BJ5TF2 -OEChem-04022101142D 49 51 0 1 0 0 0 0 0999 V2000 2.8660 -4.5000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5575 -0.6637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6856 -1.1160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 0.7681 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1097 1.4067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.3007 0.0055 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2788 -0.2024 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3301 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 0.6636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5000 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2286 1.6192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4612 -0.5934 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8980 -0.2349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7287 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9316 1.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2386 2.0132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.3800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.8800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6864 -1.2701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 1.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 0.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3022 -1.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 4.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 5.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -3.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 10 2 1 6 0 0 0 2 37 1 0 0 0 0 11 3 1 6 0 0 0 3 40 1 0 0 0 0 4 13 2 0 0 0 0 5 15 1 0 0 0 0 5 22 1 0 0 0 0 6 22 2 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 34 1 0 0 0 0 8 12 1 0 0 0 0 14 8 1 1 0 0 0 8 35 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 1 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 11 13 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 36 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 41 1 0 0 0 0 18 20 2 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 2 0 0 0 0 26 48 1 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 M END $$$$