7407 -OEChem-03292407493D 19 19 0 0 0 0 0 0 0999 V2000 0.2817 0.0239 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7359 0.0536 0.0209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4384 1.1990 -0.2048 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3927 -1.1796 0.2163 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8330 1.1704 -0.2146 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -1.2081 0.2065 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5009 -1.1725 -0.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5074 -0.0332 -0.0089 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4401 1.1467 0.4179 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 2.1524 -0.3915 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1344 -2.1120 0.3978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3942 2.0841 -0.3874 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3128 -2.1447 0.3688 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1042 -1.5375 -1.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4397 -1.9747 0.2987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5631 -0.9542 -0.6022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5932 -0.0556 -0.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5261 1.1415 0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9699 2.0538 0.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 2 7 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 10 1 0 0 0 0 4 6 2 0 0 0 0 4 11 1 0 0 0 0 5 8 2 0 0 0 0 5 12 1 0 0 0 0 6 8 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 17 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 M END > 7407 > 0.4 > 3 1 2 > 16 1 0.03 10 0.15 11 0.15 12 0.15 13 0.15 17 0.15 18 0.15 19 0.15 2 -0.17 3 -0.15 4 -0.15 5 -0.15 6 -0.15 7 0.14 8 -0.15 9 -0.3 > 1 > 1 6 1 3 4 5 6 8 rings > 9 > 0 > 0 > 0 > 0 > 0 > 1 > 1 > 00001CEF00000003 > 26.8001 > 5.074 > 10857977 72 18263636441021751521 12524768 44 18410009965767003918 12716758 59 18335137557606122779 12897270 3 18410856585594222806 14325111 11 18411135818519078413 16945 1 18335139799573685481 19973954 147 18412265034225193040 20201158 50 18271526399245485446 20645464 45 18341886403132728776 20871998 184 18198065991410649407 21040471 1 18262235504304724165 23552423 10 18187368739746713654 2748010 2 18409448093897866271 29004967 10 18340209707840014930 369184 2 18273494580714093329 5084963 1 18040723510848216172 > 185.22 3.78 1.54 0.68 0.85 0.02 0 0.05 0.04 0.04 0.01 0.08 0 0.4 > 380.437 > 103.5 > 2 5 10 $$$$