BKRB80 -OEChem-04022105533D 29 31 0 1 0 0 0 0 0999 V2000 1.1258 -0.0454 -2.2580 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3569 -3.5169 0.1656 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4923 3.1644 0.7186 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7019 2.2107 0.2058 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4139 -1.2054 0.4359 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2801 1.1836 0.9960 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5882 -2.3691 -0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9380 1.7612 -1.0516 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7718 0.1013 0.1703 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.7389 0.0370 0.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2755 0.5658 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3608 -1.2028 0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7769 -2.4266 0.1688 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5458 1.1852 0.2295 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9665 2.1565 0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7656 -1.2244 0.9988 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7525 -1.3045 -0.0899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9363 1.0868 0.1439 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5391 -0.1574 -0.0176 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1547 1.2284 2.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0969 2.1707 0.3283 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0760 -3.2461 -0.2158 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3675 2.2779 -1.8105 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7436 -0.7753 1.9957 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4352 -0.6579 0.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1480 -2.2441 1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2320 -2.2717 -0.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6195 -0.2470 -0.0911 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6382 1.9591 0.1277 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 2 0 0 0 0 2 13 2 0 0 0 0 3 15 2 0 0 0 0 4 18 1 0 0 0 0 4 29 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 6 9 1 0 0 0 0 6 15 1 0 0 0 0 6 20 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 8 11 1 0 0 0 0 8 15 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 16 26 1 0 0 0 0 17 19 2 0 0 0 0 17 27 1 0 0 0 0 18 19 1 0 0 0 0 19 28 1 0 0 0 0 M END $$$$