MMs01811213 MOE2007 2D CORINA 3.40 0006 02.08.2006 65 67 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 1.3033 0.7426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 0.7278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1875 -1.5296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4823 -2.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4737 -3.7869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7856 -1.5443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4994 0.7130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5079 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8112 2.9556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1059 2.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0974 0.6982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4092 2.9408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7040 2.1834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6954 0.6834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0072 2.9260 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9680 3.5260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3020 2.1686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2935 0.6687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5797 -1.5887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0158 4.4260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3191 5.1686 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0617 3.8653 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5765 6.4719 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6224 5.9112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6309 7.4112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9342 8.1537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2289 7.3964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2204 5.8964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9171 5.1538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5322 8.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8197 4.4556 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5941 1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0426 -0.5941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5941 -1.0426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5372 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0799 1.6574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8215 -0.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3641 -0.9384 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1352 1.6514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6779 1.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1449 -2.1236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4721 2.8189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1332 0.0923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7188 3.2939 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4826 1.9535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1129 0.8838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8766 -0.4566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0050 1.0365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7688 -0.3038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3797 -1.5819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5728 -2.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7796 -1.5955 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9800 5.0319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5951 8.0171 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9410 9.3537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2562 5.2905 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9103 3.9538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.1263 7.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5748 8.7330 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9381 9.1816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 1 39 1 0 0 0 0 2 3 1 0 0 0 0 2 40 1 0 0 0 0 2 41 1 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 3 43 1 0 0 0 0 4 5 1 0 0 0 0 4 44 1 0 0 0 0 4 45 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 46 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 47 1 0 0 0 0 13 14 2 0 0 0 0 13 36 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 49 1 0 0 0 0 21 50 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 26 1 0 0 0 0 25 58 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 59 1 0 0 0 0 31 32 1 0 0 0 0 31 60 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 34 62 1 0 0 0 0 35 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 M END