MMs01106864 MOE2007 2D CORINA 3.40 0006 02.08.2006 61 64 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 1.5000 -0.0014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4986 -1.5014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5014 1.4986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7488 -1.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2488 -1.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0000 -0.0055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 1.2943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7512 1.2956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2488 -1.3066 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2512 1.2915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7512 1.2901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5000 -0.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0000 -0.0109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7512 1.2874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0024 2.5871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5024 2.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7535 3.8855 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 14.2512 1.2860 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0024 2.5844 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5024 2.5830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2512 1.2833 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5000 -0.0150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0000 -0.0137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7512 1.2819 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5024 2.5803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5000 -0.0178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9916 -0.1759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3022 -1.6434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0024 -2.3923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8886 -1.3875 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.0005 0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0005 -0.6000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 -1.5008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4975 -2.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 -1.5025 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7014 1.4975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 2.6986 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9014 1.4992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1479 -2.3411 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8479 -2.3436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8521 2.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1521 2.3354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6521 2.3313 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8990 -1.0483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5990 -1.0507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9033 3.6283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8751 2.9959 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2118 3.7660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2951 3.7650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6304 2.9924 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6272 -0.4265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2905 -1.1966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8720 -0.4231 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2073 -1.1956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7954 0.7151 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.3980 -2.1325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.8759 -3.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 1 36 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 3 39 1 0 0 0 0 4 40 1 0 0 0 0 4 41 1 0 0 0 0 4 42 1 0 0 0 0 5 6 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 43 1 0 0 0 0 7 8 1 0 0 0 0 7 44 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 9 45 1 0 0 0 0 10 46 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 47 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 15 48 1 0 0 0 0 16 17 1 0 0 0 0 16 49 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 19 50 1 0 0 0 0 21 22 1 0 0 0 0 21 26 1 0 0 0 0 22 23 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 24 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 27 1 0 0 0 0 25 26 1 0 0 0 0 25 55 1 0 0 0 0 25 56 1 0 0 0 0 26 57 1 0 0 0 0 26 58 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 31 32 2 0 0 0 0 31 60 1 0 0 0 0 32 33 1 0 0 0 0 32 61 1 0 0 0 0 M END