MMs01136190 MOE2007 2D CORINA 3.40 0006 02.08.2006 44 45 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 1.3013 0.7461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 0.7382 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9039 2.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1961 -0.0157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1916 -1.5157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4884 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7897 -1.5236 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4974 0.7304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0955 0.7225 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6936 0.7147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6981 2.2147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9903 -0.0393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2916 0.7068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5884 -0.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5839 -1.5471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8806 -2.3010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1819 -1.5550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1865 -0.0550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.8897 0.6990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 -3.7696 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.5969 1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0410 -0.5969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5969 -1.0410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5327 1.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0754 1.6630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8239 -0.9248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3666 -0.9294 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1039 2.2346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9075 3.4382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7039 2.2418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1506 -2.1126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6181 -0.9483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1608 -0.9530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9867 -1.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5231 1.6284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0657 1.6237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5428 -2.1440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8770 -3.5010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.2193 -2.1581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8933 1.8989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 25 1 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 3 1 0 0 0 0 2 28 1 0 0 0 0 2 29 1 0 0 0 0 3 4 1 0 0 0 0 3 30 1 0 0 0 0 3 31 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 5 34 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 8 2 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 24 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 17 1 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 23 2 0 0 0 0 19 20 2 0 0 0 0 19 41 1 0 0 0 0 20 21 1 0 0 0 0 20 42 1 0 0 0 0 21 22 2 0 0 0 0 21 43 1 0 0 0 0 22 23 1 0 0 0 0 23 44 1 0 0 0 0 M END