18666812 -OEChem-09032120433D 40 40 0 1 0 0 0 0 0999 V2000 5.7396 -1.2215 -0.4821 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5758 2.2408 -0.8565 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6678 0.0236 1.9218 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8932 2.5019 0.6584 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9416 -0.0692 0.3213 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7328 -2.4834 -0.3859 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6194 -0.7670 -2.0294 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1351 -1.4857 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9749 -2.2078 0.0235 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3414 2.2286 -1.0006 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6630 -0.2515 0.3650 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5542 0.9592 -0.3202 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.6752 0.0112 -0.4905 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3443 -2.5647 0.6331 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6117 1.7187 0.4710 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6413 0.5262 0.5853 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0666 1.3469 0.8149 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8027 0.9045 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6106 0.2365 -0.0829 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9915 -0.2299 0.0982 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7689 -1.3292 0.2300 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2321 -1.2337 -0.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8873 1.1454 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2913 2.5242 1.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9429 -0.2813 -0.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1416 1.0451 1.8660 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1426 1.6885 0.9229 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8405 1.2904 -0.7904 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0145 -0.6739 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 0.5638 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -1.1450 0.6030 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1973 2.9879 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 -0.7793 1.9542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8050 2.2381 0.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9492 1.7682 -0.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6633 0.1038 -0.7085 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0085 -3.3259 0.7007 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3744 -2.7242 0.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -3.3543 -0.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0873 -1.2895 -2.7152 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 15 1 0 0 0 0 2 32 1 0 0 0 0 3 16 1 0 0 0 0 3 33 1 0 0 0 0 4 17 1 0 0 0 0 4 34 1 0 0 0 0 5 19 1 0 0 0 0 6 39 1 0 0 0 0 7 40 1 0 0 0 0 9 22 2 0 0 0 0 10 23 2 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 11 31 1 0 0 0 0 12 20 1 0 0 0 0 12 23 1 0 0 0 0 12 35 1 0 0 0 0 13 22 1 0 0 0 0 13 23 1 0 0 0 0 13 36 1 0 0 0 0 14 21 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 24 1 0 0 0 0 16 18 1 0 0 0 0 16 25 1 0 0 0 0 17 19 1 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 M END > 18666812 > 1 > 1 437 227 223 325 128 64 63 500 412 304 519 231 93 158 229 85 431 15 187 37 371 253 173 413 292 38 252 8 61 447 120 182 523 135 513 414 468 77 426 27 54 160 520 455 390 206 13 103 141 502 221 496 52 34 20 156 28 287 75 91 245 420 383 97 454 59 88 5 422 122 94 233 303 282 435 320 51 12 124 3 508 115 340 461 255 181 375 428 21 285 25 416 7 239 214 368 248 517 41 470 240 444 174 473 165 466 398 200 69 10 211 125 424 17 349 138 62 443 286 76 399 263 153 321 6 341 177 270 47 100 324 172 212 159 250 493 202 133 9 306 110 4 512 178 415 195 32 249 489 208 291 79 256 50 318 219 351 451 464 288 80 259 243 215 241 65 411 137 121 393 516 82 71 486 99 196 439 117 429 336 39 388 433 266 18 2 57 401 134 417 438 140 289 150 264 345 314 108 67 480 107 355 311 329 130 92 > 33 1 1.51 10 -0.57 11 -0.87 12 -0.54 13 -0.49 14 -0.9 15 0.28 16 0.28 17 0.28 18 0.37 19 0.28 2 -0.68 20 0.21 21 0.11 22 0.62 23 0.69 3 -0.68 31 0.4 32 0.4 33 0.4 34 0.4 35 0.37 36 0.37 37 0.4 38 0.4 39 0.5 4 -0.68 40 0.5 5 -0.55 6 -0.77 7 -0.77 8 -0.7 9 -0.57 > 8 > 19 1 10 acceptor 1 11 cation 1 11 donor 1 12 donor 1 13 donor 1 14 cation 1 14 donor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 4 donor 1 6 acceptor 1 7 acceptor 1 8 acceptor 1 9 acceptor 4 1 6 7 8 anion 6 12 13 20 21 22 23 rings > 23 > 3 > 0 > 0 > 0 > 0 > 1 > 19 > 011CD53C00000001 > 22.0018 > 96.569 > 10366900 7 16226040115896483297 10670039 82 17023180500729793877 11796584 16 18413387622970700426 11858739 19 18202844348801618672 12596602 18 12175620655443236142 12616971 3 15195286473474951417 13073987 5 17988928915647012913 13533116 47 17989208196016390584 13685833 64 18343022198860603106 13955234 65 17916860369901507168 14251751 18 18413673517178608534 14251752 14 18040715819057635196 15183329 4 18335417928749799729 15510800 12 17773887411309046558 15788980 27 17988639726856082613 17834072 8 18409445860515093108 17844677 252 18336549403809574753 193927 3 17917160437680267390 19784866 240 18202291290421500936 20567600 247 18272647961024667726 20645477 70 18343585166109938144 21267235 1 18187367662458748963 21279426 13 18411132520116154853 21315764 119 18115591439638010214 21641784 216 15285631058716313932 22061861 79 18202283614829685309 2215653 11 18341045246419514559 22393880 68 18334006194532541395 2297311 6 18333450971990091785 23559900 14 18412537743068365753 25122255 55 18202291307121556086 2838139 119 11747226800862979506 3004659 81 18260547819082016152 4214541 1 18335133220375202849 44062 13 18410293652995244135 465052 167 18060704983658726062 5207 123 18412546483838210388 531348 171 18202558472058202719 559249 180 18410571765080834895 59682541 35 17988912368240399122 59755656 215 18336542716260125679 633830 44 17458341991545630144 90127 26 18041281053659949441 960060 61 17967821544116037550 > 404.43 17.63 2.58 1.07 5.64 0.21 0.08 8.4 4.74 0.05 0.1 0.8 -0.09 2 > 806.542 > 238.6 > 2 5 10 $$$$