MMs01065698 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.7463 -1.3011 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.4537 -1.3011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2463 -1.3054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0085 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0127 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.5042 1.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4958 -1.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7536 1.2800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2536 1.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2463 -1.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7463 -1.3181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3851 1.1814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8103 0.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8061 -0.7861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3782 -1.2456 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0073 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5073 -2.5938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2610 -3.8908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5146 -5.1919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0146 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7390 -3.8992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5971 1.0409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0409 -0.5971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0346 -2.4866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 -1.7190 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4029 1.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1566 2.3209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8566 2.3133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8434 -2.3632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1434 -2.3556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0175 2.3238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7831 1.4165 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7749 -1.4942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1044 -1.5529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4610 -3.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1176 -6.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -6.2370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9390 -3.9026 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 4 1 0 0 0 0 2 20 1 0 0 0 0 4 5 1 0 0 0 0 4 29 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 6 7 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 14 1 0 0 0 0 13 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 20 21 1 0 0 0 0 20 25 2 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 41 1 0 0 0 0 24 25 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END