MMs03918885 MOE2007 2D CORINA 3.40 0006 02.08.2006 81 82 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 1.2991 -0.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2992 -2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0002 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6373 0.6002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8972 -0.7497 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8973 -2.2497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 0.0004 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4953 -0.7495 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5345 -1.3495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 -2.2495 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 1.5006 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0933 -0.7493 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3923 -1.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 1.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6912 2.2509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6910 3.7509 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6914 -0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6915 -2.2491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0011 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2895 -0.7488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2896 -2.2488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5887 -2.9987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8877 -2.2486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8876 -0.7486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5885 0.0013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1868 -2.9985 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 18.1869 -4.4985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4858 -2.2484 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.5980 1.5002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2989 2.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2987 3.7501 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.2987 4.9501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5977 4.5002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5976 6.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2985 6.7501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2984 8.2501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5973 9.0002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8964 8.2503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8966 6.7503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5972 10.5002 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0004 4.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2993 3.7499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5984 4.4998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2992 2.2499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5999 1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0393 0.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5999 -1.0393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2599 -1.3499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0992 -2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2993 -3.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 -2.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 1.2004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2954 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4955 -3.4495 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6954 -2.2494 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0934 -1.9493 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2104 1.2924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9817 2.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 0.6011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2504 -2.8489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5888 -4.1987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9267 -0.1486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 1.2013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6371 2.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0082 3.3726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7795 4.7087 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2593 6.1500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2591 8.8500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9356 8.8504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9358 6.1504 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 11.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 5.7000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4992 2.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2991 1.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0992 2.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 1.5011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0294 2.1011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 49 1 0 0 0 0 1 50 1 0 0 0 0 1 51 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 52 1 0 0 0 0 3 53 1 0 0 0 0 3 54 1 0 0 0 0 3 55 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 32 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 8 56 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 11 57 1 0 0 0 0 11 58 1 0 0 0 0 11 59 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 60 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 20 1 0 0 0 0 17 18 1 0 0 0 0 17 61 1 0 0 0 0 17 62 1 0 0 0 0 18 19 2 0 0 0 0 18 80 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 63 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 24 25 2 0 0 0 0 24 64 1 0 0 0 0 25 26 1 0 0 0 0 25 65 1 0 0 0 0 26 27 2 0 0 0 0 26 29 1 0 0 0 0 27 28 1 0 0 0 0 27 66 1 0 0 0 0 28 67 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 32 33 1 0 0 0 0 32 68 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 1 0 0 0 0 35 45 1 0 0 0 0 37 38 1 0 0 0 0 37 69 1 0 0 0 0 37 70 1 0 0 0 0 38 39 1 0 0 0 0 38 43 2 0 0 0 0 39 40 2 0 0 0 0 39 71 1 0 0 0 0 40 41 1 0 0 0 0 40 72 1 0 0 0 0 41 42 2 0 0 0 0 41 44 1 0 0 0 0 42 43 1 0 0 0 0 42 73 1 0 0 0 0 43 74 1 0 0 0 0 44 75 1 0 0 0 0 45 46 1 0 0 0 0 45 76 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 77 1 0 0 0 0 48 78 1 0 0 0 0 48 79 1 0 0 0 0 80 81 1 0 0 0 0 M CHG 1 29 1 M CHG 1 31 -1 M END