2998213 -OEChem-04192419093D 49 51 0 0 0 0 0 0 0999 V2000 2.9930 0.0688 0.0265 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7974 -1.3724 -0.2798 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4003 -0.6373 -0.4097 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1429 2.0194 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0118 0.4434 0.0616 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7539 -1.7629 0.0867 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9274 -0.3946 -0.0971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5470 1.7188 0.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7780 0.3503 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 1.6874 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3407 0.0687 -0.0137 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0905 -1.8403 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5575 -0.1660 -0.0475 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4586 2.8632 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0085 0.1081 -1.2377 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0135 -0.3492 1.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7679 0.7676 0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0215 -0.6883 -0.1654 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3489 -0.2704 -1.3136 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3538 -0.7278 1.0587 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4545 -1.0933 -0.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3388 -0.0191 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1414 0.8119 0.1744 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5314 0.4056 -0.4304 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5083 -1.3581 0.3504 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0593 1.6818 -0.9318 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 -2.3153 0.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5258 2.5405 0.4702 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1295 -2.1721 -0.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6134 -2.0984 -1.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6170 -2.4323 0.4163 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0949 3.0336 -0.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8923 3.7836 0.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0977 2.6963 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4970 0.4311 -2.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5060 -0.3857 2.0956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6966 1.2218 1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7184 1.5396 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8576 -0.2372 -2.2733 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8665 -1.0534 1.9599 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5308 -2.1658 -0.4510 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9756 -0.5466 -1.0397 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9799 -0.8763 0.6900 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0301 1.5497 -1.4201 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3754 2.1240 -1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1882 2.3917 -0.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9939 -1.8829 1.7484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 -3.2303 1.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8025 -2.6013 0.1348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 13 2 0 0 0 0 3 6 1 0 0 0 0 3 24 1 0 0 0 0 4 23 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 6 25 2 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 10 28 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 19 1 0 0 0 0 15 35 1 0 0 0 0 16 20 2 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 M END > 2998213 > 0.8 > 1 333 208 167 158 189 135 225 126 235 241 369 347 338 42 57 322 226 395 199 232 392 151 33 70 245 76 251 86 364 417 411 278 376 77 31 244 114 17 255 383 211 385 254 291 389 218 85 373 368 23 61 332 6 234 310 236 91 399 387 108 48 206 264 65 121 63 127 194 396 149 150 64 340 382 359 122 54 67 349 103 350 2 74 203 362 403 7 118 78 393 331 298 104 297 50 43 14 367 313 28 253 163 380 90 196 262 240 323 37 289 238 49 136 109 117 168 233 177 409 356 34 415 283 100 326 148 366 178 154 3 137 252 174 260 161 375 142 131 320 36 173 346 123 334 284 337 319 125 314 345 354 41 188 381 282 365 105 72 388 358 404 58 179 140 413 246 300 371 185 299 304 397 237 197 139 132 116 39 68 51 372 223 384 416 202 93 266 59 32 263 316 141 222 155 101 400 159 56 379 259 19 212 280 22 335 357 20 201 94 330 99 144 269 60 248 102 353 69 213 414 71 217 250 227 412 294 272 328 229 405 242 327 120 112 165 195 398 224 408 5 130 40 13 164 311 361 162 220 145 107 176 169 215 186 410 321 15 303 374 66 143 221 92 134 198 351 230 302 175 309 52 270 119 279 4 315 301 25 45 324 180 29 12 98 62 183 115 406 307 296 342 97 88 370 274 265 138 341 26 308 110 160 81 207 190 96 21 147 171 306 80 243 292 325 35 172 75 286 8 205 111 390 133 53 181 128 228 214 281 16 348 38 378 216 418 344 55 11 290 377 24 273 146 360 191 394 339 312 27 343 156 152 352 317 44 113 256 106 47 219 153 170 200 46 231 275 10 355 193 83 157 87 363 82 285 295 386 391 258 184 124 257 95 402 73 261 129 84 305 407 187 276 271 210 182 287 268 89 277 166 293 247 30 18 288 9 209 249 267 318 204 401 79 336 329 239 192 > 32 1 -0.43 10 -0.15 11 -0.02 12 0.18 13 0.6 14 0.18 15 -0.15 16 -0.15 17 0.34 18 -0.14 19 -0.15 2 -0.57 20 -0.15 21 0.14 22 -0.09 23 0.81 24 -0.04 25 0.11 26 0.18 27 0.18 28 0.15 3 -0.02 35 0.15 36 0.15 39 0.15 4 -0.57 40 0.15 5 0.33 6 -0.41 7 -0.33 8 -0.33 9 -0.09 > 6 > 7 1 2 acceptor 1 4 acceptor 1 5 cation 1 6 acceptor 5 3 6 22 24 25 rings 5 5 7 8 9 10 rings 6 11 15 16 18 19 20 rings > 27 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 002DBFC500000001 > 70.1634 > 35.522 > 10050765 1 18124598574832173231 10299344 5 18131071541075706155 10595046 47 18409168771280389944 11101153 10 18335706052289360301 11315181 36 17894635868460022217 11524674 6 15697997461817476047 12166972 35 18412265047279458816 12236239 1 18260548900865440752 12616971 3 13254785854812027560 13073987 5 18339359669994457576 13533116 47 18409726245055511474 13862211 1 18343018909031588365 13914758 101 16805599236047749085 14118638 360 18409451363011855560 14251764 18 18130791169789435594 14856354 85 15841551903685491565 15183329 4 18272368676581115046 15419008 47 17458056084511278893 15461852 350 13623537866013173929 1577012 14 18336270050673354336 15849732 13 17603304873100949343 2026 5 17273710750271729070 21150785 3 17022903453880085286 21236236 1 18342176623138133977 21267235 1 18413673504145889824 21315759 40 17704075109702330315 21792961 116 18335132065466577557 22224240 67 14117516550209252397 23035841 295 17704070716219798983 23081809 10 18411422778332764368 23522609 53 17986138333397767016 23559900 14 18338230586931565528 335352 9 18341894134495848445 3633792 109 17603583011225388557 397830 11 13829265342975817271 4073 2 17968101979737472098 4325135 7 17917712400801403783 5104073 3 18341610356805108240 5969126 39 18342170060692057621 59755656 215 18261110751413034682 9996256 80 18272090478469058105 > 522.21 23.85 2.12 0.94 7.13 0.55 -0.06 -6.08 -2.92 1.33 0.36 -0.86 -0.03 -1.02 > 1128.254 > 291.9 > 2 5 10 $$$$