LJU1H2 -OEChem-05032301373D 53 54 0 1 0 0 0 0 0999 V2000 -1.0813 2.2258 -0.0984 F 0 0 0 0 0 0 0 0 0 0 0 0 0.0505 2.7578 -1.8832 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0949 -1.9072 -0.7007 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9236 -2.2498 0.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6623 2.6241 1.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9536 3.7700 -0.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8600 0.5046 -0.8744 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9837 0.6135 1.5299 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8586 -0.9998 2.8573 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0865 2.1958 0.1937 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2121 0.9130 -1.2018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 1.4676 -0.2312 C 0 0 2 0 0 0 0 0 0 0 0 0 3.3137 0.1476 -0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 -1.2258 -0.2897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1444 1.7751 -0.9694 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2104 -3.2308 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7200 -3.0534 0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4532 0.8295 -0.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6401 2.7395 0.4504 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5199 -2.0349 0.6086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2273 -1.9170 0.3537 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4796 0.1382 0.5641 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3667 -1.2352 0.7807 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7167 -1.1350 0.4665 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0817 -0.5902 -0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6139 -1.2121 -2.0219 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2016 -0.4846 1.5828 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3967 -2.4744 -2.3719 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2697 1.0481 0.2877 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7384 0.2538 -1.9409 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6570 1.7254 -1.7922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9336 0.7338 0.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5433 0.8997 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0783 -4.1431 0.5526 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1185 -3.3642 -1.0202 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2031 -3.9379 -0.3697 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0108 -2.9613 1.1155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5560 1.8989 -0.2427 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2534 -1.1292 0.0568 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2316 -1.8936 1.6564 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1973 -2.9906 0.5143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3677 0.6687 0.8948 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1696 -1.7742 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5424 -1.4327 -1.9810 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7349 -0.4910 -2.8404 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4684 -2.2631 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2645 -3.2554 -1.6163 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0550 -2.8744 -3.3319 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9645 3.4512 2.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6596 -1.9894 2.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 -0.5157 3.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3285 2.5602 -0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4189 2.6398 1.0385 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 3 14 1 0 0 0 0 3 17 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 5 19 1 0 0 0 0 5 49 1 0 0 0 0 6 19 2 0 0 0 0 7 25 1 0 0 0 0 7 29 2 0 0 0 0 8 27 2 0 0 0 0 8 29 1 0 0 0 0 9 27 1 0 0 0 0 9 50 1 0 0 0 0 9 51 1 0 0 0 0 10 29 1 0 0 0 0 10 52 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 15 1 0 0 0 0 12 19 1 0 0 0 0 12 32 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 21 2 0 0 0 0 15 33 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 23 1 0 0 0 0 21 41 1 0 0 0 0 22 23 2 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 28 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 M END $$$$