BKX79B -OEChem-04012113323D 26 27 0 0 0 0 0 0 0999 V2000 -2.1532 2.5939 0.9720 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.9382 -1.2749 1.3104 S 0 0 0 0 0 0 0 0 0 0 0 0 2.1758 0.5119 -2.3294 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9673 -1.3572 0.0648 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0281 -0.8791 2.2098 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5162 -2.6802 1.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2912 2.2451 -0.2976 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6740 1.8441 1.2485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4257 -0.2798 1.6862 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0297 -0.9936 -0.7538 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3484 -0.8171 -0.2922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8957 0.3972 -0.6439 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5165 -0.2647 0.7491 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1567 -1.6646 -1.4215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2764 0.8271 0.3883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5646 -1.0657 -2.5930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1960 0.3153 -0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 1.5115 0.1820 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2604 1.0307 -1.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2110 0.6415 2.0899 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7403 -2.6633 -1.3903 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5321 -1.4790 -3.5912 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8368 1.8310 -1.8842 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8215 0.3638 -1.9321 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9728 1.4764 -0.5669 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5019 3.0021 0.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 5 2 0 0 0 0 2 6 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 7 18 1 0 0 0 0 7 26 1 0 0 0 0 8 18 2 0 0 0 0 9 13 1 0 0 0 0 9 20 1 0 0 0 0 10 17 2 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 21 1 0 0 0 0 15 17 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 19 23 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 M END $$$$