B3VX2Y -OEChem-04022115133D 52 52 0 1 0 0 0 0 0999 V2000 2.3761 1.0369 -0.8313 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4127 -1.0103 0.4635 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1391 0.3895 -2.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4367 2.0169 -0.6964 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -3.7411 -0.0810 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2966 -2.1976 0.3485 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2841 -2.9600 0.0167 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5648 -0.1427 0.3752 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2750 -1.1972 1.1397 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8756 1.8288 -0.3354 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9723 -1.4894 0.1902 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0208 -1.7891 1.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7929 2.4477 0.9119 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2271 1.8313 -1.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5758 -1.5434 -0.1799 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4950 3.0721 0.4505 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3925 3.0695 1.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4123 2.4530 -0.7968 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9528 2.4631 1.8537 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1771 1.1773 -2.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -2.4748 0.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2293 -1.8483 -1.6365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6726 -0.4839 -0.0992 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9998 -2.8132 0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3204 -1.8306 0.4943 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7633 3.7356 0.8697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4549 -1.5626 -0.7717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3098 -0.0521 1.0768 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 -2.8680 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4095 -1.4015 2.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4630 3.5539 2.2757 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2767 2.4584 -1.4567 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4330 -0.2574 1.4901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7264 3.0844 2.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8453 2.9123 1.4146 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1659 1.4687 2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1283 1.3326 -3.0596 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0872 0.0894 -2.4535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5691 1.6373 -3.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1431 -2.0019 -2.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6295 -2.7498 -1.7835 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6766 -1.0168 -2.0890 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6006 -0.8197 -0.5732 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8888 -0.2274 0.9442 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3514 0.4447 -0.5852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0262 -3.0877 0.2848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9689 -2.6664 1.6425 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3926 -3.6938 0.3325 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7942 4.7615 0.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6345 3.1914 0.4892 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8561 3.7646 1.9607 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4350 -4.3808 -0.0955 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 8 1 0 0 0 0 1 10 1 0 0 0 0 2 15 1 0 0 0 0 2 25 1 0 0 0 0 5 21 1 0 0 0 0 5 52 1 0 0 0 0 6 21 2 0 0 0 0 7 25 2 0 0 0 0 8 11 1 0 0 0 0 8 28 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 0 0 0 0 9 33 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 11 27 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 18 2 0 0 0 0 14 20 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 26 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 M END $$$$