B5KQU2 -OEChem-04022103102D 29 31 0 0 0 0 0 0 0999 V2000 2.8660 0.6719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5234 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9674 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3211 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2781 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6318 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6103 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.3282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.1382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3815 0.1719 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7144 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8848 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2177 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 17 1 0 0 0 0 2 4 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 3 5 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 9 1 0 0 0 0 6 12 2 0 0 0 0 6 13 1 0 0 0 0 7 10 2 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 19 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 12 14 1 0 0 0 0 12 22 1 0 0 0 0 13 15 2 0 0 0 0 13 23 1 0 0 0 0 14 16 2 0 0 0 0 14 24 1 0 0 0 0 15 16 1 0 0 0 0 15 25 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 17 29 1 0 0 0 0 M END $$$$