MMs01959297 MOE2007 2D CORINA 3.40 0006 02.08.2006 58 60 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 0.7491 1.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0018 2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2491 1.3006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 0.0020 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.6000 -1.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2509 -1.2975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0018 -2.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5000 0.0030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2491 1.3026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4982 2.6011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7491 1.3036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5000 0.0051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0000 0.0061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7491 1.3056 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9982 2.6042 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4982 2.6031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2491 1.3066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 2.6062 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.4982 2.6072 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2491 1.3087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2474 3.9067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7474 3.9078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4965 5.2073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7456 6.5058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2456 6.5048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4965 5.2053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9965 5.2043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3958 6.2431 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2474 3.9047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7474 3.9037 0.0000 O 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 1.0396 -0.5993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4509 1.2995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0371 3.1988 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6025 3.6369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0406 1.9974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0399 2.4822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3765 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1007 -1.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1491 2.3428 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 -0.4061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7092 -1.1766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -1.1758 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.4036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3491 0.2664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1256 3.0153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7891 3.7858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3703 3.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7058 3.7851 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0415 0.1247 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3770 0.8970 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3481 2.8689 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6965 5.2081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3449 7.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6449 7.5436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7509 -1.2985 0.0000 O 0 5 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 4 1 0 0 0 0 2 35 1 0 0 0 0 3 36 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 39 1 0 0 0 0 4 40 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 9 1 0 0 0 0 7 8 2 0 0 0 0 7 58 1 0 0 0 0 9 10 1 0 0 0 0 9 41 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 12 42 1 0 0 0 0 13 14 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 15 1 0 0 0 0 14 45 1 0 0 0 0 14 46 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 15 47 1 0 0 0 0 16 17 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 19 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 19 20 1 0 0 0 0 19 30 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 22 27 2 0 0 0 0 23 24 2 0 0 0 0 23 54 1 0 0 0 0 24 25 1 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 56 1 0 0 0 0 26 27 1 0 0 0 0 26 57 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 28 30 1 0 0 0 0 30 31 2 0 0 0 0 M CHG 1 58 -1 M END