MMs00979672 MOE2007 2D CORINA 3.40 0006 02.08.2006 51 54 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 1.2972 -0.7532 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2580 -1.3532 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 -2.2532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5907 -3.0064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8916 -2.2595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8953 -0.7595 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8953 0.4405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0064 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 0.5936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6017 1.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0127 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4933 -0.7659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4897 -2.2659 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1630 -0.6325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1694 0.4797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6374 0.7880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7979 2.2794 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4291 2.8928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4226 1.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 1.4723 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.1208 4.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7497 -0.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4342 -1.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5465 -2.6913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9742 -2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2897 -0.7648 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1774 0.2416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0865 -3.2377 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.6025 1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0378 0.6025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 -1.0378 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1123 -2.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8803 -3.3798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8171 -3.9237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3598 -3.9275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2993 -3.3882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0739 -2.0540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8017 1.4907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6047 2.6936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4017 1.4966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1991 1.1873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4096 -1.8069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2952 4.6074 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8742 5.5352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9464 4.1142 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2921 -2.0529 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2941 -3.8645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4318 -0.3968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4298 1.4148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 9 1 0 0 0 0 4 5 1 0 0 0 0 4 34 1 0 0 0 0 4 35 1 0 0 0 0 5 6 1 0 0 0 0 5 36 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 21 2 0 0 0 0 18 19 2 0 0 0 0 18 24 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 21 22 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 24 25 1 0 0 0 0 24 29 2 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 26 49 1 0 0 0 0 27 28 2 0 0 0 0 27 30 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 M END