MMs01081867 MOE2007 2D CORINA 3.40 0006 02.08.2006 31 32 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 -1.3035 0.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3125 2.2422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0180 2.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2855 2.2577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2945 0.7578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8925 0.7733 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6070 -1.4844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6160 2.9844 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9105 2.2266 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1528 0.9321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6683 3.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2050 1.4688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5086 2.2110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8031 1.4533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 -0.0467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4906 -0.7889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1961 -0.0311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0886 -0.8045 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 0.0072 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3391 0.1360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0252 4.1999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3211 2.8640 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5714 -2.0906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6498 -2.0782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6232 4.1844 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5158 3.4110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8459 2.0470 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4834 -1.9889 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1533 -0.6249 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 21 1 0 0 0 0 2 3 2 0 0 0 0 2 22 1 0 0 0 0 3 4 1 0 0 0 0 3 10 1 0 0 0 0 4 5 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 24 1 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 11 1 0 0 0 0 10 27 1 0 0 0 0 11 12 2 0 0 0 0 11 13 2 0 0 0 0 11 14 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 28 1 0 0 0 0 16 17 1 0 0 0 0 16 29 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 30 1 0 0 0 0 19 31 1 0 0 0 0 M END