BZ89OB -OEChem-04022111223D 42 45 0 1 0 0 0 0 0999 V2000 4.6770 -0.3381 -0.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 -1.5017 -1.0888 N 0 0 1 0 0 0 0 0 0 0 0 0 2.6246 0.2292 0.8716 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9354 -0.2286 -0.4493 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6105 -0.0252 0.9513 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9512 1.1963 1.6380 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5759 -1.2736 1.8522 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2994 1.0433 -1.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6136 -0.2248 -0.3036 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5344 0.9233 1.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0709 -2.5009 1.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2957 -2.6674 -0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2480 0.2697 0.7830 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0388 2.4257 0.7603 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1864 2.3662 -0.5742 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7141 -1.4575 -1.7272 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4293 -0.7495 -1.3913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2677 3.6016 -1.4207 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7650 -0.7977 -1.3208 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4529 -0.2903 -0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6745 0.2086 0.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4800 1.4120 2.5748 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1956 -1.1065 2.7412 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5648 -1.4856 2.2145 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3441 1.0050 -1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6845 1.0709 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6237 0.2783 2.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0378 1.8643 2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9358 -3.3905 1.7315 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1459 -2.4147 0.9094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2401 -2.8590 0.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6359 -3.5735 -0.7132 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9509 3.3894 1.2555 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6923 -0.8302 -2.6241 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5011 -1.0976 -1.0570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0097 -2.4499 -2.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9373 -1.1027 -2.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0529 0.6062 1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4504 3.6165 -2.1489 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1989 4.5167 -0.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2181 3.6279 -1.9632 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3681 -1.1880 -2.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 2 0 0 0 0 2 4 1 0 0 0 0 2 12 1 0 0 0 0 2 16 1 0 0 0 0 3 13 1 0 0 0 0 3 20 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 21 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 22 1 0 0 0 0 7 11 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 15 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 2 0 0 0 0 9 17 1 0 0 0 0 10 13 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 18 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 42 1 0 0 0 0 M END $$$$