2347892 -OEChem-04262402003D 41 45 0 0 0 0 0 0 0999 V2000 2.4925 1.0820 -0.0837 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8311 -0.3418 0.1867 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2095 1.4133 -0.0859 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5560 -0.8777 0.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0477 1.7293 -0.0043 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6983 1.8810 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7023 -0.2576 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 0.7696 -0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1105 -0.5005 0.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4657 -0.4672 0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6701 0.1854 0.0283 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7497 -0.0286 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9999 0.8392 0.0489 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1296 0.9881 0.0810 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6148 1.0708 0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7822 -1.4249 0.2965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6237 -1.5773 0.2443 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1125 0.8738 -0.1382 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -1.3284 0.1947 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8331 -1.6700 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8573 -0.3070 -0.0532 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2258 -1.5622 0.0657 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5217 1.4827 0.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1896 -1.9721 -1.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7417 2.5519 0.6850 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7054 2.3978 -1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2571 2.0915 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3319 -2.2155 0.9065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6588 -1.0681 0.8464 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0056 -2.5878 0.3345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6051 1.8351 -0.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5813 -2.1865 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -2.6371 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9432 -0.2586 -0.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8353 -2.4601 0.1297 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5380 2.5655 -0.0950 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1030 1.0211 -0.7356 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0169 1.2856 1.0235 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6540 -1.1995 -1.6818 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9083 -2.7884 -0.9395 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3231 -2.3605 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 2 10 1 0 0 0 0 2 14 1 0 0 0 0 2 16 1 0 0 0 0 3 11 2 0 0 0 0 4 7 2 0 0 0 0 4 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 2 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 8 18 2 0 0 0 0 9 20 2 0 0 0 0 10 13 2 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 15 1 0 0 0 0 14 23 1 0 0 0 0 15 27 1 0 0 0 0 16 24 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 19 2 0 0 0 0 17 30 1 0 0 0 0 18 21 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END > 2347892 > 0.6 > 1 2 > 30 1 0.31 10 -0.15 11 0.46 12 0.05 13 0.23 14 0.01 15 -0.15 16 0.26 17 -0.15 18 -0.15 19 -0.15 2 0.05 20 -0.15 21 -0.15 22 -0.15 23 0.18 27 0.15 3 -0.71 30 0.15 31 0.15 32 0.15 33 0.15 34 0.15 35 0.15 4 -0.57 5 -0.57 6 0.4 7 0.13 8 -0.14 9 0.05 > 2.2 > 8 3 1 4 7 cation 3 2 5 14 cation 3 3 4 11 cation 5 1 3 4 7 11 rings 5 1 6 7 8 9 rings 5 2 5 10 13 14 rings 6 10 12 13 15 17 19 rings 6 8 9 18 20 21 22 rings > 24 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 0023D37400000001 > 62.7818 > 43.932 > 10595046 47 18411138047511971128 10835480 77 18411977001113418664 11315181 36 18060140942330184281 11524674 6 16343984736882261943 11578080 2 16986294231524751122 11719270 70 18131631154172419998 12091667 2 18334579049271273875 12107183 9 17688871938844179696 12166972 35 18411702122779180809 12236239 1 18410856563940038120 12516196 113 18202563986479920336 12616971 3 14620790535264664561 13288520 33 18413107273581070991 13533116 47 13901920964455339596 13668630 136 17632303376003312670 13685833 64 18408326596448812994 13782708 43 17845652672260285735 13862211 1 18412825811078065471 14251764 18 18333730234963680050 14341114 176 18408609154078976936 14933364 13 18408325475335676560 15183329 4 18335981991073428906 15196674 1 18409730672918646161 1577012 14 18408045125598381508 15788980 27 18060135444676930572 17844677 252 18410863169674086152 17857418 61 18410011031288307882 1813 80 16805324388347747956 18681886 176 18341608248371505456 19141452 34 18408323302377637054 200 152 18202563981752221857 20281389 69 18260547809843865116 21130935 74 18272369759113730194 21236236 1 18411701002630869203 21267235 1 18408611374234132235 21315763 28 18410574002663805114 21709351 56 18260543433730756661 23081809 10 18408045121355934340 23402539 116 18341890797248373461 23522609 53 18195277522469857800 23536379 177 18410575071978650336 23559900 14 18412538842516644544 23569943 247 17314780798886220946 29717793 49 18272938202709481660 3004659 81 18333452024251811130 335352 9 18409168800748880364 34797466 226 17489596705573146620 350125 39 18408886217818540436 3545911 37 18410294709588509624 397830 11 15912182377989502602 4015057 19 18261956379086964585 4073 2 17895762910654170810 4214541 1 18409450284363037001 4325135 7 18343018913463952951 4463277 17 18408324376166829696 465052 167 18272373058112382566 5104073 3 18410013251427646185 559249 180 18412260627942233727 59755656 215 18334860485467152414 59755656 520 17095524006830914243 7495541 125 17703788171358440377 9996256 80 18411981377410351303 > 469 18.95 1.97 0.66 2.1 0.13 0.05 2.53 1.08 -1.01 0.12 -0.32 0.11 -0.61 > 1065.652 > 249.9 > 2 5 10 $$$$