22894816 -OEChem-10101914583D 43 44 0 0 0 0 0 0 0999 V2000 -2.4118 2.3958 0.4000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.5943 -0.6127 -1.1574 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.1373 -0.3810 1.1212 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1537 1.7911 0.0744 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2638 0.5129 -1.8467 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1747 -0.5621 -0.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3106 -0.5327 0.3256 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5313 -0.4210 1.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2634 -1.8734 -0.4115 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8367 -0.7558 0.5229 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5765 -2.1996 -1.1198 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7662 -2.1136 -0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2418 0.6261 -0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0507 -0.4149 0.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1848 -0.2402 1.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0813 2.9821 -0.7156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5419 -0.3011 0.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9884 4.1799 0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1592 0.8442 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1588 -1.5414 0.6682 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4159 0.7479 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4153 -1.6375 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0438 -0.4929 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4039 -1.1084 2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6083 0.5753 1.6935 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4825 -1.9448 -1.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0377 -2.6698 0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0604 0.0216 -0.2177 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6624 -0.7538 1.2435 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5210 -3.2123 -1.5366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7378 -1.5251 -1.9678 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6868 -2.9043 0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 -2.2941 -0.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1090 -1.0458 2.1650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0449 0.6943 1.9755 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1948 2.9397 -1.3582 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9792 3.0621 -1.3384 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 5.1100 -0.3667 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 4.1041 0.8469 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8589 4.2246 0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6794 -2.4414 1.0431 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 1.6396 -0.6960 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8925 -2.6111 -0.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 23 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 4 13 1 0 0 0 0 4 16 1 0 0 0 0 5 13 2 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 24 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 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 15 17 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 2 0 0 0 0 17 20 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 23 2 0 0 0 0 21 42 1 0 0 0 0 22 23 1 0 0 0 0 22 43 1 0 0 0 0 M END > 22894816 > 0.8 > 1 50 294 392 232 446 384 90 76 282 136 353 378 150 239 270 221 414 167 121 421 231 380 120 351 226 116 335 109 360 309 242 400 418 198 377 237 98 374 262 395 122 344 165 426 61 43 157 220 362 393 184 383 89 260 18 322 95 63 119 219 126 13 252 430 155 203 278 28 339 244 229 53 424 14 210 315 313 112 249 281 238 192 319 250 183 223 284 179 60 140 435 388 169 259 366 114 248 218 272 69 422 292 397 177 382 358 375 12 176 73 301 417 24 359 338 45 204 286 142 189 327 300 118 372 257 102 111 236 314 8 442 387 302 401 68 135 21 173 175 431 389 10 144 191 361 295 55 75 202 159 19 37 72 83 287 288 172 405 36 343 154 34 127 412 113 261 285 11 84 385 123 46 350 299 168 214 441 181 381 304 245 171 82 333 225 17 87 326 105 416 117 337 162 35 100 234 329 373 107 410 398 425 308 99 316 280 265 394 266 271 110 133 108 93 147 298 415 273 438 290 444 146 216 92 427 16 6 31 297 200 158 194 230 88 49 215 409 318 106 434 342 196 103 206 64 323 97 208 104 267 132 190 79 345 274 23 188 437 187 396 180 354 70 174 152 213 124 209 47 161 240 340 408 67 80 57 224 386 356 311 94 277 228 433 365 32 256 390 371 355 420 145 65 370 346 264 352 66 406 212 205 134 160 20 429 367 347 201 404 153 197 321 436 170 62 222 199 74 151 29 445 289 2 164 368 129 419 178 166 341 85 71 54 51 399 207 9 268 336 141 128 186 77 328 163 131 423 227 91 334 22 156 317 246 38 101 211 443 432 263 5 413 325 243 7 296 293 324 255 447 348 26 407 291 139 42 27 233 58 143 330 4 439 402 332 403 149 217 137 193 258 86 312 376 307 254 115 379 125 363 269 357 320 138 41 33 310 364 303 440 349 81 25 305 283 195 391 182 448 39 44 241 48 306 185 130 428 275 247 59 78 30 96 3 235 411 40 52 369 148 276 251 15 331 279 56 253 > 20 1 -0.18 13 0.66 14 0.66 15 0.2 16 0.28 17 -0.14 19 0.18 2 -0.18 20 -0.15 21 -0.15 22 -0.15 23 0.18 3 -0.43 4 -0.43 41 0.15 42 0.15 43 0.15 5 -0.57 6 -0.57 7 0.34 > 8.2 > 4 1 5 acceptor 1 6 acceptor 6 17 19 20 21 22 23 rings 6 7 8 9 10 11 12 rings > 23 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 015D58E000000001 > 45.7752 > 20.3 > 10366900 7 17531249422414900923 11405975 8 18261397771371567683 12166972 35 18202281398579094552 12403260 363 18412825776786781921 12616971 3 18342747329859942569 12633257 1 18338246959652950249 12916754 54 18410863183117839187 13134695 92 18335702732890693180 13224815 77 16917355818276896899 14863182 85 16271935891460366846 15788980 27 17917990547094421011 17349148 13 18202003196489061875 17492 89 18337396049264354427 18186145 218 17458063781150174923 18222031 100 18410295775094119330 18681886 176 18412536626487619146 192875 21 18411700976217565361 19862831 5 17748830709115406171 200 152 17632291251258063619 21033648 29 17631151023007765890 21304303 282 16906353276354408956 221357 26 18333727992669212797 23402539 116 18340199696898982277 23522609 53 17701562799554824017 23557571 272 17846498084853242761 23559900 14 18409443717621707947 29717793 49 18412259532825657343 3004659 81 18333444348881755907 312423 11 18338815475820320017 3286 77 18334013903977823100 3411729 13 18042118938019586000 345986 75 17025970971589907378 351380 180 18409164411656131491 46194498 28 18408601478771777525 5104073 3 18260834855994013593 5281201 14 18408608067336089631 67856867 119 18339637970410126593 7364860 26 18338242673428309728 7471813 234 18343017791791939440 9709674 26 18335988665758977923 9971528 1 18410855430601526042 9981440 41 17688026835515488944 > 453.59 11.9 3.19 1.21 11.38 3.95 0.1 -5.71 2.44 -3.14 0.38 -0.21 -0.14 -0.05 > 931.996 > 261.6 > 2 5 10 $$$$