B56OXE -OEChem-04022107003D 36 38 0 0 0 0 0 0 0999 V2000 -3.2135 1.3832 -2.0923 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.1541 -1.7643 0.1271 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7998 -2.8185 -0.4907 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0836 -1.8015 1.5821 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -2.9404 -0.6639 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -1.1727 1.0121 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7772 -0.4248 -0.4614 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0366 -0.9707 1.1324 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5832 -0.2632 -0.3355 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8457 -1.4215 -0.2252 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9765 1.0276 -0.1497 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9251 1.6249 1.1100 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9495 -0.5261 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4341 1.6833 -1.2549 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2044 -1.8751 -0.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3315 2.8777 1.2641 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1980 -0.4503 -0.0373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4956 0.9533 2.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8404 2.9362 -1.1006 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7891 3.5333 0.1588 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2295 0.2338 -0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3497 -0.1272 0.1447 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7496 0.3030 -0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7125 0.2309 -0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6489 -0.1504 -1.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4653 1.2339 -2.2449 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -2.3519 -0.9788 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2816 3.3580 2.2378 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9739 0.0149 2.5268 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5640 0.7552 2.1837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3989 1.5791 3.2124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4169 3.4460 -1.9610 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3259 4.5083 0.2788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1306 0.0139 -1.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4045 -0.1468 0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8323 1.3905 0.0785 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 7 1 0 0 0 0 2 10 1 0 0 0 0 3 10 1 0 0 0 0 3 15 1 0 0 0 0 6 8 1 0 0 0 0 6 17 1 0 0 0 0 7 17 1 0 0 0 0 7 25 1 0 0 0 0 8 22 2 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 9 13 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 13 24 1 0 0 0 0 14 19 1 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 17 21 2 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$