MMs01795645 MOE2007 2D CORINA 3.40 0006 02.08.2006 59 61 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 0.0015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2513 -1.2967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7513 -1.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5027 -2.5935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7540 -3.8933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5053 -5.1915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7566 -6.4914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0053 -5.1900 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7540 -3.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0027 -2.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7513 -1.2921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2513 -1.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0027 -2.5889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2540 -3.8887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0053 -5.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5027 -2.5873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2513 -1.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 0.0107 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7513 -1.2860 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1513 -2.3252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5026 -2.5843 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0138 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 0.0153 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0015 -1.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9985 1.5153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2487 1.3167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7487 1.3182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 0.0199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7513 -1.2799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2513 -1.2814 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0000 0.0215 0.0000 C 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 -1.2000 -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 1.2904 1.1831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6272 0.4131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1241 -1.7083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4609 -2.4783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5417 -0.1136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8785 -0.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5540 -3.8945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1503 -0.2535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8503 -0.2508 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9667 -5.7880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6064 -6.2256 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0439 -4.5859 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4640 -3.1853 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1037 -3.6229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5413 -1.9832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8989 1.0524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6476 2.3553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3476 2.3580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3524 -2.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6524 -2.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0012 -1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2000 0.0227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.9988 1.2215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 37 1 0 0 0 0 2 38 1 0 0 0 0 3 4 1 0 0 0 0 3 39 1 0 0 0 0 3 40 1 0 0 0 0 4 5 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 2 0 0 0 0 5 11 1 0 0 0 0 6 7 1 0 0 0 0 6 43 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 44 1 0 0 0 0 13 14 2 0 0 0 0 13 45 1 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 23 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 53 1 0 0 0 0 29 30 1 0 0 0 0 29 54 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 33 59 1 0 0 0 0 M END