B9APW5 -OEChem-04012114192D 54 54 0 1 0 0 0 0 0999 V2000 5.0119 0.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.2621 2.4980 0.0000 Br 0 5 0 0 0 0 0 0 0 0 0 0 6.2021 10.5466 0.0000 S 0 3 3 0 0 0 0 0 0 0 0 0 4.4775 9.3685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 11.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9395 9.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 8.1106 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2152 6.5012 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 8.3059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 6.8059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4578 11.4891 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 5.3059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8534 8.9133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4792 10.3685 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.5287 10.6792 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.9395 9.8712 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5259 9.0612 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2892 10.9549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0121 11.1330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 7.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7988 7.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9249 10.7247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3049 9.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 6.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7350 11.3111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6478 10.9027 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.4030 6.3059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 7.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7506 9.9080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0311 10.0861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9165 10.7773 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6590 10.4241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9133 8.9652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6368 11.4683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 11.3864 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3597 11.6464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5668 11.5645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6370 12.0908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6304 10.4104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4188 7.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5774 10.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3702 10.2932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 9.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3686 8.9352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9216 9.6156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0826 11.8245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2897 11.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5841 11.5195 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 8.1159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0238 11.2360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3941 12.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8660 4.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 4.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0119 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 54 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 14 1 0 0 0 0 4 17 1 0 0 0 0 15 5 1 6 0 0 0 5 38 1 0 0 0 0 16 6 1 6 0 0 0 6 39 1 0 0 0 0 17 7 1 1 0 0 0 7 20 1 0 0 0 0 7 21 1 0 0 0 0 8 21 2 0 0 0 0 8 24 1 0 0 0 0 9 20 2 0 0 0 0 9 28 1 0 0 0 0 10 27 1 0 0 0 0 10 28 2 0 0 0 0 11 26 1 0 0 0 0 11 50 1 0 0 0 0 11 51 1 0 0 0 0 12 27 1 0 0 0 0 12 52 1 0 0 0 0 12 53 1 0 0 0 0 13 29 3 0 0 0 0 14 15 1 0 0 0 0 14 18 1 1 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 22 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 27 2 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 29 1 0 0 0 0 26 48 1 0 0 0 0 28 49 1 0 0 0 0 M CHG 2 2 -1 3 1 M END $$$$