MMs01084914 MOE2007 2D CORINA 3.40 0006 02.08.2006 22 22 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 0.0064 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2895 2.2555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3086 2.2445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6044 1.4890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5735 2.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0496 2.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5566 0.9555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5876 -0.1895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1115 0.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5924 -1.3301 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1141 -1.5843 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 -2.4833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.0327 0.6887 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 4.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0355 5.1906 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 -1.2000 0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0051 -1.2000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2000 -0.0051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8248 3.2831 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9932 -1.3189 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5903 4.3124 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 19 1 0 0 0 0 2 3 2 0 0 0 0 2 4 1 0 0 0 0 4 5 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 15 1 0 0 0 0 7 8 1 0 0 0 0 7 20 1 0 0 0 0 8 9 2 0 0 0 0 8 14 1 0 0 0 0 9 10 1 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 15 16 1 0 0 0 0 15 22 2 0 0 0 0 M CHG 1 11 1 M CHG 1 13 -1 M CHG 1 16 -1 M END