MMs03079161 MOE2007 2D CORINA 3.40 0006 02.08.2006 52 51 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 1.2950 -0.7569 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 0.2558 -1.3569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6060 1.4862 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8931 -0.7707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0276 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 5.1961 -1.2276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4911 -0.7845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0892 -0.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0812 -2.2983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3922 -0.0552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6872 -0.8121 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6872 0.3879 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6792 -2.3121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9743 -3.0690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9663 -4.5690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2613 -5.3259 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 15.3005 -5.9259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2533 -6.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5484 -7.5828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9902 -0.0691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2852 -0.8259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2041 1.4724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5071 2.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 1.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0360 0.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6055 -1.0360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8867 -1.9707 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7149 -1.6997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2576 -1.7079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0277 0.8819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5703 0.8737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3985 1.1447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4986 -2.0975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2628 -3.4375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3907 -1.9436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1549 -3.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7856 -4.3543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5499 -5.6944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9503 -7.5689 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 15.5643 -4.5828 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 16.1588 -5.6252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6067 -3.9883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.9698 -3.5404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9982 1.4309 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.9090 2.2293 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.2871 -2.2569 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0871 -2.2505 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2807 -3.4569 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4870 -2.2633 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 2 49 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 30 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 25 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 23 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 18 1 0 0 0 0 17 38 1 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 19 43 1 0 0 0 0 21 22 2 0 0 0 0 21 42 1 0 0 0 0 23 24 2 0 0 0 0 23 47 1 0 0 0 0 25 26 2 0 0 0 0 25 48 1 0 0 0 0 43 44 1 0 0 0 0 43 45 1 0 0 0 0 43 46 1 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 49 52 1 0 0 0 0 M CHG 1 42 -1 M CHG 1 43 1 M CHG 1 47 -1 M CHG 1 48 -1 M CHG 1 49 1 M END