BD39GS -OEChem-04012115253D 26 27 0 0 0 0 0 0 0999 V2000 3.2136 -3.3243 0.8894 Br 0 0 0 0 0 0 0 0 0 0 0 0 -1.8581 0.1086 1.2837 S 0 0 0 0 0 0 0 0 0 0 0 0 3.5245 1.8012 -0.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9387 1.9255 -1.0612 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4479 -0.3346 -2.1660 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2548 0.4755 2.3245 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0875 0.0838 0.0320 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6612 -0.4207 -0.6522 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4420 0.7347 -0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7082 -0.3908 -1.1484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7507 0.6803 -0.1434 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8176 -0.1775 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1890 -1.6306 -0.2014 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2786 -0.5296 0.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4977 -1.6852 0.2782 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1846 -0.1603 -0.9856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6106 0.2561 1.3103 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4734 2.5877 1.0793 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7978 -0.5599 -2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5806 -2.5328 -0.2245 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3001 -0.5626 0.6790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0826 0.1335 -0.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6386 2.5986 -1.0079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1060 3.4678 0.9351 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 2.0166 1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4508 2.9213 1.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 12 1 0 0 0 0 2 17 1 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 4 9 1 0 0 0 0 4 23 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 22 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 19 1 0 0 0 0 11 14 2 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 18 24 1 0 0 0 0 18 25 1 0 0 0 0 18 26 1 0 0 0 0 M END $$$$