BU25IB -OEChem-04022112383D 28 28 0 1 0 0 0 0 0999 V2000 0.3245 2.6458 -0.2499 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1181 -2.3307 -0.4360 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3555 -0.8509 -0.4114 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0439 1.1393 0.0180 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.0401 -0.9398 0.4065 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2373 0.3286 0.2018 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6340 0.5884 -0.3393 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4663 -0.1444 0.5585 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6678 -0.3312 0.3119 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7060 1.4910 -0.0757 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6728 -1.2151 -0.1780 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0734 -0.0396 -0.2108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 -0.3414 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2563 0.1757 1.2881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 1.6243 -0.1356 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6546 0.4665 -1.4299 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1882 -0.1741 1.6185 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4116 -1.3791 0.1123 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6447 -0.1960 1.4008 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2530 -1.5402 -0.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7339 1.8770 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3521 0.9972 0.0073 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1063 -0.1727 -1.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2612 -0.3320 -0.6510 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2823 -1.2991 0.8307 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5181 0.4566 0.9118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9776 -0.6991 0.0872 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0389 -0.8047 1.4168 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 11 1 0 0 0 0 3 20 1 0 0 0 0 4 8 1 0 0 0 0 4 10 1 0 0 0 0 4 21 1 0 0 0 0 5 12 1 0 0 0 0 5 27 1 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 9 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 0 0 0 0 8 17 1 0 0 0 0 9 12 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 M END $$$$