MMs01739818 MOE2007 2D CORINA 3.40 0006 02.08.2006 25 25 0 0 1 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 -1.2934 -0.7598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2821 -2.2597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -2.9999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 -2.2402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3047 -0.7402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0196 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 -0.0196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6093 1.4804 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8914 -0.7793 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1960 -0.0391 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.1960 -1.2391 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2073 1.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5120 2.2010 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.4894 -0.7989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7940 -0.0587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0090 1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3167 -2.8675 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3597 -2.8323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8823 -1.9793 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0240 1.2613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8054 2.5915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5210 3.4010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4781 -2.2989 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5127 -2.9067 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 17 1 0 0 0 0 2 3 2 0 0 0 0 2 8 1 0 0 0 0 3 4 1 0 0 0 0 3 18 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 19 1 0 0 0 0 6 7 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 13 14 1 0 0 0 0 13 21 1 0 0 0 0 13 22 1 0 0 0 0 14 23 1 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 24 25 1 0 0 0 0 M END