B3NL8K -OEChem-04042106003D 20 20 0 1 0 0 0 0 0999 V2000 3.9046 -0.5597 0.1734 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1884 -1.3259 -1.2325 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2843 -0.6720 0.6347 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9882 1.6752 0.8854 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5408 0.7812 -0.1971 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.0960 0.4255 -0.0988 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8679 1.2609 -0.6631 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2914 -0.7427 0.5578 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4355 -0.4547 -0.2244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2193 0.9280 -0.5709 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6429 -1.0756 0.6500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -0.2401 0.0856 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7346 1.2984 -1.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5794 2.1744 -1.1762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4291 -1.4054 1.0285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9703 1.5782 -1.0101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9456 -1.9824 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4322 2.5295 0.8744 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8197 1.2331 1.7885 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7707 -2.1140 -1.1868 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 9 1 0 0 0 0 2 20 1 0 0 0 0 3 9 2 0 0 0 0 4 5 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 6 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 14 1 0 0 0 0 8 11 2 0 0 0 0 8 15 1 0 0 0 0 10 12 2 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 M END $$$$