MMs01858085 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3030 -0.7431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -2.2431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0159 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0239 -4.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3268 -5.2430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 -4.4862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6139 -2.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9090 -2.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9010 -0.7293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2120 -2.9724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5070 -2.2155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4991 -0.7156 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.8100 -2.9586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1051 -2.2018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0971 -0.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6952 -0.6880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7031 -2.1880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4081 -2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0061 -2.9311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3011 -2.1742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2932 -0.6742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5882 0.0826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 0.0689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9249 -5.2293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9328 -6.7292 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5945 1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0424 0.5945 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5945 -1.0424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0265 -2.4055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0122 -5.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3332 -6.4430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2183 -4.1724 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8164 -4.1586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0547 -0.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3858 1.2551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4144 -4.1449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0125 -4.1311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3435 -2.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7329 -6.7356 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9392 -7.9292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1328 -6.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 0 0 0 0 4 5 2 0 0 0 0 4 31 1 0 0 0 0 5 6 1 0 0 0 0 5 32 1 0 0 0 0 6 7 2 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 14 15 1 0 0 0 0 14 35 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 36 1 0 0 0 0 17 18 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 25 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 20 38 1 0 0 0 0 21 22 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 26 27 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 27 43 1 0 0 0 0 M END