MMs01209579 MOE2007 2D CORINA 3.40 0006 02.08.2006 57 59 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 1.2925 -0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0224 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8905 -0.7836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8776 -2.2835 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1960 -0.0448 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 -0.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7939 -0.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5143 2.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2089 1.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1123 2.1716 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4048 1.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7103 2.1492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0753 1.5273 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.2344 1.2167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0886 2.6333 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.3498 3.9388 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 14.5498 3.9388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8799 3.6396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7739 4.6528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9717 5.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3745 0.0574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2512 -0.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5504 -2.4065 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9729 -2.8823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0963 -1.8882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7971 -0.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9204 0.5757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6089 1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0340 0.6089 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6089 -1.0340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5133 -1.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0559 -1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6083 1.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7092 -1.7185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2519 -1.7318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1946 -1.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9775 0.1310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7509 3.1198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2936 3.1065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0254 1.2570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8082 2.5863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8916 3.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3489 3.0974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6256 0.4978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1682 0.4845 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0637 4.8063 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4692 6.3958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8797 5.8013 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1132 -0.5560 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6517 -3.2017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2123 -4.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2343 -2.2689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7156 -0.3230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8190 1.3709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1251 1.4743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 1.4328 0.0000 N 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 32 1 0 0 0 0 2 33 1 0 0 0 0 3 4 1 0 0 0 0 3 34 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 10 1 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 7 36 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 8 57 1 0 0 0 0 9 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 9 57 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 11 57 1 0 0 0 0 12 13 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 14 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 22 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 21 1 0 0 0 0 19 20 2 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 50 1 0 0 0 0 24 25 1 0 0 0 0 24 51 1 0 0 0 0 25 26 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 26 53 1 0 0 0 0 27 28 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END