BR82NQ -OEChem-04022107223D 27 28 0 0 0 0 0 0 0999 V2000 0.6085 -1.5423 0.2297 S 0 0 0 0 0 0 0 0 0 0 0 0 0.4057 -2.2708 -1.0037 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7099 -2.1786 1.5250 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3655 2.1771 0.2176 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4602 -0.1944 0.3088 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3194 1.3038 0.4774 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9005 -0.4197 0.4952 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9851 -0.4943 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6236 0.8528 0.0214 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1756 1.0868 0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 -0.4834 -0.8564 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2905 -0.9173 -0.1167 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5870 1.8348 -0.1302 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1250 -0.6824 -0.7649 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2665 0.0682 -0.2700 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9186 1.4317 -0.2768 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 0.4278 -0.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0617 -1.3499 1.0517 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3011 0.3874 1.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3989 0.4364 -1.4183 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1887 -1.3052 -1.4489 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5564 -1.9679 -0.1113 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3302 2.8886 -0.1369 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3405 -1.6239 -0.2469 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5343 -0.7746 -1.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3085 -0.2184 -0.3857 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6967 2.1810 -0.3976 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 17 3 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 10 1 0 0 0 0 9 13 2 0 0 0 0 11 14 1 0 0 0 0 11 20 1 0 0 0 0 11 21 1 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 13 16 1 0 0 0 0 13 23 1 0 0 0 0 14 17 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 16 2 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 M END $$$$