MMs01823253 MOE2007 2D CORINA 3.40 0006 02.08.2006 49 52 0 0 0 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 -0.7562 -1.2954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0125 -2.5980 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4875 -2.6053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2313 -3.9079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4750 -5.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0250 -5.1961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7687 -3.8935 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2687 -3.8863 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0249 -5.1817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7812 -6.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0374 -7.7941 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7312 -3.9151 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4875 -2.6197 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7437 -1.3170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9875 -2.6269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7437 -1.3314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2437 -1.3386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1312 -0.1294 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7658 1.0137 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5555 -0.5997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8581 0.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1536 -0.6122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1463 -2.1122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8437 -2.8560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5483 -2.0997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1195 -2.5564 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7312 -3.9295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2312 -3.9367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9750 -5.2249 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4750 -5.2177 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7188 -6.5131 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0363 -0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6050 1.0363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0363 0.6050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0925 -1.5689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0700 -6.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0613 -4.5767 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6299 -6.2180 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9886 -5.7867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0795 -8.3891 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 -8.8362 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0047 -7.1991 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1487 -0.2893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8639 1.3440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1957 -0.0172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1827 -2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8380 -4.0559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5700 -6.2670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 1 35 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 36 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 6 7 2 0 0 0 0 6 37 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 12 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 12 43 1 0 0 0 0 13 14 1 0 0 0 0 13 31 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 2 0 0 0 0 16 28 1 0 0 0 0 17 18 1 0 0 0 0 17 44 1 0 0 0 0 18 19 1 0 0 0 0 18 27 2 0 0 0 0 19 20 1 0 0 0 0 19 21 1 0 0 0 0 21 22 1 0 0 0 0 21 26 2 0 0 0 0 22 23 2 0 0 0 0 22 45 1 0 0 0 0 23 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 27 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 30 31 1 0 0 0 0 30 49 1 0 0 0 0 31 32 2 0 0 0 0 M END