MMs00451291 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 0.0071 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3096 -2.2439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6051 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2955 0.7561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8935 0.7683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8865 2.2683 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0245 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2032 -1.4755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9077 -2.2316 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 0.7806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0367 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8012 -1.4633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0896 0.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0489 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.3922 1.2489 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3992 -1.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7018 -2.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7089 -3.6949 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0114 -4.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3069 -3.6827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2998 -2.1827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9973 -1.4388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6095 -4.4266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6151 -5.6266 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6877 0.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6806 2.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0420 0.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0293 -2.1049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -3.4438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2898 1.9561 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2452 -2.0706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7159 1.6962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2586 1.7034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0840 1.9928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2165 -1.2483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9941 -2.5806 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6725 -4.2998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0171 -5.6388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3362 -1.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9945 -0.8389 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0611 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 11 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 2 0 0 0 0 10 33 1 0 0 0 0 12 13 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 36 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 27 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 24 2 0 0 0 0 20 21 2 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 26 1 0 0 0 0 27 28 2 0 0 0 0 27 43 1 0 0 0 0 M CHG 1 43 -1 M END