MMs00029110 MOE2007 2D CORINA 3.40 0006 02.08.2006 64 69 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 1.3344 -0.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -2.1833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5949 0.1280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9293 -0.5571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1898 0.2560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1159 1.7542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7815 2.4393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 1.6262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3765 2.5673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9714 2.6953 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.9714 1.4953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0545 4.1930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5046 4.5767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3176 3.3162 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.9176 4.3555 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3701 2.1534 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.0595 0.9943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1832 0.8929 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6332 1.2767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7164 2.7744 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.7556 2.1744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9769 3.5875 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3756 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3231 4.2084 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5100 5.4689 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0600 5.0852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7594 1.5955 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2070 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5908 -0.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0385 -0.6399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1024 0.4175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7186 1.8676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2710 2.2603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5501 0.0248 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.0834 -1.3772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5815 -1.3033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9742 0.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7187 0.9652 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5481 1.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0675 0.5481 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5481 -1.0675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2098 -2.2424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4674 -3.3818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6069 -2.1241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9885 -1.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2574 -0.2921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7224 3.6378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4535 2.1743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5608 3.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1016 3.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8559 4.1338 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8704 5.3788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8173 0.0909 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8318 1.3358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7397 -1.0931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.3455 -1.7999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.5698 2.7135 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.9639 3.4203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4267 -2.3816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 25.0958 0.5710 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7109 1.8822 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.9857 0.9260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5266 1.0020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 40 1 0 0 0 0 1 41 1 0 0 0 0 1 42 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 43 1 0 0 0 0 3 44 1 0 0 0 0 3 45 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 46 1 0 0 0 0 6 7 1 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 10 1 0 0 0 0 8 9 1 0 0 0 0 8 48 1 0 0 0 0 9 49 1 0 0 0 0 10 50 1 0 0 0 0 10 51 1 0 0 0 0 10 62 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 11 62 1 0 0 0 0 13 14 1 0 0 0 0 13 52 1 0 0 0 0 13 53 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 54 1 0 0 0 0 20 55 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 27 1 0 0 0 0 24 25 2 0 0 0 0 24 28 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 34 2 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 32 1 0 0 0 0 31 57 1 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 34 1 0 0 0 0 33 58 1 0 0 0 0 34 59 1 0 0 0 0 35 36 1 0 0 0 0 35 39 1 0 0 0 0 36 37 2 0 0 0 0 36 60 1 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 61 1 0 0 0 0 62 63 1 0 0 0 0 62 64 1 0 0 0 0 M CHG 1 62 1 M END