BKET50 -OEChem-04022117293D 42 45 0 0 0 0 0 0 0999 V2000 -5.7007 1.2095 2.2522 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.1890 3.1690 0.0823 F 0 0 0 0 0 0 0 0 0 0 0 0 3.1577 -2.0774 0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4888 2.5826 2.3251 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3371 2.6893 1.0065 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -3.3407 0.7258 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0914 1.1527 0.4534 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9014 -0.2037 -0.8889 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1700 -3.9969 0.7183 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6939 -2.3082 -0.1368 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3649 -1.8556 -0.0499 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9477 -1.2418 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 0.4836 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3134 -0.0358 -0.5861 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1834 -3.1231 0.4806 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6360 0.4163 -1.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6468 -1.4809 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9526 -2.2294 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3822 1.5529 0.2251 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7465 1.1085 -1.0267 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5820 -0.2284 -2.8975 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9763 0.6380 -0.6425 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3907 -3.5235 0.3867 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1595 2.2993 1.1631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7236 0.5248 0.5439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3452 1.6266 -1.5727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8037 1.3721 0.7918 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4251 2.4738 -1.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1543 2.3466 -0.1426 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5704 0.6692 -0.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5422 -4.2039 1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5582 1.3375 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 1.2652 -1.4981 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3068 0.0515 -1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5060 -0.0623 -3.4608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4409 -1.3094 -2.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7527 0.1729 -3.4893 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2276 -4.1901 0.5588 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4545 -0.2126 1.2972 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7873 1.7395 -2.4997 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6984 3.2327 -2.0521 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0463 3.0954 2.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 1 0 0 0 0 2 29 1 0 0 0 0 3 18 2 0 0 0 0 4 24 1 0 0 0 0 4 42 1 0 0 0 0 5 24 2 0 0 0 0 6 15 1 0 0 0 0 6 18 1 0 0 0 0 6 31 1 0 0 0 0 7 13 1 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 17 1 0 0 0 0 8 22 1 0 0 0 0 8 34 1 0 0 0 0 9 15 1 0 0 0 0 9 23 2 0 0 0 0 10 17 2 0 0 0 0 10 23 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 14 2 0 0 0 0 12 18 1 0 0 0 0 13 14 1 0 0 0 0 13 16 2 0 0 0 0 14 30 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 26 1 0 0 0 0 23 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 2 0 0 0 0 26 40 1 0 0 0 0 27 29 2 0 0 0 0 28 29 1 0 0 0 0 28 41 1 0 0 0 0 M END $$$$