70490059 -OEChem-03292407393D 34 34 0 0 0 0 0 0 0999 V2000 1.5615 0.3684 -0.4224 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1660 -0.3379 0.3286 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5173 -1.3358 -0.0751 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9500 -1.8919 -0.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2015 -0.7650 -0.6768 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 0.2378 -0.0190 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2834 0.7548 -0.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7628 -0.1589 -0.2884 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5820 1.3541 -0.2704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3366 1.5483 0.3795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0194 2.0654 0.2393 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 -0.7148 -0.1537 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9267 0.7268 -0.5838 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2906 2.4619 0.5089 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 -0.2769 0.1429 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3494 -1.0036 0.1682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8573 -0.9408 0.1972 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 -2.0919 1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5373 -1.1759 -0.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4210 2.1870 -0.9651 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6071 1.7042 0.7692 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3390 1.9008 0.6007 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7806 2.8285 0.3591 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7192 1.4779 -0.4934 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9172 0.3219 -1.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4966 3.4823 0.8193 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8596 0.5522 -0.5258 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6622 0.0340 1.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9625 -0.6397 1.2439 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1567 -0.1216 -0.4636 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5120 -1.7965 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4471 -1.6596 2.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4127 -2.6196 1.0560 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6470 -2.8065 1.0663 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 9 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 17 1 0 0 0 0 4 12 2 0 0 0 0 5 16 2 0 0 0 0 6 8 2 0 0 0 0 6 10 1 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 19 1 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 M END > 70490059 > 1 > 3 67 65 21 49 24 35 33 27 61 45 19 28 64 47 38 53 31 22 55 15 30 44 8 56 4 57 50 26 32 60 5 54 52 29 36 59 41 17 58 14 11 46 18 25 39 34 48 9 16 62 20 23 40 1 51 7 69 43 37 10 6 68 66 13 42 2 12 63 > 22 1 -0.36 10 -0.15 11 -0.15 12 0.42 13 0.28 14 -0.15 15 0.34 16 0.66 17 0.28 18 0.06 19 0.15 2 -0.43 22 0.15 23 0.15 26 0.15 3 -0.56 4 -0.57 5 -0.57 6 0.09 7 0.08 8 -0.15 9 0.28 > 8 > 5 1 1 acceptor 1 3 acceptor 1 4 acceptor 1 5 acceptor 6 6 7 8 10 11 14 rings > 18 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 043397CB00000003 > 48.1178 > 25.382 > 10753850 27 18186514402052940922 12236239 1 18259706683385020652 12760667 363 18412544319053256927 12839892 36 18130503046515081246 13167823 11 18408604730510374024 13288520 33 18411984645727417861 13533116 47 18335701667664944200 13551218 46 18343866589020046935 13862211 1 18343582980040260311 1420 369 18410856551545837610 14251752 14 18187358801730506653 15042514 8 18341897333798792337 17857418 61 18409728452568331626 18006028 8 18272932734878730829 19784866 140 18114176441303414569 19784866 240 18113060432389788917 200 152 18335417963141329404 20403669 9 18343025492863272390 204376 136 8935010269517647789 20767249 213 10231758885811056495 21150785 3 16008754632019862918 21267235 1 18411426111000259863 22079108 93 13902188200845278301 2297311 6 18059585654930819092 23198884 109 15357695271467636085 23402539 116 18201717354042145261 23557571 272 17703521995250676580 23559900 14 18339355366189664296 25147074 1 18338817666006383516 28498 318 18334573534681147303 3004659 81 18187645825482885364 335352 9 18412826906911644957 351380 3 18335419058722175178 4072396 5 17917716820391355703 465052 167 18341337785195251335 5104073 3 18202278079181636160 5207 217 8790884073735634529 559249 180 18262795155644082425 573450 72 18338233744307359008 59755656 215 18411983529031023287 76465 3 18409728456715709896 > 341.08 15.1 2.21 0.78 3.15 0.47 0.08 -11.84 0.88 0.1 0.44 0.57 -0.11 -1.17 > 691.48 > 199 > 2 5 10 $$$$