BP3S8R -OEChem-04022113193D 35 37 0 0 0 0 0 0 0999 V2000 -2.9440 2.7254 0.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7144 -0.3801 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1232 -1.5870 -0.0105 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2495 1.9501 0.0196 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6684 2.1564 0.0139 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4164 0.1003 -0.0043 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8362 0.6637 0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1083 -0.2986 0.0111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7340 0.8402 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1783 -1.2872 -0.0148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 0.0812 -0.0183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7468 0.7916 -0.5800 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8624 -1.3075 0.6105 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2494 -0.7893 -1.0730 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8896 0.2241 1.0245 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1393 0.8730 -0.5718 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2549 -1.2260 0.6190 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8933 -0.1358 0.0277 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4395 -1.5169 -1.0849 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0796 -0.5036 1.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3546 -1.3740 -0.0420 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8864 -2.1031 -0.0182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2340 1.5454 -1.1677 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3951 -2.1646 1.0891 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5761 2.7067 -0.0608 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1577 2.2543 0.3503 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5547 -0.9033 -1.9013 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6857 0.8861 1.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6385 1.7074 -1.0559 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8423 -2.0107 1.0866 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9777 -0.0754 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6550 -2.1924 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7907 -0.3950 1.8265 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2811 -1.9405 -0.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7339 3.6744 0.0666 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 3 10 2 0 0 0 0 4 7 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 9 2 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 11 1 0 0 0 0 10 22 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 12 23 1 0 0 0 0 13 17 2 0 0 0 0 13 24 1 0 0 0 0 14 19 1 0 0 0 0 14 27 1 0 0 0 0 15 20 2 0 0 0 0 15 28 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 18 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 2 0 0 0 0 19 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 M END $$$$