MMs01107089 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 60 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 -0.0092 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2853 2.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 1.5158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3036 -0.7421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8833 2.2738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 0.0317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4996 -0.7103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 0.0476 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7849 1.5476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4813 2.2896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0977 -0.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 0.0635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6957 -0.6786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7049 -2.1786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4104 -2.9365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1068 -2.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0085 -2.9206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.3029 -2.1627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2937 -0.6627 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.6065 -2.9048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9009 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8918 -0.6469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2045 -2.8889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2137 -4.3889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5173 -5.1309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8117 -4.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8025 -2.8730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4989 -2.1310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1153 -5.1151 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.0355 -0.6063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0520 2.0936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 3.4579 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6409 -0.5778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3109 -1.9420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1064 3.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6490 3.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7925 -1.0984 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0130 0.2329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7339 -1.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2766 -1.6249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9679 1.3464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1885 2.6777 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2470 3.2136 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7044 3.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3848 1.2634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7313 -0.0723 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4178 -4.1365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0713 -2.8008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0158 -4.1206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6138 -4.1047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1781 -4.9952 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.5246 -6.3309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.8381 -2.2667 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.4916 -0.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 1.5317 0.0000 N 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 32 1 0 0 0 0 2 3 2 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 1 0 0 0 0 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 35 1 0 0 0 0 6 36 1 0 0 0 0 7 37 1 0 0 0 0 7 38 1 0 0 0 0 7 57 1 0 0 0 0 8 9 1 0 0 0 0 8 39 1 0 0 0 0 8 40 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 9 42 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 12 57 1 0 0 0 0 13 14 1 0 0 0 0 13 18 2 0 0 0 0 14 15 2 0 0 0 0 14 47 1 0 0 0 0 15 16 1 0 0 0 0 15 48 1 0 0 0 0 16 17 2 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 18 50 1 0 0 0 0 19 20 1 0 0 0 0 19 51 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 22 52 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 27 54 1 0 0 0 0 28 29 2 0 0 0 0 28 31 1 0 0 0 0 29 30 1 0 0 0 0 29 55 1 0 0 0 0 30 56 1 0 0 0 0 M END