B9THV7 -OEChem-04022106522D 43 46 0 0 0 0 0 0 0999 V2000 9.0602 -1.8760 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 1.1482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -2.8519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 -2.8864 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6026 1.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7540 0.2229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2785 1.1827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3961 -1.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -1.3518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 -0.3519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 0.1481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5301 -1.8518 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2901 -1.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 -1.8865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7702 0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 -1.3727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 -0.3310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1387 1.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0105 1.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1272 2.6927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8706 1.7128 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9873 3.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8591 2.7127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7424 1.2228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 -2.5065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7773 0.8028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7319 -0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7380 1.4865 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3284 -0.0190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6879 -1.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -2.1881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3121 -2.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0176 0.5828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5867 2.9964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8118 -3.2026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9802 3.8226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3924 3.0289 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1431 1.4290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 15 1 0 0 0 0 4 40 1 0 0 0 0 5 29 1 0 0 0 0 5 43 1 0 0 0 0 6 29 2 0 0 0 0 7 12 1 0 0 0 0 7 22 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 10 16 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 15 20 2 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 21 2 0 0 0 0 17 31 1 0 0 0 0 18 20 1 0 0 0 0 18 32 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 21 34 1 0 0 0 0 22 24 1 0 0 0 0 22 25 2 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 29 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$