MMs03168657 MOE2007 2D CORINA 3.40 0006 02.08.2006 41 43 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 1.4798 -0.2451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1514 -1.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6345 -1.3622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8796 0.1176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5480 0.8080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3238 2.2912 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.9273 2.8386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2451 1.9029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6416 2.4503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8658 3.9335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2623 4.4809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6934 4.8692 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8728 6.0557 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7031 4.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8754 5.2575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8140 1.5146 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.1246 2.6737 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7461 0.0162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1502 -0.5115 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -3.3017 -1.3600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0859 0.6609 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 -5.6859 -0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2601 1.9131 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5844 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3924 1.8567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5487 -1.9576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2209 0.7891 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.3100 2.2865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4731 -0.0367 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.1961 1.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5919 0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1961 -1.1839 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5990 -2.6517 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0658 0.7164 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1528 0.1058 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4437 -1.1451 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3227 -0.5782 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6923 0.1319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5912 1.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7100 -2.2600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 31 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 2 3 1 0 0 0 0 2 6 1 0 0 0 0 3 4 2 0 0 0 0 3 34 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 5 28 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 8 15 1 0 0 0 0 9 10 1 0 0 0 0 9 35 1 0 0 0 0 10 11 1 0 0 0 0 10 17 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 15 1 0 0 0 0 15 16 2 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 19 20 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 21 1 0 0 0 0 20 22 1 0 0 0 0 20 27 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 25 26 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 M CHG 1 28 1 M CHG 1 30 -1 M END