MMs00406873 MOE2007 2D CORINA 3.40 0006 02.08.2006 68 71 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 0.7505 -1.2988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0010 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2505 -1.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2505 -1.2970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5010 -2.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 -2.5969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2515 -3.8951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7515 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5010 -2.5952 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.6563 -3.1748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7505 -1.2965 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.5000 0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7505 -1.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0010 -2.5946 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0016 -4.0946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3003 -3.3441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8984 -3.3431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1971 -2.5927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4965 -3.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7952 -2.5917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7946 -1.0917 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4953 -0.3422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1966 -1.0927 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0934 -0.3412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0928 1.1588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2505 -1.2959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0390 0.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6004 1.0390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 -0.6004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4495 -1.2988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -1.9985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5986 -3.6375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0405 -3.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3996 1.0401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0996 1.0412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4014 -3.6364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1240 -4.3060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4603 -5.0768 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5436 -5.0764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3154 -4.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3722 0.4129 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7079 1.1847 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7912 1.1851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1275 0.4143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6695 -0.5236 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6700 -2.0663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4016 -4.0949 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0020 -5.2946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2016 -4.0942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5293 -4.2637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 -4.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6701 -4.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1274 -4.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4969 -4.5422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.8347 -3.1913 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4949 0.8578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1571 -0.4930 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2510 -2.4959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8505 -1.2957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2500 -0.0959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5991 -2.5936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5986 -1.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3927 -1.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4317 -0.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 34 1 0 0 0 0 3 35 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 4 5 1 0 0 0 0 4 9 2 0 0 0 0 5 6 2 0 0 0 0 5 38 1 0 0 0 0 6 7 1 0 0 0 0 6 39 1 0 0 0 0 7 8 2 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 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 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 19 53 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 20 65 1 0 0 0 0 21 22 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 21 65 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 58 1 0 0 0 0 24 25 1 0 0 0 0 24 59 1 0 0 0 0 25 26 2 0 0 0 0 25 28 1 0 0 0 0 26 27 1 0 0 0 0 26 60 1 0 0 0 0 27 61 1 0 0 0 0 28 29 2 0 0 0 0 28 67 1 0 0 0 0 30 62 1 0 0 0 0 30 63 1 0 0 0 0 30 64 1 0 0 0 0 65 66 1 0 0 0 0 67 68 1 0 0 0 0 M END