MMs01695756 MOE2007 2D CORINA 3.40 0006 02.08.2006 55 56 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 1.5000 0.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 1.3014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4973 2.5996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0027 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7486 1.3029 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7471 2.8029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7502 -0.1971 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 1.3045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9973 2.6043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4973 2.6059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2486 1.3076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 0.0062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2513 -1.2905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5027 -2.5903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7513 -1.2889 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 -2.5872 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.1027 -1.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7540 -3.8870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0027 -2.5856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7540 -3.8839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2540 -3.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0054 -5.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5054 -5.1790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2540 -3.8792 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5027 -2.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0027 -2.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0006 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 -0.0012 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0012 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2929 -1.1804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6281 -0.4077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6245 3.0112 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2877 3.7812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0039 3.7981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2027 2.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0021 1.9981 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3962 3.6429 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0962 3.6457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4486 1.3089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4011 -1.0336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3503 -0.2490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7142 -3.2881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1551 -4.9268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7939 -4.4859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7931 -1.4040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1299 -2.1740 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6268 -4.2955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9637 -5.0654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4065 -6.2204 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1065 -6.2176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.4540 -3.8779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1016 -1.5411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4016 -1.5439 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 6 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 5 38 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 39 1 0 0 0 0 11 12 1 0 0 0 0 11 40 1 0 0 0 0 12 13 2 0 0 0 0 12 41 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 22 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 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 51 1 0 0 0 0 25 26 1 0 0 0 0 25 52 1 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 M END