BX2TB4 -OEChem-04022105303D 39 41 0 0 0 0 0 0 0999 V2000 3.3007 1.1762 -2.4021 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.2022 -1.3254 -0.1670 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4933 0.3900 -1.2972 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3769 -0.0336 0.8612 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1777 -2.1378 1.0351 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3930 -1.2995 -0.9945 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3063 -0.9952 1.0273 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8237 -1.7043 -1.1284 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6020 0.8694 -0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6451 -0.4512 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2060 -0.1027 0.4892 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0168 -1.1456 0.5114 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1634 2.1426 0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6816 1.2368 -1.5657 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3768 -0.6413 -1.1851 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5228 -1.5137 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1227 -2.0269 1.1226 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1506 -2.2049 0.5814 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8532 0.3369 0.3303 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 1.4062 -0.5648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 0.5585 1.6714 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5998 2.6972 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2570 1.8494 2.1174 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2868 2.9188 1.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9989 2.6061 0.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 1.9255 0.9356 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7438 2.8765 -0.4963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0245 0.3416 -2.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5541 1.7065 -1.0992 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2857 1.9207 -2.3254 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5979 -1.5938 1.7943 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0932 -0.1068 -2.0886 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4087 -2.5843 2.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 -2.9172 1.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9021 -1.4866 -2.1305 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5034 -0.2479 2.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6173 3.5437 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0119 2.0222 3.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0657 3.9238 1.5697 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 $$$$