MMs02439433 MOE2007 2D CORINA 3.40 0006 02.08.2006 43 45 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 1.3054 -0.7389 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3182 -2.2388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 0.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9034 -0.7166 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 0.0445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5014 -0.6944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8258 -2.1589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3189 -2.3029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9172 -0.9274 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7939 0.0667 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7811 1.5666 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4757 2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1831 1.5444 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8777 2.2833 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.3817 -0.6030 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7817 0.4362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5050 -1.5971 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3535 -2.4457 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7975 -0.8361 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 13.8368 -0.2361 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4731 0.6284 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.1626 1.7876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9801 0.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4673 1.7517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9915 3.1743 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7868 4.0729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1730 -1.4344 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3087 -2.6267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3609 -3.0902 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.8317 -3.2822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8375 -4.4054 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5911 1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0443 0.5911 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5911 -1.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1183 -2.2491 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3285 -3.4388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -2.2285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5877 1.2222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9277 -3.3370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4654 3.5055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2141 0.8125 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5219 2.3241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 36 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 2 0 0 0 0 4 39 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 8 1 0 0 0 0 7 11 2 0 0 0 0 8 9 2 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 40 1 0 0 0 0 10 11 1 0 0 0 0 10 16 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 30 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 28 29 1 0 0 0 0 31 32 3 0 0 0 0 M CHG 1 14 1 M CHG 1 15 -1 M CHG 1 30 -1 M END