B1S9OL -OEChem-04012116012D 40 42 0 1 0 0 0 0 0999 V2000 4.5981 3.7500 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.2500 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -1.7500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.2500 0.0000 N 0 0 0 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 2.0000 0.2500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.2500 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0622 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -3.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.6300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4516 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8501 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5297 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3267 -4.2250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -3.8326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -3.1423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 -2.3577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0063 -1.6674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5947 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7976 -1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 18 2 0 0 0 0 5 14 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 14 2 0 0 0 0 6 15 1 0 0 0 0 7 24 3 0 0 0 0 8 9 1 0 0 0 0 8 13 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 12 1 0 0 0 0 11 30 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 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 18 1 0 0 0 0 17 24 1 0 0 0 0 19 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 2 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 M END $$$$