MMs01960099 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 0 0 1 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 1.3024 0.7441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0118 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5912 -1.5118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9005 0.7323 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9005 -0.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9073 2.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6117 2.9882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4985 0.7205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5053 2.2205 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0353 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0966 0.7088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1034 2.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4058 2.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7014 2.1970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6946 0.6970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1403 -1.5514 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6061 -1.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3502 -3.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8502 -3.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6060 -1.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8619 -0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3619 -0.5743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3633 0.5450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5953 1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0419 -0.5953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5953 -1.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5353 1.6668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0779 1.6598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3913 -1.5063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5858 -2.7118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7912 -1.5172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1907 -1.2236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7887 -1.2353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0669 2.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4112 4.1528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7434 2.7922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3868 -1.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7455 -4.2088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4454 -4.2211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.8060 -1.8890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4666 0.4554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2097 2.9764 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2151 4.1764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 34 1 0 0 0 0 5 35 1 0 0 0 0 5 36 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 10 1 0 0 0 0 8 9 2 0 0 0 0 8 47 1 0 0 0 0 10 11 1 0 0 0 0 10 37 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 39 1 0 0 0 0 16 17 1 0 0 0 0 16 40 1 0 0 0 0 17 18 2 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 42 1 0 0 0 0 20 21 2 0 0 0 0 20 28 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 25 1 0 0 0 0 24 44 1 0 0 0 0 25 26 2 0 0 0 0 25 45 1 0 0 0 0 26 27 1 0 0 0 0 26 46 1 0 0 0 0 27 28 1 0 0 0 0 47 48 1 0 0 0 0 M END