66879385 -OEChem-04262404303D 36 37 0 0 0 0 0 0 0999 V2000 1.6973 -2.6098 0.1417 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9626 -0.3100 0.6882 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8276 -0.2847 -0.3669 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1987 -2.5504 -0.6009 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9677 3.0654 -0.5723 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3681 -0.8407 -1.4362 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1935 0.0903 -0.6102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1330 1.1575 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1436 -0.3970 0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0692 -1.2567 -0.7772 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8604 -0.9015 0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 1.6176 -0.5769 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0034 1.4654 -0.7462 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0768 -1.0904 1.2651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9036 0.4908 1.0487 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3650 -1.8650 0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 2.3533 0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7135 1.8659 0.9128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9435 -1.7235 -1.7387 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1104 -0.3515 -2.3860 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7305 1.4544 1.5846 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1569 1.6444 0.8377 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1981 1.3264 -1.4458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7803 1.1430 -0.6882 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2659 1.8606 -1.4400 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7382 -1.6600 2.1372 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5020 -1.7713 0.5198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8915 -0.4383 1.5992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6484 0.1284 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7559 -2.3033 -0.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4401 -2.3729 0.7391 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 -2.0751 1.2380 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6151 3.4240 -0.0901 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3051 2.5574 1.5057 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3683 3.3620 -1.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0566 3.5172 -0.5047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 3 10 1 0 0 0 0 3 11 2 0 0 0 0 4 10 2 0 0 0 0 5 12 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0 13 17 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 18 1 0 0 0 0 15 29 1 0 0 0 0 16 30 1 0 0 0 0 16 31 1 0 0 0 0 16 32 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > 66879385 > 0.6 > 1 327 433 497 111 113 413 460 153 238 420 47 458 133 221 472 99 395 463 211 23 448 478 319 477 491 36 440 363 246 418 495 467 132 288 408 449 479 489 383 38 233 374 300 410 425 367 254 253 277 260 317 52 138 384 66 293 360 194 247 323 346 7 358 294 307 368 441 494 394 161 412 427 274 429 434 292 482 404 340 476 229 409 208 407 104 430 424 341 279 257 488 414 376 195 378 401 362 446 51 80 496 95 295 398 128 31 265 204 298 127 139 202 203 196 481 243 96 242 450 435 197 372 20 335 53 28 281 179 297 167 115 303 336 354 252 16 119 459 444 131 286 366 485 432 136 350 473 266 180 312 149 3 431 33 175 318 490 159 130 269 324 439 191 44 419 464 397 334 182 32 468 207 65 216 42 406 400 110 457 484 157 493 256 487 262 399 50 190 109 359 423 352 15 454 375 263 234 332 134 171 72 365 209 333 85 258 244 82 71 239 178 185 453 314 19 379 492 125 273 118 158 186 337 56 436 144 250 222 106 393 81 25 353 345 184 98 443 26 192 146 356 165 326 426 9 387 69 48 240 103 27 284 83 177 344 166 124 63 392 148 311 456 201 287 88 461 411 308 417 37 445 120 227 285 200 91 347 328 142 422 415 116 442 447 49 280 5 34 228 339 462 421 248 259 8 329 145 321 156 198 54 390 403 261 155 451 21 469 382 301 305 17 251 304 59 205 39 43 402 57 84 107 351 112 388 92 97 55 348 275 226 79 77 310 290 389 150 271 187 61 214 163 121 213 35 486 322 75 291 58 174 276 224 181 24 349 316 377 480 245 381 241 164 162 498 272 370 154 320 302 13 475 67 173 129 267 210 237 137 126 183 225 189 64 60 452 215 45 309 264 70 102 331 357 4 168 355 268 74 315 12 147 249 391 68 89 143 193 2 364 371 299 40 396 369 428 6 114 231 455 373 306 474 235 29 170 199 160 466 10 342 176 94 105 100 380 270 22 172 11 330 278 236 206 282 470 212 78 87 122 135 343 232 14 296 416 108 41 223 46 438 283 169 325 188 471 255 361 483 62 151 219 76 90 18 217 73 152 30 140 437 338 220 385 141 405 313 101 86 117 123 465 218 289 93 386 230 > 24 1 0.18 10 0.34 11 0.46 12 0.27 13 -0.15 14 0.37 15 -0.15 16 0.14 17 -0.15 18 -0.15 2 -0.82 25 0.15 29 0.15 3 -0.57 33 0.15 34 0.15 35 0.36 36 0.36 4 -0.51 5 -0.99 6 0.32 7 -0.14 8 0.37 9 -0.14 > 5 > 6 1 5 cation 1 5 donor 3 2 3 11 cation 3 3 4 10 cation 5 1 3 4 10 11 rings 6 7 9 13 15 17 18 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 03FC7F9900000001 > 38.4481 > 30.686 > 10366900 7 18410292531945288155 11615756 256 18341897372252563808 12173636 292 18198897205269052086 12251169 10 18263082128511371231 12403259 118 18338786840935721545 12633257 1 18187923911392919763 13583140 156 17459452386715505690 13897977 13 18410857681048506917 14026960 21 18409449184761517549 14289901 80 18408602552418980747 14787075 74 17754452675045139875 15342168 16 18272939280562020085 15475509 84 14303044401348368545 17834072 14 8069751741364308028 18186145 218 17632295640498342734 20681677 76 18191017903191612157 21503847 285 18338520746753758322 21524375 3 18201990040946348350 21756936 100 18198904893540125564 21864079 5 18413105087057998428 23559900 14 18194122915275356751 2637199 183 18337685195405551108 27216 239 18201430355673980515 38570 142 17751378372674439900 474 4 18338792329924888090 49207404 50 18336273383119206619 6287921 2 18334590035338759420 633830 44 18343304764584940566 6338986 31 9151185250648983838 7097593 13 17970900055734874578 7808743 9 18124316262390074608 9882013 296 18113619035783552361 > 354.36 8.47 3.13 1.14 2.3 0.64 0 4.21 2.65 1.47 -0.31 -0.07 -0.04 -0.93 > 723.077 > 208.2 > 2 5 10 $$$$