MMs03084599 MOE2007 2D CORINA 3.40 0006 02.08.2006 88 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 1.5000 -0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2453 -1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2547 1.2909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7547 1.2854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5094 2.5926 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2641 3.8889 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.0641 3.8889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5188 5.1907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7264 6.4979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2264 6.5033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9811 5.2070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2359 3.9052 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 3.8998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7641 3.8835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5094 2.5817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5188 5.1798 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7735 6.4815 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.1735 7.5208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2735 6.4870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5283 7.7887 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0371 7.9509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7691 7.0621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2695 9.4193 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3640 9.9113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0323 10.1646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1620 11.3575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1433 9.1568 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.3180 9.4021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5282 7.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 9.0796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0282 7.7724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7735 6.4707 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3735 7.5099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0188 5.1744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7641 3.8726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0094 2.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7547 1.2746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2547 1.2691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0094 2.5654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2641 3.8672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2735 6.4652 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.4735 6.4652 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0282 7.7615 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6282 8.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5282 7.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2829 9.0524 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7829 9.0470 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.2829 9.0415 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.2829 9.0633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8867 10.1003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0188 5.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2188 5.1591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0044 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0044 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9000 -1.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2039 -1.9034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8415 -2.3486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2867 -0.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3094 2.5970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0834 5.3938 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4168 5.7819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4246 7.0164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8227 7.5447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1811 5.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8396 2.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 2.8584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1188 5.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3756 5.8957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7090 6.2838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6320 8.8095 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1024 5.9490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0968 4.4064 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3641 2.8334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0929 3.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0873 1.8083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6256 0.8682 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9588 0.0920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0420 0.0881 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3808 0.8546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9258 1.7907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9314 3.3334 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0600 5.0497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3932 4.2735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3155 6.5751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6543 7.3416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 55 1 0 0 0 0 1 56 1 0 0 0 0 1 57 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 58 1 0 0 0 0 3 59 1 0 0 0 0 3 60 1 0 0 0 0 3 61 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 62 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 16 1 0 0 0 0 9 10 1 0 0 0 0 9 63 1 0 0 0 0 9 64 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 11 65 1 0 0 0 0 12 13 1 0 0 0 0 12 66 1 0 0 0 0 13 14 2 0 0 0 0 13 67 1 0 0 0 0 14 15 1 0 0 0 0 14 68 1 0 0 0 0 15 69 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 70 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 31 1 0 0 0 0 21 22 1 0 0 0 0 21 71 1 0 0 0 0 21 72 1 0 0 0 0 22 23 2 0 0 0 0 22 29 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 33 34 1 0 0 0 0 33 73 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 34 43 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 38 1 0 0 0 0 37 42 1 0 0 0 0 37 76 1 0 0 0 0 38 39 1 0 0 0 0 38 77 1 0 0 0 0 38 78 1 0 0 0 0 39 40 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 40 41 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 42 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 42 85 1 0 0 0 0 42 86 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 53 1 0 0 0 0 45 46 1 0 0 0 0 45 47 1 0 0 0 0 45 51 1 0 0 0 0 47 48 1 0 0 0 0 47 87 1 0 0 0 0 47 88 1 0 0 0 0 48 49 2 0 0 0 0 49 50 2 0 0 0 0 51 52 1 0 0 0 0 53 54 1 0 0 0 0 M CHG 1 29 1 M CHG 1 49 1 M CHG 1 50 -1 M END