B1XJ2F -OEChem-04022107092D 55 57 0 1 0 0 0 0 0999 V2000 10.5948 0.8354 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 1.1820 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 0.6865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1756 2.4091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7469 2.9045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3347 2.0955 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 1.3910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0257 1.1444 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 -3.4434 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 -3.9434 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 7.1027 -4.4434 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 7.7469 2.9045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0559 3.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2469 4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4379 3.8556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3347 2.0955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 2.2000 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7579 3.1136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7634 3.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3457 3.9226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 0.5566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6437 1.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 -0.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 1.4955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 -0.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7007 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9687 -1.9434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8347 -2.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5865 3.0375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6223 3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3659 4.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6618 4.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8321 4.9041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 4.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8715 3.6034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5480 2.2648 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3745 3.0488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6991 2.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8290 0.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8282 3.8347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1468 3.2829 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6986 2.6015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8472 3.5582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7101 4.4242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8441 4.2870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 -0.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 -0.6334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2377 -2.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4318 -2.2534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 1.4076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 0.8559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 0.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 25 1 0 0 0 0 3 31 1 0 0 0 0 4 25 2 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 17 1 0 0 0 0 6 23 1 0 0 0 0 6 41 1 0 0 0 0 18 7 1 1 0 0 0 7 25 1 0 0 0 0 7 42 1 0 0 0 0 8 17 2 0 0 0 0 8 22 1 0 0 0 0 9 10 2 0 0 0 0 9 30 1 0 0 0 0 10 11 2 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 32 1 6 0 0 0 13 14 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 14 15 1 0 0 0 0 14 35 1 0 0 0 0 14 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 39 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 40 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 27 29 2 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 30 1 0 0 0 0 29 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M CHG 2 10 1 11 -1 M END $$$$