BD29QU -OEChem-04022107273D 30 31 0 0 0 0 0 0 0999 V2000 0.0414 2.1698 -0.1291 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5684 3.2842 0.5871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4984 2.3803 -1.4973 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 1.5674 0.8268 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0946 0.8442 -0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0670 0.7690 0.8805 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0300 -0.1397 -1.1035 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9101 -1.2739 -0.0954 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8959 0.2850 0.4849 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9747 -0.2902 0.8912 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9378 -1.1987 -1.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4530 0.0904 -0.7734 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8687 -0.7457 1.4169 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8809 -2.4062 -0.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9905 -1.1534 -1.1047 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4063 -1.9893 1.0855 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9673 -2.1931 -0.1753 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2833 1.7558 1.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1319 1.5195 1.6631 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2895 -0.0989 -1.8967 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7277 -0.3379 1.6734 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8797 -1.9572 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5114 0.8905 -1.5040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4322 -0.5973 2.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4337 -3.3138 -0.5042 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1958 -2.6472 0.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7667 -2.1471 -0.6729 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4333 -1.3104 -2.0839 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3878 -2.7992 1.8089 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3871 -3.1611 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 4 9 1 0 0 0 0 4 18 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 7 11 2 0 0 0 0 7 20 1 0 0 0 0 8 10 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 21 1 0 0 0 0 11 22 1 0 0 0 0 12 15 1 0 0 0 0 12 23 1 0 0 0 0 13 16 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 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 16 29 1 0 0 0 0 17 30 1 0 0 0 0 M END $$$$