MMs01509627 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 44 0 0 0 0 0 0 0 0999 V2000 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3033 0.7427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 0.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6150 2.9853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3117 2.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0169 3.0000 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 0.7133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 2.2133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0974 0.6986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 0.6840 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.8606 2.1748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7516 3.1848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3296 2.4784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0869 3.7732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5869 3.7647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3295 2.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5722 1.1667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0722 1.1751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0622 0.0661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3658 -1.4028 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5913 -1.2147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9524 2.8221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6218 4.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1893 -1.2293 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0176 -0.9589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5602 -0.9676 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3312 1.6222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8739 1.6135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6156 -0.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1583 -0.9823 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4928 4.8158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1927 4.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5295 2.4547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1663 0.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 5 6 2 0 0 0 0 5 30 1 0 0 0 0 6 7 1 0 0 0 0 6 31 1 0 0 0 0 7 8 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 16 1 0 0 0 0 15 24 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 M END