BX2TB4 -OEChem-04012117022D 39 41 0 0 0 0 0 0 0999 V2000 2.8757 1.5221 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 4.6038 0.5154 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 0.9879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7340 -1.0121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1072 1.3834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1005 -0.3525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4718 1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8679 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8679 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1359 -0.5121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3679 1.3540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 1.0226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 0.5087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2419 -1.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3359 -0.5329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 0.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 0.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.4779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 -0.1321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4879 0.4879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8679 1.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9049 1.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6779 1.8909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8310 1.6640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0019 -1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 1.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2491 -1.6667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8001 -0.8450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4742 1.6321 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2678 -1.2933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 0.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 -2.0979 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 -1.2825 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 8 1 0 0 0 0 2 19 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 11 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 31 1 0 0 0 0 8 16 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 12 2 0 0 0 0 10 15 1 0 0 0 0 12 17 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 18 1 0 0 0 0 17 18 2 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 2 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 24 1 0 0 0 0 22 37 1 0 0 0 0 23 24 2 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$