BD04NQ -OEChem-04022106173D 22 22 0 1 0 0 0 0 0999 V2000 -2.1865 0.2805 -0.0891 P 0 0 0 0 0 0 0 0 0 0 0 0 1.5835 1.7272 0.4037 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4462 0.4565 0.0700 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4050 0.8637 1.3972 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6259 -0.3302 -0.4793 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5882 1.2229 -1.0782 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0564 -0.5960 -1.6591 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1338 -0.7785 0.7260 C 0 0 2 0 0 0 0 0 0 0 0 0 1.2685 -0.4936 -0.2138 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2843 -1.7368 0.6263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1974 -1.1933 0.2052 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2304 0.5778 0.0911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0572 -0.2150 1.6486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9662 -1.7879 1.4677 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1221 -2.6926 0.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7013 -1.8178 0.9510 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1330 -1.7816 -0.7159 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9369 -0.7711 -2.1416 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6916 0.2795 -2.0320 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2080 2.4544 0.6118 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9024 1.7010 1.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3546 0.2811 -0.7185 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 6 2 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 20 1 0 0 0 0 3 12 2 0 0 0 0 4 21 1 0 0 0 0 5 22 1 0 0 0 0 7 9 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 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 M END $$$$