MMs01508676 MOE2007 2D CORINA 3.40 0006 02.08.2006 45 47 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 0.0078 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2873 2.2567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5902 1.5135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3029 -0.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8853 2.2703 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8775 3.7702 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1883 1.5270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 2.2838 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7863 1.5406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0406 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0814 2.2973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0736 3.7973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3687 4.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6717 3.8108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6795 2.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3844 1.5541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3922 0.0541 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6951 -0.6891 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -12.4383 0.6138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9519 -1.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9980 -1.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0058 -2.9323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3088 -3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.6039 -2.9188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5961 -1.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2931 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9068 -3.6620 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0361 -0.6054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0502 2.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2811 3.4567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6404 -0.5811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3092 -1.9432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4217 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9644 0.6118 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0313 4.3919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3625 5.7540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7077 4.4162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7218 1.7163 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3561 -0.5513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9697 -3.5377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3150 -4.8755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6321 -0.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.2869 0.5244 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 32 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 33 1 0 0 0 0 6 34 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 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 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 18 2 0 0 0 0 14 15 2 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 15 38 1 0 0 0 0 16 17 2 0 0 0 0 16 39 1 0 0 0 0 17 18 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 19 20 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 28 2 0 0 0 0 24 25 2 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 25 43 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 44 1 0 0 0 0 28 45 1 0 0 0 0 M END