BUE1N5 -OEChem-04022114443D 41 42 0 0 0 0 0 0 0999 V2000 -0.8619 -1.7079 1.2189 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5018 2.6718 0.6357 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2402 2.8068 -0.3854 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.4913 0.8744 -1.1096 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2013 -2.6310 -0.6279 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3819 1.5753 -0.5734 N 0 3 0 0 0 0 0 0 0 0 0 0 2.6443 -2.8217 -0.3229 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2489 -3.3056 0.0907 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8714 -1.3699 -0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7542 -1.2747 -0.9906 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8048 -0.4079 -0.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7815 -1.8772 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3945 -0.9485 1.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5600 -0.4330 -1.0547 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5933 0.9527 -0.1643 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9936 -1.0037 0.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6061 0.4097 1.3903 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7716 0.9251 -0.8175 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2947 1.3466 0.4049 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5857 1.7299 0.4329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9861 -0.2266 0.6521 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7822 1.1403 0.8410 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1620 3.5748 -0.4154 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4006 -3.4136 0.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8038 -3.0336 -1.3886 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1533 -4.3729 -0.1360 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1081 -3.1821 1.1701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2868 -2.1516 -1.3968 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2949 -0.8908 -1.9043 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1660 -2.7464 -1.6366 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6389 -1.6683 1.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1535 -0.7478 -2.0123 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1672 -2.0676 -0.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0132 0.7321 2.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5089 1.5984 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4654 2.7976 0.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9174 -0.6857 0.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5552 1.7450 1.3062 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0896 3.5488 -0.6371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7746 3.4033 -1.3071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3904 4.5850 -0.0602 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 23 1 0 0 0 0 3 6 1 0 0 0 0 4 6 2 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 5 30 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 31 1 0 0 0 0 14 18 2 0 0 0 0 14 32 1 0 0 0 0 15 20 2 0 0 0 0 16 21 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M CHG 2 3 -1 6 1 M END $$$$