BBGR98 -OEChem-04022118413D 42 44 0 0 0 0 0 0 0999 V2000 -5.3180 -1.6963 1.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2217 2.3306 0.8895 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4473 -2.9829 -0.1656 O 0 5 0 0 0 0 0 0 0 0 0 0 0.4885 -2.1149 -2.1815 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8208 2.0971 -1.4753 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8755 -0.0335 -0.2300 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7013 0.2163 -0.0079 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7535 -2.0616 -0.9579 N 0 3 0 0 0 0 0 0 0 0 0 0 3.5037 0.2020 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7146 0.1930 0.0121 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4258 -0.9143 -0.4502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8203 -0.9098 -0.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9501 0.2069 0.1049 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7925 1.3094 0.5346 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 1.3049 0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9556 0.9056 0.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5381 1.2406 0.4146 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6704 0.6875 -0.9887 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6241 -0.2686 1.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 -0.2421 0.9125 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6684 1.7101 -0.5569 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8027 -0.5985 0.7928 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0650 0.6925 -0.9576 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0186 -0.2636 1.2608 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1009 1.4137 -0.7636 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6916 0.2174 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7391 0.2169 0.1671 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 -2.8585 0.6418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3740 -1.7751 -0.7811 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3111 2.1836 0.9217 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9261 2.2007 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1439 -0.6182 -0.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1606 1.0618 -1.8734 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0780 -0.6467 2.0907 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8557 -0.8285 1.5458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2499 2.5714 -1.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 1.0666 -1.8090 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5437 -0.6338 2.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8249 0.2207 0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6400 -3.6964 1.1916 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1507 -3.0992 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7476 -2.7500 -0.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 1 28 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 4 8 2 0 0 0 0 5 25 2 0 0 0 0 6 26 2 0 0 0 0 7 10 1 0 0 0 0 7 17 1 0 0 0 0 7 32 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 12 29 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 18 23 1 0 0 0 0 18 33 1 0 0 0 0 19 24 2 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 25 1 0 0 0 0 21 36 1 0 0 0 0 22 26 1 0 0 0 0 23 27 2 0 0 0 0 23 37 1 0 0 0 0 24 27 1 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 M CHG 2 3 -1 8 1 M END $$$$