MMs02506882 MOE2007 2D CORINA 3.40 0006 02.08.2006 89 90 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 1.3021 -0.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3081 -2.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0105 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6373 0.6105 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -0.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9062 -2.2342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6102 -2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2082 -2.9790 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.2475 -3.5790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2143 -4.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9183 -5.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6163 -4.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3203 -5.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3263 -6.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6284 -7.4894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9244 -6.7342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5042 -2.2237 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4982 -0.7237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8063 -2.9684 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8124 -4.4684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1023 -2.2132 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.1415 -1.6132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 -0.7132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4044 -2.9579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4104 -4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7004 -2.2027 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0024 -2.9474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2984 -2.1922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6005 -2.9369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8965 -2.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8904 -0.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5883 0.0631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2923 -0.6922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5920 1.5105 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2899 2.2552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0061 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2839 3.7552 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0182 4.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7629 3.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3203 5.2447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7265 5.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5958 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0416 0.5958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5958 -1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2628 -1.3447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1081 -2.2496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3106 -2.8447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5081 -2.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0060 -1.9527 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0918 -3.2916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2144 -4.0263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8048 -4.3724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6293 -5.6049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6138 -3.8895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2786 -4.6489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2895 -7.3489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6333 -8.6894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9660 -7.3300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2124 -4.4709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8172 -5.6684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0124 -4.4636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0962 0.4868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3900 1.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7525 0.6273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1984 -1.0101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9964 -0.9947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4290 0.6462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7880 1.0788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2348 -3.8698 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7775 -3.8635 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6053 -4.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9381 -2.7774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9272 -0.0775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5835 1.2631 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2507 -0.0964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6288 2.1147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2838 3.4958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3587 2.1563 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2787 2.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0224 5.7655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3619 5.8405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6182 4.7239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7682 5.2062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3223 6.8437 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2057 6.0999 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 4 1 0 0 0 0 2 49 1 0 0 0 0 3 50 1 0 0 0 0 3 51 1 0 0 0 0 3 52 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 38 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 10 1 0 0 0 0 9 53 1 0 0 0 0 9 54 1 0 0 0 0 9 55 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 12 13 1 0 0 0 0 12 56 1 0 0 0 0 12 57 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 58 1 0 0 0 0 15 16 1 0 0 0 0 15 59 1 0 0 0 0 16 17 2 0 0 0 0 16 60 1 0 0 0 0 17 18 1 0 0 0 0 17 61 1 0 0 0 0 18 62 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 63 1 0 0 0 0 22 64 1 0 0 0 0 22 65 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 28 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 66 1 0 0 0 0 26 67 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 27 72 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 31 73 1 0 0 0 0 31 74 1 0 0 0 0 32 33 1 0 0 0 0 32 37 2 0 0 0 0 33 34 2 0 0 0 0 33 75 1 0 0 0 0 34 35 1 0 0 0 0 34 76 1 0 0 0 0 35 36 2 0 0 0 0 35 77 1 0 0 0 0 36 37 1 0 0 0 0 36 78 1 0 0 0 0 37 79 1 0 0 0 0 38 39 1 0 0 0 0 38 80 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 42 44 1 0 0 0 0 42 45 1 0 0 0 0 43 81 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 45 87 1 0 0 0 0 45 88 1 0 0 0 0 45 89 1 0 0 0 0 M END