B7MSA3 -OEChem-04022105262D 47 49 0 1 0 0 0 0 0999 V2000 5.4641 3.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.7500 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 2.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7500 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.4641 0.7500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 1.3326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 0.6423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6728 -0.8577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2742 -0.1674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8162 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5762 3.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -4.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 27 1 0 0 0 0 4 28 1 0 0 0 0 7 20 1 0 0 0 0 7 26 1 0 0 0 0 8 21 2 0 0 0 0 9 15 1 0 0 0 0 9 16 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 15 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 17 1 0 0 0 0 17 19 2 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 20 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 44 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 28 29 2 0 0 0 0 29 47 1 0 0 0 0 M END $$$$