MMs01830709 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 46 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 -1.3036 0.7420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 2.2420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0183 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 2.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2944 0.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 0.7738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 2.2738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0318 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4905 0.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4813 2.2897 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0885 0.8056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6865 0.8215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6774 2.3214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3738 3.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0793 2.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9718 3.0794 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.7297 1.7849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2139 4.3738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2662 3.8373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5698 3.0953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7357 1.6045 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.2048 1.3016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9469 2.6052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9364 3.7137 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.6164 2.9841 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0073 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 0.1357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0257 4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3208 2.8642 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8323 -0.9081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3750 -0.8986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2034 -1.1682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8014 -1.1523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3994 -1.1364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7294 0.2278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3664 4.2635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0365 2.8992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2589 5.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6996 0.2083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1395 2.7379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 30 1 0 0 0 0 2 3 2 0 0 0 0 2 31 1 0 0 0 0 3 4 1 0 0 0 0 3 29 1 0 0 0 0 4 5 2 0 0 0 0 4 32 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 36 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 37 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 38 1 0 0 0 0 16 17 1 0 0 0 0 16 39 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 24 1 0 0 0 0 23 42 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 43 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 M END