MMs02621913 MOE2007 2D CORINA 3.40 0006 02.08.2006 69 73 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 -0.0147 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 -1.5147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2863 -2.2573 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9013 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9098 2.2279 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1876 -1.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4824 -2.2867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7856 -1.5441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4993 0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0974 0.6985 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2488 1.5471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.5512 -0.3694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5125 0.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9102 2.3123 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3102 3.3515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4175 2.1640 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4175 3.3640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4202 3.2843 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6675 3.6071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.1675 3.5986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9101 2.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4101 2.2868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1674 3.5816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4248 4.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9248 4.8934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1822 6.1966 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 11.6822 6.2051 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9395 7.4914 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3837 -1.5588 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3837 -2.7588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0804 -2.3014 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6784 -2.3161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6699 -3.8161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9647 -4.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2680 -3.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2765 -2.3308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9817 -1.5735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5627 -4.5881 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 15.5543 -6.0881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8660 -3.8455 0.0000 O 0 5 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 0.2971 -0.5213 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5371 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0798 1.6575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7725 -1.3130 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9936 -2.6446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9892 -1.7360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2437 -2.8514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8804 -3.2999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1450 -2.1235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4756 -3.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5061 1.9132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2124 -0.0362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5551 1.5327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3043 1.2595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0042 1.2442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.3674 3.5748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0307 5.9207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0736 -3.5014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6273 -4.4102 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9579 -5.7734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3191 -1.7367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9885 -0.3735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 1 48 1 0 0 0 0 2 3 1 0 0 0 0 2 49 1 0 0 0 0 2 50 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 51 1 0 0 0 0 4 52 1 0 0 0 0 5 53 1 0 0 0 0 5 54 1 0 0 0 0 5 55 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 13 2 0 0 0 0 9 10 2 0 0 0 0 9 56 1 0 0 0 0 10 11 1 0 0 0 0 10 57 1 0 0 0 0 11 12 2 0 0 0 0 11 36 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 13 58 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 21 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 24 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 61 1 0 0 0 0 27 28 1 0 0 0 0 27 62 1 0 0 0 0 28 29 2 0 0 0 0 28 63 1 0 0 0 0 29 30 1 0 0 0 0 29 64 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 36 65 1 0 0 0 0 37 38 1 0 0 0 0 37 42 2 0 0 0 0 38 39 2 0 0 0 0 38 66 1 0 0 0 0 39 40 1 0 0 0 0 39 67 1 0 0 0 0 40 41 2 0 0 0 0 40 43 1 0 0 0 0 41 42 1 0 0 0 0 41 68 1 0 0 0 0 42 69 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 M CHG 1 31 1 M CHG 1 33 -1 M CHG 1 43 1 M CHG 1 45 -1 M END