MMs01094753 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 42 0 0 0 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 1.3033 0.7425 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0150 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 1.2797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8405 -1.3097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8927 -0.7725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8840 -2.2725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1787 -3.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4821 -2.2875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 -0.7875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0450 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5366 -1.3484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0516 1.2583 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0974 0.6975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1061 2.1974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4095 2.9399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7041 2.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6955 0.6824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 -0.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0751 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.2327 -1.3697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7477 1.2196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2848 -0.8325 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 -0.0901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5940 1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0427 -0.5940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5940 -1.0427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3103 1.9425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8414 -2.8665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1718 -4.2300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5178 -2.8935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2030 1.1700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0704 2.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4164 4.1399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7468 2.7764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3852 -1.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2779 -2.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.1822 -1.1327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6309 0.5039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9942 0.9526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 3 4 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 9 10 2 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 17 2 0 0 0 0 16 34 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 36 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 23 2 0 0 0 0 21 24 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 M END