LJU18D -OEChem-05032301373D 43 44 0 1 0 0 0 0 0999 V2000 -2.4533 -0.9675 -1.5890 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4818 -2.1258 1.6425 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5791 -4.1976 0.1431 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1906 1.8958 2.5012 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2289 3.5054 0.8770 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6041 0.0387 0.7655 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1552 -1.9771 -0.2573 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7078 -2.2953 0.0327 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1128 -1.1879 0.1856 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.0944 -2.3060 0.3682 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4665 0.5339 -1.4675 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8951 1.6050 -0.5557 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0290 1.3102 0.4403 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5403 -1.5617 -0.4649 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3611 -1.9118 0.4373 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5745 -3.6020 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4254 2.9798 -0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7664 -0.0645 -0.5015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4418 2.3781 1.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1219 0.7152 -1.4619 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6192 0.5346 0.4255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3305 2.0941 -1.4954 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8277 1.9133 0.3921 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1834 2.6931 -0.5685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0549 -1.4602 0.6757 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9257 -2.4934 1.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9818 -0.0370 1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4739 0.2626 -1.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5512 0.9249 -2.4874 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1538 -1.8079 -1.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3446 -1.9231 -1.4823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9770 -4.0137 -1.0708 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4414 3.6491 -0.0168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4655 2.9154 -1.2209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8336 3.4352 -1.6807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4987 -2.1387 -0.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5205 -3.2971 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 0.2614 -2.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1230 -0.0411 1.1968 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8275 2.7013 -2.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4884 2.3808 1.1164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3445 3.7669 -0.5935 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7964 2.5739 3.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 19 1 0 0 0 0 4 43 1 0 0 0 0 5 19 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 27 1 0 0 0 0 7 10 1 0 0 0 0 7 15 1 0 0 0 0 7 30 1 0 0 0 0 8 14 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 10 1 0 0 0 0 9 25 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$