BDF52M -OEChem-04022110193D 42 45 0 0 0 0 0 0 0999 V2000 -1.2047 3.4902 -0.1396 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.1864 -0.6939 -0.6598 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0087 -2.1412 0.2277 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1696 0.1391 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5535 1.1764 0.3850 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0958 -0.9555 0.1260 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6224 0.3707 0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 -0.7753 -0.5644 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 -0.4886 -0.1444 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4777 0.4995 -0.0704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9982 0.5284 0.2962 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8738 0.8376 -0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9924 -1.8032 -1.0146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2831 -0.3541 0.0696 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3619 -1.6304 -0.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8019 -0.2016 0.0259 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3103 2.1621 -0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1669 0.0836 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8616 -0.8433 1.2408 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0779 0.2645 -0.8952 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6754 2.4475 -0.0258 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6036 1.4083 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2351 -0.7139 1.4471 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4513 0.3940 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0300 -0.0951 0.4822 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4855 -0.8770 0.1709 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4375 -2.2287 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3759 1.4162 0.7947 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5992 -2.6820 -1.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0430 -2.4107 -1.1223 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4813 -1.2413 0.0584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2565 -1.3282 2.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6430 0.6513 -1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0316 3.4746 -0.0453 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6427 1.7060 0.0619 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 -1.0947 2.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 0.8757 -1.4402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7089 -1.8961 0.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0993 0.0058 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7115 -3.2862 0.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8763 -1.7873 -0.6203 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8145 -1.7323 1.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 3 26 1 0 0 0 0 3 27 1 0 0 0 0 4 26 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 18 1 0 0 0 0 6 26 1 0 0 0 0 6 38 1 0 0 0 0 7 8 2 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 9 11 2 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 11 28 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 30 1 0 0 0 0 16 18 2 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 32 1 0 0 0 0 20 24 2 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 25 2 0 0 0 0 23 36 1 0 0 0 0 24 25 1 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$