MMs01087325 MOE2007 2D CORINA 3.40 0006 02.08.2006 37 38 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 -1.2943 0.7581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 0.0163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6074 -1.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3131 -2.2418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0094 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2849 -2.2581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5886 -1.5162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8829 -2.2744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1867 -1.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4810 -2.2906 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 7.2391 -0.9963 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7228 -3.5850 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7753 -3.0488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8923 0.7744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 0.0325 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4904 0.7907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 0.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8035 -1.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5092 -2.2093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2054 -1.4674 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1072 -2.1930 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -6.4810 2.2906 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1.0430 0.5935 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2868 1.9581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6504 -2.0772 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3206 -3.4418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8231 -0.5922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3657 -0.6018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1059 -3.1888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2657 -2.7364 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1229 -3.5812 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3163 -4.6279 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7678 -4.2487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8183 -2.4553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8295 0.6553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5167 -3.4093 0.0000 H 0 0 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 24 1 0 0 0 0 2 3 2 0 0 0 0 2 25 1 0 0 0 0 3 4 1 0 0 0 0 3 15 1 0 0 0 0 4 5 2 0 0 0 0 4 26 1 0 0 0 0 5 6 1 0 0 0 0 5 27 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 21 2 0 0 0 0 17 18 2 0 0 0 0 17 23 1 0 0 0 0 18 19 1 0 0 0 0 18 36 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 M END