MMs02169458 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 1.2941 -0.7585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2842 -2.2585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6079 1.4828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8921 -0.7757 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2059 1.4657 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.1707 2.0726 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5099 2.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5198 3.7071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8039 1.4486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4901 -0.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2176 -0.5243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1072 0.6834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2336 1.9027 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6717 -1.9539 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 10.5202 -1.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7820 -3.1616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6557 -4.3809 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.4966 -4.6915 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0853 -3.9268 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.0853 -5.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0952 -2.4268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2930 -4.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6673 -4.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1828 -5.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6068 1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0353 0.6068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6068 -1.0353 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2548 -1.3585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0842 -2.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2763 -3.4585 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4842 -2.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -1.9756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3072 0.6755 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8956 -2.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8850 -3.9586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4243 -5.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9574 -5.8157 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6334 -4.9271 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9798 -6.7014 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 29 1 0 0 0 0 1 30 1 0 0 0 0 1 31 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 32 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 3 35 1 0 0 0 0 4 5 2 0 0 0 0 4 6 1 0 0 0 0 6 7 1 0 0 0 0 6 36 1 0 0 0 0 7 8 1 0 0 0 0 7 14 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 12 17 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 2 0 0 0 0 16 37 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 25 1 0 0 0 0 20 21 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 21 28 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 0 0 0 0 26 41 1 0 0 0 0 27 42 1 0 0 0 0 28 43 1 0 0 0 0 M END