BUB3N5 -OEChem-04022109552D 44 46 0 0 0 0 0 0 0999 V2000 4.4258 1.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9088 -0.1917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4820 -0.8414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9544 0.1067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9820 1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3585 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9820 1.3492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5810 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6054 0.5674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3829 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3680 0.8898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5990 0.1872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6560 -0.8477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2529 1.0612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 0.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8284 -1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8307 -0.8283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5960 0.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1355 -1.1277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3650 0.1871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1332 -0.8284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1199 1.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4234 1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5406 1.6182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8440 1.9537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2370 1.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0445 -0.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4819 -1.4614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 0.9969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 0.5902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8150 -0.1866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0642 -0.6627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4710 -1.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2477 -1.0327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8446 0.8761 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4379 1.6529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6611 1.2462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9734 -1.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3779 -1.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7269 1.4957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9905 -1.7305 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9567 0.3722 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5860 -1.2518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 4 1 0 0 0 0 2 16 1 0 0 0 0 2 28 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 29 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 8 2 0 0 0 0 6 11 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 19 2 0 0 0 0 10 20 2 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 16 1 0 0 0 0 12 18 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 21 1 0 0 0 0 19 41 1 0 0 0 0 20 22 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 44 1 0 0 0 0 M END $$$$