BW06GB -OEChem-04022109283D 28 29 0 0 0 0 0 0 0999 V2000 5.4207 1.7038 -0.3312 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 -2.1558 -0.5611 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 -1.5862 1.6002 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4472 -0.6942 0.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4929 -2.0528 -0.7629 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2129 -1.4402 0.4566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7249 -0.4342 -0.3335 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3071 -1.0205 -0.7796 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7716 0.3472 1.1386 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4914 -0.3056 -0.9586 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9558 1.0622 0.9594 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4328 0.4891 -1.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3522 -0.0308 0.8406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8158 0.7358 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7716 1.8305 -1.1547 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6912 1.3105 1.0181 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4008 2.2412 0.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1025 -3.0657 -0.9028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2767 -1.4710 -1.6632 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0892 -1.8365 -1.4628 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1117 0.6195 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1525 -0.5748 -1.7784 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1932 1.8715 1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9507 0.1904 -2.2593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5848 -0.7424 1.6287 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5471 2.5550 -1.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1808 1.6306 1.9332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6649 3.2856 0.1586 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 5 1 0 0 0 0 2 7 1 0 0 0 0 3 6 2 0 0 0 0 4 6 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 7 12 2 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 9 11 2 0 0 0 0 9 21 1 0 0 0 0 10 14 2 0 0 0 0 10 22 1 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 16 2 0 0 0 0 13 25 1 0 0 0 0 15 17 2 0 0 0 0 15 26 1 0 0 0 0 16 17 1 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 M END $$$$