MMs00037717 MOE2007 2D CORINA 3.40 0006 02.08.2006 53 57 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 0.7532 -1.2972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2532 -1.2935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0064 -2.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 -2.5869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 -1.2861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7532 -1.2823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0185 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5064 -2.5795 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0064 -2.5758 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4064 -3.6150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8851 -1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3128 -1.8201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3165 -3.3201 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.3557 -2.7201 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8911 -3.7872 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0425 -4.6357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8948 -5.2872 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3225 -5.7472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2012 -4.5314 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 12.5118 -5.6906 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7012 -4.5277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4544 -5.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7076 -7.1258 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4608 -8.4230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9608 -8.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7076 -7.1184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9544 -5.8212 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.2076 -7.1147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0863 -5.8990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5140 -6.3590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5177 -7.8590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0923 -8.3260 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0377 0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6026 1.0377 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0377 -0.6026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4090 -3.6314 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1090 -3.6247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0974 1.0518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3974 1.0452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9090 -3.6202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8444 -0.7627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3704 -0.2627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8371 -6.8446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3632 -6.3446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2986 -3.4870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8634 -9.4637 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5634 -9.4570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7126 -4.7586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4831 -5.6512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.4903 -8.5619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 36 1 0 0 0 0 1 37 1 0 0 0 0 1 38 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 3 8 2 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 5 40 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 41 1 0 0 0 0 8 42 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 22 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 24 48 1 0 0 0 0 25 26 1 0 0 0 0 25 30 2 0 0 0 0 26 27 2 0 0 0 0 27 28 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 31 32 2 0 0 0 0 31 35 1 0 0 0 0 32 33 1 0 0 0 0 32 51 1 0 0 0 0 33 34 2 0 0 0 0 33 52 1 0 0 0 0 34 35 1 0 0 0 0 34 53 1 0 0 0 0 M END