24953283 -OEChem-04252411053D 45 47 0 1 0 0 0 0 0999 V2000 5.6043 -0.7971 1.3515 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0522 3.7217 1.5618 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.3794 -4.9130 1.3907 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1594 1.6976 2.0313 S 0 0 0 0 0 0 0 0 0 0 0 0 1.7226 1.8458 -2.1126 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9995 -0.1447 2.1570 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2740 -1.5389 0.3828 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1881 1.7397 -0.3787 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9945 1.9644 -1.1929 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2024 1.2887 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4386 0.3153 -0.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5586 1.4347 0.0392 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3686 -0.7449 -1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1782 3.4762 -1.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4577 1.7005 -0.9222 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2181 -1.7180 -0.8656 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8295 0.2758 -1.3639 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7060 1.6699 0.6057 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 0.3343 1.0143 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8395 2.2666 1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9601 -0.3557 -0.8459 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8366 1.0382 1.1235 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4637 0.0254 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3165 -2.7484 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0614 -1.5808 -1.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2583 -3.6414 0.2372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0033 -2.4739 -1.4655 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1017 -3.5043 -0.5303 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6424 -0.6336 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7809 1.5462 -2.1855 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2990 -1.3250 -1.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3010 -0.2837 -2.0427 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0756 1.6228 0.6246 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2970 4.0028 -0.4392 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3085 3.9130 -1.8963 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0621 3.6847 -2.0057 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 -0.0331 -2.3344 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2291 2.4538 1.1880 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4337 -1.1428 -1.4268 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1944 1.3652 2.0958 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2191 -2.8573 0.6656 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9718 -0.7946 -2.3768 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8954 -2.3704 -2.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7307 -4.1932 -0.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7948 -0.5958 2.5124 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 20 1 0 0 0 0 3 26 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 15 2 0 0 0 0 6 29 1 0 0 0 0 6 45 1 0 0 0 0 7 29 2 0 0 0 0 8 9 1 0 0 0 0 8 15 1 0 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 2 0 0 0 0 12 15 1 0 0 0 0 12 20 2 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 16 24 2 0 0 0 0 16 25 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 2 0 0 0 0 18 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 29 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 27 2 0 0 0 0 25 42 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 43 1 0 0 0 0 28 44 1 0 0 0 0 M END > 24953283 > 0.8 > 1 108 284 150 2 380 324 345 355 262 278 151 158 107 113 142 208 41 385 271 304 349 251 311 88 297 224 363 295 231 296 177 193 91 389 279 200 332 196 60 274 343 218 82 272 397 70 233 330 246 391 118 72 154 336 114 161 289 187 275 316 132 351 80 283 39 136 400 235 294 176 337 152 53 47 366 395 229 162 98 247 270 135 207 37 339 212 300 308 119 370 71 92 328 383 374 147 26 146 195 335 110 353 267 191 201 3 171 291 19 256 399 392 372 329 24 166 365 293 137 377 249 245 261 230 303 225 153 87 57 214 36 16 44 188 260 140 312 327 321 367 86 305 182 290 350 73 109 301 248 315 85 310 145 69 276 199 172 309 168 331 106 112 25 51 134 180 179 368 264 185 220 269 387 334 346 266 190 299 326 120 222 68 281 242 206 307 221 127 178 282 215 174 67 159 56 90 12 197 314 5 236 160 292 333 369 21 219 323 213 165 352 277 359 241 259 398 322 33 83 125 234 250 386 128 390 287 55 131 216 46 358 244 364 105 394 325 217 356 340 64 63 354 8 148 254 265 371 243 95 319 362 184 357 257 104 66 183 226 181 210 89 347 238 263 43 31 20 27 202 376 361 302 341 255 388 313 96 373 381 149 240 11 198 100 360 189 14 164 285 111 211 103 54 59 167 123 81 186 173 252 203 286 288 401 129 65 320 40 170 62 93 143 258 223 130 61 38 348 163 76 4 77 239 84 227 192 9 99 306 58 97 7 122 342 32 237 382 116 117 48 45 102 205 298 155 35 15 156 379 138 30 139 280 318 74 228 204 115 10 232 144 344 28 79 141 268 6 34 75 378 175 169 375 393 22 133 157 13 124 121 194 396 126 17 78 49 273 94 384 42 317 23 18 101 29 52 50 209 338 253 > 38 1 -0.12 10 -0.14 11 -0.18 12 -0.09 13 0.32 15 0.72 16 -0.14 17 -0.15 18 -0.15 19 0.16 2 -0.12 20 0.16 21 -0.15 22 -0.15 23 0.09 24 -0.15 25 -0.15 26 0.18 27 -0.15 28 -0.15 29 0.63 3 -0.18 33 0.37 37 0.15 38 0.15 39 0.15 4 -0.08 40 0.15 41 0.15 42 0.15 43 0.15 44 0.15 45 0.5 5 -0.57 6 -0.65 7 -0.57 8 -0.73 9 0.44 > 7 > 8 1 5 acceptor 1 6 acceptor 1 7 acceptor 1 8 donor 3 6 7 29 anion 5 4 11 12 19 20 rings 6 10 17 18 21 22 23 rings 6 16 24 25 26 27 28 rings > 29 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 017CC1C300000001 > 66.7436 > 40.654 > 10076449 9 18200886063728997470 114674 6 18409173190174081035 11828532 37 16661787629572551627 12035758 1 18200295673033803970 12422481 6 18411978096123928667 12596602 18 17275112747459957619 12633257 1 18130495440143804392 12925494 130 18057047892111174225 13140716 1 18267578190297025190 13583140 156 18202278066312967053 14178342 30 18266178323059094604 14341114 328 17274820311083525337 14863182 85 18261966226956084724 14866123 147 18266150926280468858 15324884 4 17899658403169291388 15338160 23 17192611107097708472 16112460 7 18200311147368760160 17809404 112 17896307018343179127 19301679 30 18188226359824162457 1979834 28 18339092557272119145 20511986 3 17703495671939406173 20764821 26 18043834158557047747 20775530 9 17903082131288828463 21197605 99 18055075616979192951 22956985 138 18116430336967065202 23559900 14 18044095648786744749 3178227 256 18411140234183133632 3737641 26 18196381316427077510 392239 28 18272358802250776502 427121 178 18059575827808067580 4340502 62 17846782948506259193 465052 167 17822015340820386649 469060 322 17970045920237010887 5309563 4 18335989688150663173 563151 40 17829614204095417768 86090 222 18188507846994938571 > 583.68 10.97 5.18 1.92 12.96 3.91 0.13 0.28 7 -3.5 0.91 0.01 -0.44 1.17 > 1220.106 > 332.6 > 2 5 10 $$$$