MMs00158035 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 51 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 0.0017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2514 -1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5029 -2.5964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0029 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7486 -1.2999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 -1.3015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -0.0033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2514 1.2965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5029 2.5964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 -0.0050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2486 -1.3049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2514 1.2932 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7514 1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5029 2.5898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0029 2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7514 1.2882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 -0.0100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 -0.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2514 1.2866 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.2531 2.7866 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2498 -0.2134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7514 1.2849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7514 -1.2949 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5029 -2.5931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7543 -3.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0029 -2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7514 -1.2916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2514 -1.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0029 -2.5881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2543 -3.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7543 -3.8896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5029 -2.5864 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.6012 1.0386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0988 1.0416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1040 -3.6350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5960 -3.6380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8474 -2.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6526 2.3331 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9040 3.6297 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6040 3.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5988 -1.0499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8988 -1.0469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3503 0.2450 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3526 2.3235 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1503 -0.2530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8503 -0.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8555 -4.9265 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1555 -4.9295 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 34 1 0 0 0 0 2 3 2 0 0 0 0 2 35 1 0 0 0 0 3 4 1 0 0 0 0 3 24 1 0 0 0 0 4 5 2 0 0 0 0 4 36 1 0 0 0 0 5 6 1 0 0 0 0 5 37 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 38 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 3 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 39 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 40 1 0 0 0 0 16 17 1 0 0 0 0 16 41 1 0 0 0 0 17 18 2 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 27 32 2 0 0 0 0 28 29 2 0 0 0 0 28 46 1 0 0 0 0 29 30 1 0 0 0 0 29 47 1 0 0 0 0 30 31 2 0 0 0 0 30 33 1 0 0 0 0 31 32 1 0 0 0 0 31 48 1 0 0 0 0 32 49 1 0 0 0 0 M END