B3A1WJ -OEChem-04022112373D 34 36 0 0 0 0 0 0 0999 V2000 -7.6008 -0.8013 -0.0552 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.0976 -0.7265 -0.0049 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5340 -0.5886 -1.5746 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4737 0.5180 0.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5899 -2.0029 0.4898 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5765 3.5484 -0.8084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6881 3.1514 1.1341 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8040 -1.0955 -0.0570 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1849 0.2610 0.0497 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5381 -0.9891 -0.0439 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 1.4114 0.1299 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5881 0.3349 0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5364 0.0391 0.0225 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3552 -0.8238 -0.0201 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9946 1.3050 0.1165 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3296 -2.1316 -0.1236 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7247 -2.0584 -0.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 -0.1595 0.0040 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9528 2.7543 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7374 0.4175 -1.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5764 -0.9281 0.9951 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1189 0.2261 -1.0227 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9580 -1.1194 0.9776 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7291 -0.5424 -0.0313 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0938 1.2948 0.1131 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6253 2.1865 0.1877 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8596 -3.1106 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2943 -2.9806 -0.1848 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2808 1.0155 -1.7903 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9923 -1.3829 1.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7054 0.6816 -1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4181 -1.7203 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5040 -0.5177 -1.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9589 4.4490 -0.7364 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 3 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 14 1 0 0 0 0 3 33 1 0 0 0 0 6 19 1 0 0 0 0 6 34 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 11 15 2 0 0 0 0 11 19 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 14 17 1 0 0 0 0 15 26 1 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 20 22 1 0 0 0 0 20 29 1 0 0 0 0 21 23 2 0 0 0 0 21 30 1 0 0 0 0 22 24 2 0 0 0 0 22 31 1 0 0 0 0 23 24 1 0 0 0 0 23 32 1 0 0 0 0 M END $$$$