B5ECQ9 -OEChem-04022110193D 31 33 0 0 0 0 0 0 0999 V2000 -7.6768 -1.8077 0.1672 Br 0 0 0 0 0 0 0 0 0 0 0 0 -5.3936 1.9094 -0.4551 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0086 -1.8910 0.5147 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1905 1.6078 0.4839 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7543 0.2481 0.0667 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0509 -0.1416 0.0882 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9838 -0.5753 -0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2018 0.7838 0.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6698 -1.0602 -0.1089 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6257 -0.2134 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0629 -1.4071 -0.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5072 1.2650 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 1.1004 0.5194 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3584 -0.8994 -0.5418 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5803 0.4385 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2554 -0.6910 0.2916 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3468 0.5887 -0.1515 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0399 -0.5854 0.0464 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8912 0.8165 -0.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4489 -0.3980 -0.0530 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7790 0.9118 -0.3225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4714 -2.1039 -0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9003 -2.4559 -0.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 2.3093 0.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1913 1.8283 0.8217 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1897 -1.5450 -0.8079 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5878 0.8430 -0.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5647 1.2205 -0.1540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5584 -1.5339 0.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5501 1.8528 -0.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7649 1.3375 -0.4492 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 17 1 0 0 0 0 2 21 1 0 0 0 0 3 16 2 0 0 0 0 4 8 1 0 0 0 0 4 13 2 0 0 0 0 5 6 1 0 0 0 0 5 16 1 0 0 0 0 5 28 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 11 2 0 0 0 0 8 12 2 0 0 0 0 9 10 2 0 0 0 0 9 22 1 0 0 0 0 10 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 14 15 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 20 21 2 0 0 0 0 21 31 1 0 0 0 0 M END $$$$