HEADER PROTEIN 23-FEB-12 NONE TITLE NULL COMPND MOLECULE: HMBD06650.mol SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 23-FEB-12 0 HETATM 1 C UNK 0 -14.272 -8.682 0.000 0.00 0.00 C+0 HETATM 2 C UNK 0 -13.499 -10.020 0.000 0.00 0.00 C+0 HETATM 3 C UNK 0 -11.954 -10.020 0.000 0.00 0.00 C+0 HETATM 4 C UNK 0 -11.182 -8.682 0.000 0.00 0.00 C+0 HETATM 5 O UNK 0 -11.954 -7.344 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -13.499 -7.344 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -14.269 -6.010 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -13.499 -4.677 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -15.812 -8.682 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -14.269 -11.354 0.000 0.00 0.00 C+0 HETATM 11 O UNK 0 -9.642 -8.682 0.000 0.00 0.00 O+0 HETATM 12 C UNK 0 -11.184 -11.354 0.000 0.00 0.00 C+0 HETATM 13 C UNK 0 -8.872 -7.349 0.000 0.00 0.00 C+0 HETATM 14 C UNK 0 -7.326 -7.349 0.000 0.00 0.00 C+0 HETATM 15 C UNK 0 -6.554 -6.010 0.000 0.00 0.00 C+0 HETATM 16 O UNK 0 -7.326 -4.672 0.000 0.00 0.00 O+0 HETATM 17 C UNK 0 -8.872 -4.672 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -9.644 -6.010 0.000 0.00 0.00 C+0 HETATM 19 C UNK 0 -11.184 -6.010 0.000 0.00 0.00 C+0 HETATM 20 C UNK 0 -9.642 -3.339 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -8.872 -2.005 0.000 0.00 0.00 C+0 HETATM 22 O UNK 0 -5.014 -6.010 0.000 0.00 0.00 O+0 HETATM 23 C UNK 0 -4.244 -4.677 0.000 0.00 0.00 C+0 HETATM 24 C UNK 0 -2.699 -4.677 0.000 0.00 0.00 C+0 HETATM 25 C UNK 0 -1.926 -3.339 0.000 0.00 0.00 C+0 HETATM 26 O UNK 0 -2.699 -2.000 0.000 0.00 0.00 O+0 HETATM 27 C UNK 0 -4.244 -2.000 0.000 0.00 0.00 C+0 HETATM 28 C UNK 0 -5.017 -3.339 0.000 0.00 0.00 C+0 HETATM 29 C UNK 0 -1.929 -6.010 0.000 0.00 0.00 C+0 HETATM 30 C UNK 0 -6.556 -3.339 0.000 0.00 0.00 C+0 HETATM 31 O UNK 0 -0.386 -3.339 0.000 0.00 0.00 O+0 HETATM 32 C UNK 0 0.384 -2.005 0.000 0.00 0.00 C+0 HETATM 33 C UNK 0 1.929 -2.005 0.000 0.00 0.00 C+0 HETATM 34 C UNK 0 2.701 -0.667 0.000 0.00 0.00 C+0 HETATM 35 C UNK 0 1.929 0.671 0.000 0.00 0.00 C+0 HETATM 36 O UNK 0 0.384 0.671 0.000 0.00 0.00 O+0 HETATM 37 C UNK 0 -0.389 -0.667 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -5.014 -0.667 0.000 0.00 0.00 C+0 HETATM 39 O UNK 0 -4.244 0.667 0.000 0.00 0.00 O+0 HETATM 40 C UNK 0 -5.014 2.000 0.000 0.00 0.00 C+0 HETATM 41 O UNK 0 -4.241 3.339 0.000 0.00 0.00 O+0 HETATM 42 C UNK 0 -5.014 4.677 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 -6.559 4.677 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 -7.332 3.339 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 -6.559 2.000 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 -4.244 6.010 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 -5.014 7.344 0.000 0.00 0.00 C+0 HETATM 48 O UNK 0 -7.329 6.010 0.000 0.00 0.00 O+0 HETATM 49 C UNK 0 -8.872 3.339 0.000 0.00 0.00 C+0 HETATM 50 C UNK 0 -8.869 6.010 0.000 0.00 0.00 C+0 HETATM 51 O UNK 0 -9.642 4.672 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 -11.187 4.672 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 -11.960 6.010 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 -11.187 7.349 0.000 0.00 0.00 C+0 HETATM 55 C UNK 0 -9.642 7.349 0.000 0.00 0.00 C+0 HETATM 56 C UNK 0 -11.957 3.339 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 -13.499 6.010 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 -11.957 8.682 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 -8.872 8.682 0.000 0.00 0.00 C+0 HETATM 60 C UNK 0 -13.497 3.339 0.000 0.00 0.00 C+0 HETATM 61 C UNK 0 -1.929 -0.667 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 2.699 -3.339 0.000 0.00 0.00 C+0 HETATM 63 C UNK 0 -2.699 0.667 0.000 0.00 0.00 C+0 HETATM 64 O UNK 0 2.699 2.005 0.000 0.00 0.00 O+0 HETATM 65 C UNK 0 1.929 3.339 0.000 0.00 0.00 C+0 HETATM 66 C UNK 0 2.699 4.672 0.000 0.00 0.00 C+0 HETATM 67 C UNK 0 4.244 4.672 0.000 0.00 0.00 C+0 HETATM 68 C UNK 0 5.017 6.010 0.000 0.00 0.00 C+0 HETATM 69 C UNK 0 4.244 7.349 0.000 0.00 0.00 C+0 HETATM 70 C UNK 0 2.699 7.349 0.000 0.00 0.00 C+0 HETATM 71 O UNK 0 1.926 6.010 0.000 0.00 0.00 O+0 HETATM 72 C UNK 0 5.014 3.339 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 5.014 8.682 0.000 0.00 0.00 C+0 HETATM 74 O UNK 0 1.929 8.682 0.000 0.00 0.00 O+0 HETATM 75 C UNK 0 0.389 8.682 0.000 0.00 0.00 C+0 HETATM 76 C UNK 0 -0.384 10.020 0.000 0.00 0.00 C+0 HETATM 77 C UNK 0 -1.929 10.020 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -2.701 8.682 0.000 0.00 0.00 C+0 HETATM 79 O UNK 0 -1.929 7.344 0.000 0.00 0.00 O+0 HETATM 80 C UNK 0 -0.384 7.344 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 0.386 11.354 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 0.386 6.010 0.000 0.00 0.00 C+0 HETATM 83 C UNK 0 -2.699 11.354 0.000 0.00 0.00 C+0 HETATM 84 O UNK 0 6.556 6.010 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 7.326 7.344 0.000 0.00 0.00 C+0 HETATM 86 O UNK 0 6.554 8.682 0.000 0.00 0.00 O+0 HETATM 87 C UNK 0 7.326 10.020 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 8.872 10.020 0.000 0.00 0.00 C+0 HETATM 89 C UNK 0 9.644 8.682 0.000 0.00 0.00 C+0 HETATM 90 C UNK 0 8.872 7.344 0.000 0.00 0.00 C+0 HETATM 91 C UNK 0 6.556 11.354 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 9.642 11.354 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 5.017 11.354 0.000 0.00 0.00 C+0 HETATM 94 O UNK 0 11.184 8.682 0.000 0.00 0.00 O+0 HETATM 95 C UNK 0 11.954 7.349 0.000 0.00 0.00 C+0 HETATM 96 O UNK 0 11.182 6.010 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 11.954 4.672 0.000 0.00 0.00 C+0 HETATM 98 C UNK 0 13.499 4.672 0.000 0.00 0.00 C+0 HETATM 99 C UNK 0 14.272 6.010 0.000 0.00 0.00 C+0 HETATM 100 C UNK 0 13.499 7.349 0.000 0.00 0.00 C+0 HETATM 101 C UNK 0 14.269 8.682 0.000 0.00 0.00 C+0 HETATM 102 C UNK 0 14.269 3.339 0.000 0.00 0.00 C+0 HETATM 103 C UNK 0 15.812 6.010 0.000 0.00 0.00 C+0 HETATM 104 C UNK 0 11.184 3.339 0.000 0.00 0.00 C+0 HETATM 105 C UNK 0 11.954 2.005 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 -4.241 8.682 0.000 0.00 0.00 C+0 HETATM 107 N ^NHAc 1 -6.277 0.949 0.000 0.00 0.00 N+0 HETATM 108 O ^NHAc 1 -4.391 -0.937 0.000 0.00 0.00 O+0 HETATM 109 C ^NHAc 1 -5.879 -0.539 0.000 0.00 0.00 C+0 HETATM 110 C ^NHAc 1 -6.967 -1.628 0.000 0.00 0.00 C+0 HETATM 111 N NHAc 2 8.590 6.292 0.000 0.00 0.00 N+0 HETATM 112 O NHAc 2 6.704 4.407 0.000 0.00 0.00 O+0 HETATM 113 C NHAc 2 8.191 4.805 0.000 0.00 0.00 C+0 HETATM 114 C NHAc 2 9.280 3.716 0.000 0.00 0.00 C+0 HETATM 115 N NHAc 3 -7.608 -8.400 0.000 0.00 0.00 N+0 HETATM 116 O NHAc 3 -9.495 -10.286 0.000 0.00 0.00 O+0 HETATM 117 C NHAc 3 -8.007 -9.888 0.000 0.00 0.00 C+0 HETATM 118 C NHAc 3 -6.918 -10.977 0.000 0.00 0.00 C+0 HETATM 119 N NHAc 4 2.805 -1.052 0.000 0.00 0.00 N+0 HETATM 120 O NHAc 4 2.115 -3.628 0.000 0.00 0.00 O+0 HETATM 121 C NHAc 4 3.203 -2.539 0.000 0.00 0.00 C+0 HETATM 122 C NHAc 4 4.691 -2.938 0.000 0.00 0.00 C+0 CONECT 1 2 6 9 CONECT 2 1 3 10 CONECT 3 2 4 12 CONECT 4 3 5 11 CONECT 5 4 6 CONECT 6 5 1 7 CONECT 7 6 8 CONECT 8 7 CONECT 9 1 CONECT 10 2 CONECT 11 4 13 CONECT 12 3 CONECT 13 11 14 18 CONECT 14 13 15 115 CONECT 15 14 16 22 CONECT 16 15 17 CONECT 17 16 18 20 CONECT 18 17 13 19 CONECT 19 18 CONECT 20 17 21 CONECT 21 20 CONECT 22 15 23 CONECT 23 22 24 28 CONECT 24 23 25 29 CONECT 25 24 26 31 CONECT 26 25 27 CONECT 27 26 28 38 CONECT 28 27 23 30 CONECT 29 24 CONECT 30 28 CONECT 31 25 32 CONECT 32 31 33 37 CONECT 33 32 34 62 CONECT 34 33 35 119 CONECT 35 34 36 64 CONECT 36 35 37 CONECT 37 36 32 61 CONECT 38 27 39 CONECT 39 38 40 CONECT 40 39 41 45 CONECT 41 40 42 CONECT 42 41 43 46 CONECT 43 42 44 48 CONECT 44 43 45 49 CONECT 45 44 40 107 CONECT 46 42 47 CONECT 47 46 CONECT 48 43 50 CONECT 49 44 CONECT 50 48 51 55 CONECT 51 50 52 CONECT 52 51 53 56 CONECT 53 52 54 57 CONECT 54 53 55 58 CONECT 55 54 50 59 CONECT 56 52 60 CONECT 57 53 CONECT 58 54 CONECT 59 55 CONECT 60 56 CONECT 61 37 63 CONECT 62 33 CONECT 63 61 CONECT 64 35 65 CONECT 65 64 66 CONECT 66 65 67 71 CONECT 67 66 68 72 CONECT 68 67 69 84 CONECT 69 68 70 73 CONECT 70 69 71 74 CONECT 71 70 66 CONECT 72 67 CONECT 73 69 CONECT 74 70 75 CONECT 75 74 76 80 CONECT 76 75 77 81 CONECT 77 76 78 83 CONECT 78 77 79 106 CONECT 79 78 80 CONECT 80 79 75 82 CONECT 81 76 CONECT 82 80 CONECT 83 77 CONECT 84 68 85 CONECT 85 84 86 90 CONECT 86 85 87 CONECT 87 86 88 91 CONECT 88 87 89 92 CONECT 89 88 90 94 CONECT 90 89 85 111 CONECT 91 87 93 CONECT 92 88 CONECT 93 91 CONECT 94 89 95 CONECT 95 94 96 100 CONECT 96 95 97 CONECT 97 96 98 104 CONECT 98 97 99 102 CONECT 99 98 100 103 CONECT 100 99 95 101 CONECT 101 100 CONECT 102 98 CONECT 103 99 CONECT 104 97 105 CONECT 105 104 CONECT 106 78 CONECT 107 109 45 CONECT 108 109 CONECT 109 107 108 110 CONECT 110 109 CONECT 111 113 90 CONECT 112 113 CONECT 113 111 112 114 CONECT 114 113 CONECT 115 117 14 CONECT 116 117 CONECT 117 115 116 118 CONECT 118 117 CONECT 119 121 34 CONECT 120 121 CONECT 121 119 120 122 CONECT 122 121 MASTER 0 0 0 0 0 0 0 0 122 0 262 0 END