BKCH95 -OEChem-04022107462D 48 50 0 0 0 0 0 0 0999 V2000 11.5263 1.0600 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9400 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.0600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 -2.8060 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 -1.0740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 5.5600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.9400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 4.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 5.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 0.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -0.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.3323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 4.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 5.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 6.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -5.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 2 11 1 0 0 0 0 3 13 1 0 0 0 0 3 15 1 0 0 0 0 6 28 2 0 0 0 0 7 10 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 38 1 0 0 0 0 9 27 1 0 0 0 0 9 30 2 0 0 0 0 10 28 1 0 0 0 0 10 47 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 16 2 0 0 0 0 12 21 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 14 23 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 1 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 24 2 0 0 0 0 21 39 1 0 0 0 0 22 26 1 0 0 0 0 22 27 2 0 0 0 0 23 24 1 0 0 0 0 23 40 1 0 0 0 0 25 28 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 26 29 2 0 0 0 0 26 43 1 0 0 0 0 27 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 M END $$$$