BC5S8Z -OEChem-04022103013D 29 30 0 0 0 0 0 0 0999 V2000 -3.1196 1.3091 -0.1893 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0095 0.2516 -1.3535 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0723 0.3986 0.9598 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -0.5349 -0.1430 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3138 -0.2935 -0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9643 0.5517 -0.2466 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7834 1.0274 -0.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4801 1.8576 -0.3284 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5502 -1.8558 -0.0598 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1974 -1.3801 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8911 2.0950 -0.3080 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4142 0.3817 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3421 -2.9234 0.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -2.6860 0.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7156 1.5344 1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5050 0.2666 1.0972 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1628 2.7000 -0.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6129 -2.0859 -0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2750 -1.2339 -0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2593 3.1154 -0.3732 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0337 -3.9405 0.1056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4072 -3.5178 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5217 0.4881 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7912 1.6687 0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3086 2.4434 1.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5569 0.6813 1.7520 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7396 -0.7914 1.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8221 0.8332 1.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 0.6413 0.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 15 1 0 0 0 0 2 12 2 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 23 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 2 0 0 0 0 5 7 1 0 0 0 0 5 10 2 0 0 0 0 6 8 2 0 0 0 0 6 12 1 0 0 0 0 7 11 2 0 0 0 0 8 11 1 0 0 0 0 8 17 1 0 0 0 0 9 13 1 0 0 0 0 9 18 1 0 0 0 0 10 14 1 0 0 0 0 10 19 1 0 0 0 0 11 20 1 0 0 0 0 13 14 2 0 0 0 0 13 21 1 0 0 0 0 14 22 1 0 0 0 0 15 24 1 0 0 0 0 15 25 1 0 0 0 0 15 26 1 0 0 0 0 16 27 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 M END $$$$