MMs00957198 MOE2007 2D CORINA 3.40 0006 02.08.2006 56 59 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 -0.7481 -1.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0038 -2.5981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5038 -2.5959 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2519 -1.2957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5000 0.0022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2558 -3.8938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7558 -3.8916 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 4.9558 -3.8916 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5038 -2.5914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7519 -1.2935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0038 -2.5892 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7519 -1.2891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2519 -1.2869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0038 -2.5848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2557 -3.8849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7557 -3.8871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5038 -2.5826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2557 -3.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7557 -3.8783 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5038 -2.5781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7519 -1.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2519 -1.2824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5000 0.0199 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.5077 -5.1895 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7596 -6.4896 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0597 -7.2377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4594 -5.7416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0115 -7.7898 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5200 -7.9488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2103 -9.4165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5104 -10.1645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6236 -9.1592 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6694 -11.6561 0.0000 Br 0 0 0 0 0 0 0 0 0 0 0 0 -0.6015 1.0383 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9481 -1.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5946 -3.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8519 -1.2948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0985 1.0423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1287 -4.3059 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4659 -5.0752 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6237 -0.8803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9585 -0.1070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0418 -0.1054 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3789 -0.8748 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3840 -4.2937 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0491 -5.0670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6287 -4.2992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9659 -5.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6573 -4.9206 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3573 -4.9166 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7038 -2.5764 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6504 -0.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7077 -5.1877 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7157 -7.0582 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1147 -9.9062 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 2 0 0 0 0 1 35 1 0 0 0 0 2 3 2 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 4 5 2 0 0 0 0 4 7 1 0 0 0 0 5 6 1 0 0 0 0 5 38 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 40 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 25 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 13 14 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 15 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 17 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 17 48 1 0 0 0 0 17 49 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 50 1 0 0 0 0 20 21 1 0 0 0 0 20 51 1 0 0 0 0 21 22 2 0 0 0 0 21 52 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 53 1 0 0 0 0 25 26 1 0 0 0 0 25 54 1 0 0 0 0 26 27 2 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 29 30 2 0 0 0 0 29 33 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 31 56 1 0 0 0 0 32 33 1 0 0 0 0 32 34 1 0 0 0 0 M END