637 -OEChem-03292406053D 29 30 0 1 0 0 0 0 0999 V2000 1.3751 -0.5545 0.6630 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3106 1.3749 -1.6637 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5833 -2.2916 0.8218 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7801 1.9637 1.3472 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8006 0.1995 0.2280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1907 0.4834 0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6308 -1.0379 -0.6481 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 1.1068 -0.4623 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1549 1.4594 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5438 -0.3803 -0.1555 C 0 0 1 0 0 0 0 0 0 0 0 0 0.5428 0.6075 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 3.7635 -0.9075 0.5792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9976 -0.9514 -0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9221 0.9369 0.6808 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2092 -1.4045 -0.8332 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3614 -0.6045 -0.3424 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0778 1.6719 0.3577 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9577 2.5278 -0.4449 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7752 1.1929 -1.5733 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5699 1.1454 1.4735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -0.9679 -1.0698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8943 -0.4136 1.5476 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6743 -0.7747 -0.0114 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 1.0564 -1.5545 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1255 -1.4879 -0.8716 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7684 -2.3951 1.3425 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3720 -2.2970 -1.4223 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4463 -0.5235 -0.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7959 -1.8783 -1.1921 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 24 1 0 0 0 0 3 12 1 0 0 0 0 3 26 1 0 0 0 0 4 14 2 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 14 1 0 0 0 0 6 16 2 0 0 0 0 7 16 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 21 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 M END > 637 > 0.6 > 17 63 27 3 56 6 34 58 14 46 62 18 21 38 41 20 11 24 70 67 44 36 28 54 22 13 47 8 12 39 16 52 33 23 5 53 61 72 69 43 42 59 35 64 32 15 49 40 68 31 51 10 19 57 26 71 60 65 4 1 29 66 50 30 37 25 7 9 48 45 55 2 > 21 1 -0.56 10 0.28 11 0.58 12 0.28 13 -0.04 14 0.84 15 -0.14 16 0.49 2 -0.68 24 0.4 25 0.15 26 0.4 27 0.15 28 0.4 29 0.4 3 -0.68 4 -0.57 5 -0.47 6 -0.66 7 -0.85 8 0.28 > 3 > 10 1 1 acceptor 1 2 acceptor 1 2 donor 1 3 acceptor 1 3 donor 1 4 acceptor 1 6 donor 1 7 donor 5 1 8 9 10 11 rings 6 5 6 13 14 15 16 rings > 16 > 0 > 3 > 0 > 0 > 0 > 1 > 3 > 0000027D00000011 > 45.0274 > 50.797 > 10062212 137 18343576322730272455 11543360 7 17531805891479073735 11578080 2 18194654073712567792 11769659 78 18412820278859338971 12932764 1 18271817842672550080 13581323 91 17917705786325070170 13690532 89 18411130329804166147 13760787 5 18408887356464525511 14144814 61 18272938232019988889 14576447 43 18338233885497856958 15442244 35 18338517426517263160 15669948 3 18060139889799251167 16752209 62 18131067117612715247 16945 1 17846785104505982037 1813 80 18042973056601175878 18186145 218 16298384651929326617 19026448 4 16877944966535304539 19422 9 18408888425320655475 200 152 18411129247530241495 20279233 1 15841551868434176996 20559304 39 18343017809277296074 20645476 183 18264775539489955431 20645477 70 17894907438477439202 21501925 9 18411409605857640402 22112679 90 18341336600053465328 2255824 54 18113902667530359802 22646028 28 18411415107257332083 232386 152 18059849571722332486 23402539 116 17489294288214237349 23463225 33 18411698747113818286 23557571 272 16988567904984388904 23559900 14 17418103083458722004 23598291 2 18336840679996126292 2748010 2 17628344189176458999 312423 11 18337968821453865218 474 4 17972884940922679452 57096353 35 18339086002608914725 603831 33 18341615970527589668 6992083 37 18195254308292279864 7364860 26 18129092497629493104 7615 1 18410862031681813112 77492 1 18410582772712782024 8030462 33 18338807809161297568 81228 2 15912225104471350560 > 290.85 7.3 1.84 1.09 1.26 0.11 -0.13 2.55 -0.67 -0.7 0.21 -0.4 -0.25 -1.79 > 610.236 > 163.8 > 2 5 10 $$$$