MMs02149956 MOE2007 2D CORINA 3.40 0006 02.08.2006 42 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 0.7547 1.2963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0094 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4906 2.6035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2453 1.3072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.0054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7114 1.6244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8627 3.1167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4902 3.7218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2365 4.8947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2308 3.7318 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.2308 2.5318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4476 2.8545 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2962 1.3622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9281 0.7471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8157 3.4696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9670 4.9619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.0324 2.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4005 3.2074 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -11.6172 2.3301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0421 2.7988 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9281 1.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0509 0.3717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6226 0.8301 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.3822 5.2241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5336 6.7165 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -6.8746 5.0727 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.8899 5.3755 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 0.5962 -1.0414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9547 1.2920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6132 3.6351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1038 -1.0316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4929 1.4502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5907 0.1989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0679 -0.0896 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6027 -0.2453 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1722 1.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7070 1.5999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8170 2.3946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8228 0.7887 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0923 -0.2245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5668 -0.7263 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 29 1 0 0 0 0 2 3 2 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 31 1 0 0 0 0 4 5 2 0 0 0 0 4 9 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 6 32 1 0 0 0 0 7 8 2 0 0 0 0 7 15 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 10 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 25 1 0 0 0 0 13 14 1 0 0 0 0 13 16 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 15 36 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 24 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 25 26 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 M END