MMs01127774 MOE2007 2D CORINA 3.40 0006 02.08.2006 48 50 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 1.2975 0.7526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8956 0.7577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8926 2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5921 3.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2946 2.2526 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1902 3.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1872 4.5103 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4907 2.2629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4937 0.7629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 0.0154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0918 0.7680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0888 2.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7883 3.0154 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.8275 3.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7853 4.5154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 0.0206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3953 -1.4794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -2.2268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9933 -1.4742 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 0.0257 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 0.7732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2879 0.7783 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 0.0309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8860 0.7835 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8830 2.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6988 -3.7268 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.6021 1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -0.6021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6021 -1.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6004 -1.1948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9360 0.1598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5897 4.2051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2542 2.8505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 0.9689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0855 -0.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0247 -0.9053 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5674 -0.9023 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2710 2.0620 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4970 3.3965 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9853 4.5178 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7829 5.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5853 4.5131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3572 -2.0815 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8189 -0.8899 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3616 -0.8868 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 0.0360 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 7 2 0 0 0 0 3 4 2 0 0 0 0 3 32 1 0 0 0 0 4 5 1 0 0 0 0 4 33 1 0 0 0 0 5 6 2 0 0 0 0 5 8 1 0 0 0 0 6 7 1 0 0 0 0 6 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 12 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 0 0 0 0 14 15 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 45 1 0 0 0 0 20 21 1 0 0 0 0 20 28 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 27 2 0 0 0 0 26 48 1 0 0 0 0 M CHG 1 48 -1 M END