MMs01586213 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 58 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 1.2995 0.7491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8976 0.7474 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.8976 -0.4526 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8986 2.2474 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1962 -0.0035 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4957 0.7456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4967 2.2456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7942 -0.0053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0938 0.7439 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3923 -0.0070 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3913 -1.5070 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6898 -2.2579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6888 -3.7579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9873 -4.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2869 -3.7596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2879 -2.2596 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9894 -1.5088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9904 -0.0088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2899 0.7404 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6918 0.7421 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6929 2.2421 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.6929 3.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3943 2.9930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9924 2.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2909 2.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5905 2.9895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5915 4.4895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2930 5.2404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9934 4.4912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5993 1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0396 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5993 -1.0396 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5288 1.6689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 1.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8261 -0.9205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 -0.9215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0986 2.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8994 3.4474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6986 2.2482 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1953 -1.2035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0223 -0.9240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5650 -0.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6492 -4.3572 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9865 -5.7088 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3257 -4.3603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3275 -1.6603 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9950 4.0318 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3555 3.5937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7936 1.9542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2905 1.6404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6293 2.3888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6311 5.0888 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2938 6.4404 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9546 5.0919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 32 1 0 0 0 0 1 33 1 0 0 0 0 1 34 1 0 0 0 0 2 3 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 3 4 1 0 0 0 0 3 37 1 0 0 0 0 3 38 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 7 1 0 0 0 0 6 39 1 0 0 0 0 6 40 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 42 1 0 0 0 0 8 9 2 0 0 0 0 8 10 1 0 0 0 0 10 11 1 0 0 0 0 10 43 1 0 0 0 0 10 44 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 12 22 1 0 0 0 0 13 14 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 15 45 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 17 18 2 0 0 0 0 17 47 1 0 0 0 0 18 19 1 0 0 0 0 18 48 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 25 49 1 0 0 0 0 25 50 1 0 0 0 0 25 51 1 0 0 0 0 26 27 1 0 0 0 0 26 31 2 0 0 0 0 27 28 2 0 0 0 0 27 52 1 0 0 0 0 28 29 1 0 0 0 0 28 53 1 0 0 0 0 29 30 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END