MMs02505417 MOE2007 2D CORINA 3.40 0006 02.08.2006 84 85 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 0.7435 -1.3028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0129 -2.5980 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -0.6129 -1.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5129 -2.5906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7306 -3.9008 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.3306 -4.9400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2306 -3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9870 -2.6130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9741 -5.2110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4741 -5.2185 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8741 -6.2577 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2305 -3.9232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7305 -3.9307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4870 -2.6354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4741 -5.2334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2176 -6.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7176 -6.5287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4612 -7.8165 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2047 -9.1193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0259 -5.1961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5258 -5.1886 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2694 -3.8859 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2823 -6.4839 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -1.0823 -6.4839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5388 -7.7867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2952 -9.0820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7952 -9.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5517 -10.3698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8081 -11.6725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3082 -11.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5517 -10.3847 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7823 -6.4764 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 -5.1737 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7693 -3.8784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0258 -5.1662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7822 -6.4615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2822 -6.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7693 -3.8635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0129 -2.5682 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7564 -1.2654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2564 -1.2580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0128 -2.5533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2693 -3.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0422 0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6666 -0.5360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6589 -2.0787 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5069 -1.3906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7129 -2.5846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5189 -3.7906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3689 -6.2472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1050 -3.5072 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4448 -2.7425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9305 -3.9307 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5232 -3.2405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0921 -1.5991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4507 -2.0302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4318 -5.8282 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0689 -6.2756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5163 -4.6386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1625 -9.7141 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7995 -10.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2469 -8.5245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 -6.2383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6157 -7.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6234 -8.5626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3900 -8.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7516 -10.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4133 -12.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7133 -12.7222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3517 -10.3907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3874 -7.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6567 -6.8776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9965 -7.6422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2762 -5.2541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4822 -6.4481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2882 -7.6540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8129 -2.5742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1512 -0.2292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8512 -0.2158 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2128 -2.5473 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8745 -4.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 45 1 0 0 0 0 1 46 1 0 0 0 0 1 47 1 0 0 0 0 2 3 1 0 0 0 0 2 48 1 0 0 0 0 2 49 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 50 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 53 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 13 14 1 0 0 0 0 13 54 1 0 0 0 0 13 55 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 56 1 0 0 0 0 15 57 1 0 0 0 0 15 58 1 0 0 0 0 15 59 1 0 0 0 0 16 60 1 0 0 0 0 16 61 1 0 0 0 0 16 62 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 20 63 1 0 0 0 0 20 64 1 0 0 0 0 20 65 1 0 0 0 0 21 22 1 0 0 0 0 21 66 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 33 1 0 0 0 0 26 27 1 0 0 0 0 26 67 1 0 0 0 0 26 68 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 69 1 0 0 0 0 29 30 1 0 0 0 0 29 70 1 0 0 0 0 30 31 2 0 0 0 0 30 71 1 0 0 0 0 31 32 1 0 0 0 0 31 72 1 0 0 0 0 32 73 1 0 0 0 0 33 34 1 0 0 0 0 33 74 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 36 37 1 0 0 0 0 36 39 1 0 0 0 0 37 38 1 0 0 0 0 37 75 1 0 0 0 0 37 76 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 40 1 0 0 0 0 39 44 2 0 0 0 0 40 41 2 0 0 0 0 40 80 1 0 0 0 0 41 42 1 0 0 0 0 41 81 1 0 0 0 0 42 43 2 0 0 0 0 42 82 1 0 0 0 0 43 44 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 M END