B4DCG6 -OEChem-04012118102D 41 43 0 0 0 0 0 0 0999 V2000 3.7320 1.0412 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.0412 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9588 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9641 0.9072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9641 -0.8248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.0412 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7078 -1.0520 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8769 -2.6612 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8988 -2.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3769 -1.7952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6592 -1.2688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -1.7688 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8367 -0.4456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4380 -2.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.1488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.5788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9935 -1.7304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4142 1.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 2.1612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1742 1.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 2.6612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 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 18 1 0 0 0 0 3 26 1 0 0 0 0 4 15 1 0 0 0 0 4 28 1 0 0 0 0 7 22 1 0 0 0 0 7 41 1 0 0 0 0 8 22 2 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 19 1 0 0 0 0 10 27 1 0 0 0 0 10 33 1 0 0 0 0 11 23 1 0 0 0 0 11 27 2 0 0 0 0 12 13 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 22 1 0 0 0 0 14 15 2 0 0 0 0 14 17 1 0 0 0 0 14 19 1 0 0 0 0 16 17 2 0 0 0 0 16 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 32 1 0 0 0 0 23 34 1 0 0 0 0 24 26 2 0 0 0 0 24 35 1 0 0 0 0 25 26 1 0 0 0 0 25 36 1 0 0 0 0 27 37 1 0 0 0 0 28 38 1 0 0 0 0 28 39 1 0 0 0 0 28 40 1 0 0 0 0 M END $$$$