BL9GR5 -OEChem-04022109253D 25 25 0 0 0 0 0 0 0999 V2000 -2.8362 -0.8138 0.1778 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0376 0.2186 0.2008 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5281 1.4376 -0.9161 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.9820 1.2622 1.2096 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.9276 1.5915 0.5623 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0821 -1.3829 -0.3010 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2662 -1.2416 1.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7035 -1.0454 0.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5757 1.1065 -0.8207 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6739 -0.9106 -1.0880 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8767 1.0948 1.6589 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3066 -0.6398 -0.7790 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 -0.1114 -0.1758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2987 0.5235 -1.2542 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4240 -1.5389 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6348 0.7876 -0.9527 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7600 -1.2746 0.2995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0736 0.9366 0.2577 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9805 -0.5266 -1.9921 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2618 1.2324 -1.8583 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0299 -2.4553 0.3658 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 1.7029 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3088 -1.9869 0.9091 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1693 0.6319 2.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0805 2.1015 1.6351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 7 2 0 0 0 0 1 10 1 0 0 0 0 1 18 1 0 0 0 0 2 8 2 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 2 13 1 0 0 0 0 3 18 1 0 0 0 0 4 18 1 0 0 0 0 5 18 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 2 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 1 0 0 0 0 M END $$$$