1.1479 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0081 0.0962 1.0951 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1914 -1.2127 2.2379 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2500 -1.8320 1.9505 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1149 -3.2049 1.9453 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3815 -3.1294 0.7261 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1863 -1.5463 -0.4569 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1895 3.2014 0.5662 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4086 2.3485 0.8891 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8483 0.4024 1.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -0.1054 -0.4876 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3090 -1.2150 0.7761 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4712 3.8292 -0.6644 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1729 3.3874 -0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0440 3.3687 1.0454 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 16 1 0 0 0 0 2 14 2 0 0 0 0 5 18 1 0 0 0 0 5 24 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 36 1 0 0 0 0 7 15 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 9 11 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 21 1 0 0 0 0 19 20 2 0 0 0 0 19 42 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 48 1 0 0 0 0 24 49 1 0 0 0 0 24 50 1 0 0 0 0 M END > 2237015 > 0.8 > 275 19 339 371 302 160 20 314 380 86 338 317 71 217 219 336 249 29 335 26 301 306 222 387 197 352 192 353 164 326 126 253 171 277 407 245 390 262 367 90 228 290 284 147 133 257 399 236 95 178 297 248 376 280 186 70 127 22 389 35 408 395 361 289 384 313 207 142 351 210 298 315 43 229 122 141 358 173 241 343 345 354 362 401 206 137 46 75 296 393 131 224 246 322 292 94 157 104 382 268 62 263 170 167 325 119 321 214 138 334 234 360 162 107 337 158 108 267 333 364 174 327 101 221 66 330 89 159 98 279 374 316 386 255 28 39 251 145 357 209 264 40 134 220 87 288 294 25 320 88 120 105 83 233 156 67 211 111 38 60 366 149 293 369 404 123 143 309 163 80 92 282 273 208 368 312 155 227 17 165 391 195 64 230 48 45 56 272 232 187 304 117 189 406 175 285 47 243 97 295 109 350 323 139 247 375 274 239 135 340 276 190 176 74 310 193 213 265 254 379 324 286 27 270 41 394 181 15 226 203 398 50 199 370 3 36 356 96 218 409 52 348 118 183 238 388 269 4 180 150 18 185 319 252 402 215 355 372 7 13 63 44 359 381 308 266 124 196 113 341 8 151 342 42 10 223 177 344 79 121 166 405 225 130 258 73 140 311 34 291 287 81 212 65 392 231 2 1 84 271 318 205 202 72 76 102 6 332 188 244 373 216 299 61 125 346 172 410 11 204 103 385 58 59 329 129 278 16 377 21 300 12 49 307 365 110 14 331 283 115 132 303 146 37 396 378 154 281 200 77 153 116 9 161 24 363 198 100 328 85 256 347 194 78 112 144 182 168 51 259 179 30 148 383 91 237 261 31 55 69 397 136 32 23 305 33 82 260 250 114 400 240 169 93 242 235 191 57 99 54 128 349 152 403 53 68 5 106 201 184 > 23 1 1.45 14 0.57 15 0.42 16 -0.01 17 0.36 18 0.08 19 -0.15 2 -0.57 20 -0.14 21 -0.15 22 -0.15 23 0.14 24 0.28 3 -0.65 36 0.37 4 -0.65 42 0.15 43 0.15 44 0.15 5 -0.36 6 -0.73 7 -0.85 8 0.3 > 8.2 > 7 1 2 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 1 6 donor 6 16 18 19 20 21 22 rings 6 8 9 10 11 12 13 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 0022225700000113 > 46.4736 > 35.553 > 10906281 52 18339943574687426244 11089746 13 18412539920563588682 11315621 136 10591169441601343937 11646440 116 18412272735296942105 11961588 58 17274530018480732267 12011746 2 18411708690574785020 12236239 1 17132112433376549117 12633257 1 18261672665957311424 12778500 126 12035720973784433023 13103583 49 13479130177499905415 13402501 40 18261107470073942461 13583140 156 18040721389794229707 14251764 30 12252445727667667072 14251764 38 18122626316980548509 14681490 219 18342171138401905089 14790565 3 17326902180512885780 15081414 286 18338246997927802180 15238133 3 18187092766823439708 17492 54 13038619734635391442 20511986 3 17560790010066886313 20567600 254 17603856802785252687 20715895 44 18343025475709796545 21033648 144 18267293408264562189 21033648 29 17604137178044757061 21033650 10 15983451540759627129 21279426 13 18044933476768195188 21298829 104 18271811177432355353 21315763 76 18412825785556396065 21475661 188 18336826506440700968 23402539 116 18272369784708908289 23559900 14 18201447939012413382 2838139 119 18343579650944967457 329604 57 10880002362819587248 335352 9 18409168818656580694 351380 180 18411981385841965328 4072396 5 18409721851451478850 4325135 7 18342173406529291655 474 4 18412547639010183817 5207 217 12823291325864528810 5385378 56 17896037659432508115 57724786 102 17532097261891889652 59755656 215 18410014291368867910 6328613 192 18262245538087371364 8509985 295 17894909633342604960 > 464.32 14.09 2.58 1.36 11.84 0.35 0.29 5.29 -0.62 -1.83 -0.29 0.88 -0.45 0.4 > 938.712 > 271.7 > 2 5 10 $$$$