BBEK28 -OEChem-04022118463D 37 37 0 0 0 0 0 0 0999 V2000 3.7289 0.4790 1.8061 Br 0 0 0 0 0 0 0 0 0 0 0 0 1.7441 -2.5137 -1.1263 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4640 -1.1024 2.2558 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8971 1.7332 -1.0460 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 1.3924 -0.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1416 -1.8429 0.0508 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1682 0.1538 -0.2515 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4228 1.5769 0.8778 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0035 1.6137 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1232 0.2936 0.5008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5458 -3.1300 0.3217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5331 -0.9753 1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0325 1.1225 1.1683 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2742 2.1403 -0.8874 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9724 -3.0739 0.4224 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3465 1.1578 0.7012 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5881 2.1758 -1.3544 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 1.6845 -0.5602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5925 -4.0515 -2.0628 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7693 1.1662 -1.5241 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9637 2.4566 0.5156 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4329 1.6606 1.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9501 -3.5028 1.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8765 -3.8182 -0.4624 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2633 -1.5725 -0.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8134 0.7159 2.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5253 2.5238 -1.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2655 -2.3657 1.2050 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3783 -4.0513 0.7025 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 2.5884 -2.3396 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0913 -3.9295 -3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5440 -4.2933 -2.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0737 -4.8765 -1.5310 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8858 2.1307 -1.9336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1337 2.1312 -1.8860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5630 0.6865 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5050 0.5450 -2.3856 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 15 1 0 0 0 0 2 19 1 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 34 1 0 0 0 0 5 7 1 0 0 0 0 5 20 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 25 1 0 0 0 0 7 10 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 11 15 1 0 0 0 0 11 23 1 0 0 0 0 11 24 1 0 0 0 0 13 16 1 0 0 0 0 13 26 1 0 0 0 0 14 17 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 M END $$$$