MMs03101891 MOE2007 2D CORINA 3.40 0006 02.08.2006 40 41 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 1.2967 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8948 -0.7619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4929 -0.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4883 -2.2698 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0238 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0909 -0.7777 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0909 0.4223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5410 -0.3939 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5410 0.8061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9248 -1.8440 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4747 -2.2278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7208 -3.5245 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4225 -1.9270 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.8225 -2.9663 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9643 -0.5283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8015 0.4192 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.9714 0.5833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4187 -0.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2356 -3.1875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5506 -4.5220 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6032 1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0374 0.6032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6032 -1.0374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5226 -1.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0653 -1.6756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 1.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8912 -1.9619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4276 0.9058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 0.9011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7979 1.1762 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8607 -0.2223 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7771 1.4727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0821 1.3890 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1248 -2.0591 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5821 -1.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7125 0.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7338 -3.1136 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 24 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 2 3 1 0 0 0 0 2 27 1 0 0 0 0 2 28 1 0 0 0 0 3 4 2 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 30 1 0 0 0 0 5 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 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 33 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 19 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 2 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 23 2 0 0 0 0 22 40 1 0 0 0 0 M CHG 1 40 -1 M END