BU9KN3 -OEChem-04012113363D 32 34 0 1 0 0 0 0 0999 V2000 -5.5510 0.0362 1.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2673 1.8023 0.9443 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6580 -0.1727 -0.3558 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9793 1.5049 -0.9936 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2365 -1.4726 0.9552 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4385 -0.4208 0.9874 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 1.6320 -0.1531 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5504 -0.9890 -0.2229 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7522 -0.2592 0.4069 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7616 -0.0195 -0.7316 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0853 -1.4637 -1.5377 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2901 -0.9511 -1.8055 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 -0.2929 -0.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8832 -0.4290 0.1898 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7657 0.9982 -1.0576 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6882 0.6230 -0.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 0.6509 0.7853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0118 0.6042 0.2109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5376 -1.3813 1.3066 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2881 -1.8530 0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4730 0.6803 0.8979 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1873 -0.9030 1.1834 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6699 1.0111 -1.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5560 -2.1400 -2.1941 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8413 -1.1505 -2.7137 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8838 -0.1766 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2866 -1.3252 0.0625 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0646 1.4382 -1.5929 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9135 -2.1861 1.9293 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8631 0.6268 2.3060 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8554 1.5965 0.1713 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5824 2.3986 -0.7316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 30 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 15 2 0 0 0 0 4 16 1 0 0 0 0 5 14 2 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 19 2 0 0 0 0 7 18 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 20 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 23 1 0 0 0 0 11 12 2 0 0 0 0 11 24 1 0 0 0 0 12 25 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 16 1 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 19 29 1 0 0 0 0 M END $$$$