BC98PU -OEChem-04022106453D 33 35 0 1 0 0 0 0 0999 V2000 -4.5935 1.2036 -0.2855 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8518 0.6982 -1.6774 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6003 -0.2590 -0.3221 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5489 1.4248 0.5466 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7062 0.0977 0.6308 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2340 0.2443 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3288 -0.7687 0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0820 -1.3917 0.7801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7392 -2.1970 0.1242 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2523 -2.3245 -0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9626 -0.1762 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7952 1.1982 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 0.6914 -0.5723 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2624 -0.6735 -0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8664 2.0989 0.3231 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3419 0.2169 -0.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1446 1.5815 0.0955 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7358 -1.6649 -0.5182 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0315 0.6533 1.5192 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 -1.5410 0.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9150 -1.6951 1.8223 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1913 -2.6972 -0.6821 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4833 -2.7064 1.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4681 -2.0875 -1.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5603 -3.3643 0.0305 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9632 2.3308 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3563 -1.7425 -0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7146 3.1616 0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9935 2.2609 0.0758 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0243 1.5894 -1.0779 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8000 -1.8674 -0.6778 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2099 -1.9991 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4352 -2.2273 0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 30 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 18 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 19 1 0 0 0 0 6 7 2 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 9 10 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 12 2 0 0 0 0 11 14 1 0 0 0 0 12 15 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 17 2 0 0 0 0 15 28 1 0 0 0 0 16 17 1 0 0 0 0 17 29 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 M END $$$$