MMs02693848 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 1.3028 0.7434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5980 -0.0131 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 1.5588 -0.6131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5905 -1.5131 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9008 0.7304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1885 -1.5262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4989 0.7173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7941 -0.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0969 0.7042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2612 2.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7300 2.4996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4735 1.1968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4642 0.0872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9205 -1.3417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3861 -1.6610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3954 -0.5513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9391 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3470 3.8669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5064 2.2173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8092 2.9607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2112 2.9738 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9084 2.2303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6132 2.9869 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5948 1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 -0.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5948 -1.0422 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5361 1.6666 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0788 1.6588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3905 -1.5070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5844 -2.7131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7905 -1.5191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7881 -1.2392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3735 3.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1131 -2.2294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7512 -2.8041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5679 -0.8067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7465 1.7653 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4408 3.3733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8406 4.9606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2532 4.3605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2172 4.1738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 1 28 1 0 0 0 0 2 3 1 0 0 0 0 2 29 1 0 0 0 0 2 30 1 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 3 6 1 0 0 0 0 5 31 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 24 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 9 10 2 0 0 0 0 9 21 1 0 0 0 0 10 11 1 0 0 0 0 10 34 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 14 15 1 0 0 0 0 14 19 2 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 25 2 0 0 0 0 M END