HEADER PROTEIN 24-FEB-12 NONE TITLE NULL COMPND MOLECULE: 44151801 SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 24-FEB-12 0 HETATM 1 Cl UNK 0 3.080 6.595 0.000 0.00 0.00 Cl+0 HETATM 2 O UNK 0 19.085 -7.265 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 18.865 -9.352 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 17.751 -1.875 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 16.440 -14.347 0.000 0.00 0.00 O+0 HETATM 6 O UNK 0 23.086 -0.335 0.000 0.00 0.00 O+0 HETATM 7 O UNK 0 21.752 5.055 0.000 0.00 0.00 O+0 HETATM 8 O UNK 0 16.417 6.595 0.000 0.00 0.00 O+0 HETATM 9 O UNK 0 16.417 1.975 0.000 0.00 0.00 O+0 HETATM 10 O UNK 0 12.416 2.745 0.000 0.00 0.00 O+0 HETATM 11 O UNK 0 8.415 6.595 0.000 0.00 0.00 O+0 HETATM 12 O UNK 0 27.087 -2.645 0.000 0.00 0.00 O+0 HETATM 13 O UNK 0 9.748 11.985 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 25.753 7.365 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 28.421 13.525 0.000 0.00 0.00 O+0 HETATM 16 O UNK 0 9.748 13.525 0.000 0.00 0.00 O+0 HETATM 17 O UNK 0 31.088 8.905 0.000 0.00 0.00 O+0 HETATM 18 N UNK 0 16.417 -7.265 0.000 0.00 0.00 N+0 HETATM 19 N UNK 0 19.085 -4.185 0.000 0.00 0.00 N+0 HETATM 20 N UNK 0 17.081 -11.334 0.000 0.00 0.00 N+0 HETATM 21 N UNK 0 20.418 -0.335 0.000 0.00 0.00 N+0 HETATM 22 N UNK 0 11.082 -4.185 0.000 0.00 0.00 N+0 HETATM 23 N UNK 0 19.049 -14.901 0.000 0.00 0.00 N+0 HETATM 24 N UNK 0 20.418 2.745 0.000 0.00 0.00 N+0 HETATM 25 N UNK 0 17.751 4.285 0.000 0.00 0.00 N+0 HETATM 26 N UNK 0 13.750 5.055 0.000 0.00 0.00 N+0 HETATM 27 N UNK 0 28.421 -0.335 0.000 0.00 0.00 N+0 HETATM 28 N UNK 0 11.082 6.595 0.000 0.00 0.00 N+0 HETATM 29 N UNK 0 24.419 9.675 0.000 0.00 0.00 N+0 HETATM 30 N UNK 0 11.082 9.675 0.000 0.00 0.00 N+0 HETATM 31 N UNK 0 12.416 13.525 0.000 0.00 0.00 N+0 HETATM 32 N UNK 0 29.754 -2.645 0.000 0.00 0.00 N+0 HETATM 33 N UNK 0 28.421 8.905 0.000 0.00 0.00 N+0 HETATM 34 N UNK 0 8.415 0.435 0.000 0.00 0.00 N+0 HETATM 35 N UNK 0 29.754 11.215 0.000 0.00 0.00 N+0 HETATM 36 C UNK 0 16.256 -8.797 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 14.750 -9.117 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 13.980 -7.783 0.000 0.00 0.00 C+0 HETATM 39 C UNK 0 15.010 -6.639 0.000 0.00 0.00 C+0 HETATM 40 C UNK 0 17.751 -6.495 0.000 0.00 0.00 C+0 HETATM 41 C UNK 0 17.751 -4.955 0.000 0.00 0.00 C+0 HETATM 42 C UNK 0 17.401 -9.827 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 16.417 -4.185 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 15.083 -4.955 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 13.750 -4.185 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 20.418 -1.875 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 19.085 -2.645 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 18.225 -12.364 0.000 0.00 0.00 C+0 HETATM 49 C UNK 0 21.752 -2.645 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 12.416 -4.955 0.000 0.00 0.00 C+0 HETATM 51 C UNK 0 22.522 -3.979 0.000 0.00 0.00 C+0 HETATM 52 C UNK 0 19.690 -11.888 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 17.905 -13.871 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 24.062 -3.979 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 21.752 -5.313 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 9.748 -4.955 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 21.752 0.435 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 21.752 1.975 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 23.086 2.745 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 8.415 -4.185 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 9.748 -6.495 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 24.419 1.975 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 20.418 4.285 0.000 0.00 0.00 C+0 HETATM 64 C UNK 0 19.085 5.055 0.000 0.00 0.00 C+0 HETATM 65 C UNK 0 19.085 6.595 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 24.419 0.435 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 25.753 2.745 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 20.418 7.365 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 25.753 -0.335 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 27.087 1.975 0.000 0.00 0.00 C+0 HETATM 71 C UNK 0 27.087 0.435 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 16.417 5.055 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 15.083 4.285 0.000 0.00 0.00 C+0 HETATM 74 C UNK 0 21.752 6.595 0.000 0.00 0.00 C+0 HETATM 75 C UNK 0 20.418 8.905 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 15.083 2.745 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 11.082 5.055 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 23.086 7.365 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 21.752 9.675 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 12.416 4.285 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 23.086 8.905 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 9.748 4.285 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 9.748 8.905 0.000 0.00 0.00 C+0 HETATM 84 C UNK 0 9.748 7.365 0.000 0.00 0.00 C+0 HETATM 85 C UNK 0 8.415 9.675 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 28.421 -1.875 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 12.416 11.985 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 9.748 2.745 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 11.082 11.215 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 13.750 11.215 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 7.081 8.905 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 25.753 8.905 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 27.087 9.675 0.000 0.00 0.00 C+0 HETATM 94 C UNK 0 15.083 11.985 0.000 0.00 0.00 C+0 HETATM 95 C UNK 0 11.082 1.975 0.000 0.00 0.00 C+0 HETATM 96 C UNK 0 8.415 1.975 0.000 0.00 0.00 C+0 HETATM 97 C UNK 0 27.087 11.215 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 5.747 9.675 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 7.081 7.365 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 16.417 11.215 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 15.083 13.525 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 17.751 11.985 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 17.751 13.525 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 11.082 0.435 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 28.421 11.985 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 16.417 14.295 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 11.082 14.295 0.000 0.00 0.00 C+0 HETATM 108 C UNK 0 4.414 8.905 0.000 0.00 0.00 C+0 HETATM 109 C UNK 0 5.747 6.595 0.000 0.00 0.00 C+0 HETATM 110 C UNK 0 29.754 9.675 0.000 0.00 0.00 C+0 HETATM 111 C UNK 0 9.748 -0.335 0.000 0.00 0.00 C+0 HETATM 112 C UNK 0 4.414 7.365 0.000 0.00 0.00 C+0 HETATM 113 C UNK 0 19.128 11.162 0.000 0.00 0.00 C+0 HETATM 114 C UNK 0 19.128 14.349 0.000 0.00 0.00 C+0 HETATM 115 C UNK 0 11.082 15.835 0.000 0.00 0.00 C+0 HETATM 116 C UNK 0 20.523 11.953 0.000 0.00 0.00 C+0 HETATM 117 C UNK 0 20.523 13.557 0.000 0.00 0.00 C+0 CONECT 1 112 CONECT 2 40 CONECT 3 42 CONECT 4 47 CONECT 5 53 CONECT 6 57 CONECT 7 63 CONECT 8 72 CONECT 9 76 CONECT 10 80 CONECT 11 84 CONECT 12 86 CONECT 13 89 CONECT 14 92 CONECT 15 105 CONECT 16 107 CONECT 17 110 CONECT 18 36 39 40 CONECT 19 41 47 CONECT 20 42 48 CONECT 21 46 57 CONECT 22 50 56 CONECT 23 53 CONECT 24 58 63 CONECT 25 64 72 CONECT 26 73 80 CONECT 27 71 86 CONECT 28 77 84 CONECT 29 81 92 CONECT 30 83 89 CONECT 31 87 107 CONECT 32 86 CONECT 33 93 110 CONECT 34 96 111 CONECT 35 105 110 CONECT 36 18 37 42 CONECT 37 36 38 CONECT 38 37 39 CONECT 39 18 38 CONECT 40 2 18 41 CONECT 41 19 40 43 CONECT 42 3 20 36 CONECT 43 41 44 CONECT 44 43 45 CONECT 45 44 50 CONECT 46 21 47 49 CONECT 47 4 19 46 CONECT 48 20 52 53 CONECT 49 46 51 CONECT 50 22 45 CONECT 51 49 54 55 CONECT 52 48 CONECT 53 5 23 48 CONECT 54 51 CONECT 55 51 CONECT 56 22 60 61 CONECT 57 6 21 58 CONECT 58 24 57 59 CONECT 59 58 62 CONECT 60 56 CONECT 61 56 CONECT 62 59 66 67 CONECT 63 7 24 64 CONECT 64 25 63 65 CONECT 65 64 68 CONECT 66 62 69 CONECT 67 62 70 CONECT 68 65 74 75 CONECT 69 66 71 CONECT 70 67 71 CONECT 71 27 69 70 CONECT 72 8 25 73 CONECT 73 26 72 76 CONECT 74 68 78 CONECT 75 68 79 CONECT 76 9 73 CONECT 77 28 80 82 CONECT 78 74 81 CONECT 79 75 81 CONECT 80 10 26 77 CONECT 81 29 78 79 CONECT 82 77 88 CONECT 83 30 84 85 CONECT 84 11 28 83 CONECT 85 83 91 CONECT 86 12 27 32 CONECT 87 31 89 90 CONECT 88 82 95 96 CONECT 89 13 30 87 CONECT 90 87 94 CONECT 91 85 98 99 CONECT 92 14 29 93 CONECT 93 33 92 97 CONECT 94 90 100 101 CONECT 95 88 104 CONECT 96 34 88 CONECT 97 93 105 CONECT 98 91 108 CONECT 99 91 109 CONECT 100 94 102 CONECT 101 94 106 CONECT 102 100 103 113 CONECT 103 102 106 114 CONECT 104 95 111 CONECT 105 15 35 97 CONECT 106 101 103 CONECT 107 16 31 115 CONECT 108 98 112 CONECT 109 99 112 CONECT 110 17 33 35 CONECT 111 34 104 CONECT 112 1 108 109 CONECT 113 102 116 CONECT 114 103 117 CONECT 115 107 CONECT 116 113 117 CONECT 117 114 116 MASTER 0 0 0 0 0 0 0 0 117 0 248 0 END