Visualizador de moléculas: Cristales iónicos
Dióxido de titanio (rutilo)
HETATM 1 O 1 5.419 4.894 -2.881 HETATM 2 O 2 3.888 3.378 -2.700 HETATM 3 TI 3 4.684 3.931 -4.256 HETATM 4 O 4 5.359 5.306 0.047 HETATM 5 O 5 3.828 3.791 0.228 HETATM 6 TI 6 4.625 4.347 -1.325 HETATM 7 O 7 5.300 5.722 2.975 HETATM 8 O 8 3.772 4.203 3.159 HETATM 9 TI 9 4.569 4.759 1.600 HETATM 10 TI 10 2.359 1.862 -2.516 HETATM 11 TI 11 2.300 2.275 0.409 HETATM 12 TI 12 2.241 2.691 3.341 HETATM 13 O 13 3.150 0.897 -3.859 HETATM 14 O 14 3.094 1.313 -0.928 HETATM 15 O 15 3.034 1.725 2.000 HETATM 16 O 16 1.625 2.412 -4.103 HETATM 17 O 17 1.566 2.825 -1.172 HETATM 18 O 18 1.506 3.241 1.753 HETATM 19 O 19 5.412 0.347 -2.241 HETATM 20 O 20 3.881 -1.163 -2.059 HETATM 21 TI 21 4.678 -0.609 -3.616 HETATM 22 O 22 5.353 0.762 0.684 HETATM 23 O 23 3.822 -0.750 0.869 HETATM 24 TI 24 4.619 -0.197 -0.684 HETATM 25 O 25 5.294 1.175 3.616 HETATM 26 O 26 3.763 -0.338 3.797 HETATM 27 TI 27 4.559 0.213 2.244 HETATM 28 TI 28 2.350 -2.678 -1.875 HETATM 29 TI 29 2.291 -2.266 1.050 HETATM 30 TI 30 2.231 -1.853 3.981 HETATM 31 O 31 3.144 -3.644 -3.219 HETATM 32 O 32 3.084 -3.231 -0.287 HETATM 33 O 33 3.025 -2.819 2.638 HETATM 34 O 34 1.616 -2.128 -3.463 HETATM 35 O 35 1.556 -1.716 -0.531 HETATM 36 O 36 1.500 -1.303 2.394 HETATM 37 O 37 5.403 -4.194 -1.600 HETATM 38 O 38 3.875 -5.709 -1.419 HETATM 39 TI 39 4.672 -5.156 -2.975 HETATM 40 O 40 5.347 -3.781 1.325 HETATM 41 O 41 3.816 -5.297 1.509 HETATM 42 TI 42 4.613 -4.744 -0.044 HETATM 43 O 43 5.287 -3.369 4.256 HETATM 44 O 44 3.756 -4.884 4.441 HETATM 45 TI 45 4.553 -4.328 2.881 HETATM 46 O 46 0.831 4.887 -2.972 HETATM 47 O 47 -0.697 3.372 -2.791 HETATM 48 TI 48 0.097 3.925 -4.347 HETATM 49 O 49 0.772 5.300 -0.044 HETATM 50 O 50 -0.756 3.784 0.138 HETATM 51 TI 51 0.038 4.341 -1.419 HETATM 52 O 52 0.712 5.716 2.884 HETATM 53 O 53 -0.816 4.197 3.066 HETATM 54 TI 54 -0.019 4.753 1.509 HETATM 55 TI 55 -2.228 1.856 -2.609 HETATM 56 TI 56 -2.287 2.272 0.319 HETATM 57 TI 57 -2.347 2.684 3.250 HETATM 58 O 58 -1.434 0.894 -3.950 HETATM 59 O 59 -1.494 1.306 -1.022 HETATM 60 O 60 -1.553 1.719 1.906 HETATM 61 O 61 -2.963 2.406 -4.197 HETATM 62 O 62 -3.022 2.822 -1.266 HETATM 63 O 63 -3.078 3.234 1.663 HETATM 64 O 64 0.822 0.344 -2.334 HETATM 65 O 65 -0.706 -1.169 -2.150 HETATM 66 TI 66 0.091 -0.616 -3.706 HETATM 67 O 67 0.766 0.756 0.594 HETATM 68 O 68 -0.766 -0.756 0.775 HETATM 69 TI 69 0.031 -0.203 -0.775 HETATM 70 O 70 0.706 1.169 3.525 HETATM 71 O 71 -0.822 -0.344 3.706 HETATM 72 TI 72 -0.025 0.206 2.150 HETATM 73 TI 73 -2.234 -2.684 -1.969 HETATM 74 TI 74 -2.294 -2.272 0.959 HETATM 75 TI 75 -2.353 -1.859 3.891 HETATM 76 O 76 -1.444 -3.650 -3.309 HETATM 77 O 77 -1.500 -3.237 -0.381 HETATM 78 O 78 -1.559 -2.825 2.547 HETATM 79 O 79 -2.969 -2.134 -3.553 HETATM 80 O 80 -3.028 -1.722 -0.625 HETATM 81 O 81 -3.088 -1.309 2.303 HETATM 82 O 82 0.816 -4.197 -1.694 HETATM 83 O 83 -0.712 -5.716 -1.509 HETATM 84 TI 84 0.081 -5.159 -3.066 HETATM 85 O 85 0.756 -3.784 1.234 HETATM 86 O 86 -0.772 -5.300 1.419 HETATM 87 TI 87 0.025 -4.747 -0.138 HETATM 88 O 88 0.697 -3.372 4.166 HETATM 89 O 89 -0.831 -4.887 4.347 HETATM 90 TI 90 -0.031 -4.334 2.791 HETATM 91 O 91 -3.756 4.884 -3.066 HETATM 92 O 92 -5.287 3.369 -2.881 HETATM 93 TI 93 -4.491 3.922 -4.441 HETATM 94 O 94 -3.816 5.297 -0.134 HETATM 95 O 95 -5.347 3.781 0.044 HETATM 96 TI 96 -4.550 4.334 -1.509 HETATM 97 O 97 -3.875 5.709 2.794 HETATM 98 O 98 -5.403 4.194 2.975 HETATM 99 TI 99 -4.606 4.747 1.419 HETATM 100 O 100 -3.763 0.338 -2.425 HETATM 101 O 101 -5.294 -1.175 -2.244 HETATM 102 TI 102 -4.497 -0.622 -3.797 HETATM 103 O 103 -3.822 0.750 0.503 HETATM 104 O 104 -5.353 -0.762 0.684 HETATM 105 TI 105 -4.556 -0.209 -0.869 HETATM 106 O 106 -3.881 1.163 3.434 HETATM 107 O 107 -5.412 -0.347 3.616 HETATM 108 TI 108 -4.616 0.200 2.059 HETATM 109 O 109 -3.772 -4.203 -1.784 HETATM 110 O 110 -5.300 -5.722 -1.600 HETATM 111 TI 111 -4.503 -5.166 -3.159 HETATM 112 O 112 -3.828 -3.791 1.144 HETATM 113 O 113 -5.359 -5.306 1.325 HETATM 114 TI 114 -4.563 -4.753 -0.228 HETATM 115 O 115 -3.888 -3.378 4.072 HETATM 116 O 116 -5.419 -4.894 4.256 HETATM 117 TI 117 -4.622 -4.341 2.700 CONECT 1 3 6 CONECT 2 3 6 CONECT 3 1 2 CONECT 4 6 9 CONECT 5 6 9 CONECT 6 1 2 4 5 CONECT 7 9 CONECT 8 9 CONECT 9 4 5 7 8 CONECT 10 13 14 16 17 CONECT 11 14 15 17 18 CONECT 12 15 18 CONECT 13 10 CONECT 14 10 11 CONECT 15 11 12 CONECT 16 10 CONECT 17 10 11 CONECT 18 11 12 CONECT 19 21 24 CONECT 20 21 24 CONECT 21 19 20 CONECT 22 24 27 CONECT 23 24 27 CONECT 24 19 20 22 23 CONECT 25 27 CONECT 26 27 CONECT 27 22 23 25 26 CONECT 28 31 32 34 35 CONECT 29 32 33 35 36 CONECT 30 33 36 CONECT 31 28 CONECT 32 28 29 CONECT 33 29 30 CONECT 34 28 CONECT 35 28 29 CONECT 36 29 30 CONECT 37 39 42 CONECT 38 39 42 CONECT 39 37 38 CONECT 40 42 45 CONECT 41 42 45 CONECT 42 37 38 40 41 CONECT 43 45 CONECT 44 45 CONECT 45 40 41 43 44 CONECT 46 48 51 CONECT 47 48 51 CONECT 48 46 47 CONECT 49 51 54 CONECT 50 51 54 CONECT 51 46 47 49 50 CONECT 52 54 CONECT 53 54 CONECT 54 49 50 52 53 CONECT 55 58 59 61 62 CONECT 56 59 60 62 63 CONECT 57 60 63 CONECT 58 55 CONECT 59 55 56 CONECT 60 56 57 CONECT 61 55 CONECT 62 55 56 CONECT 63 56 57 CONECT 64 66 69 CONECT 65 66 69 CONECT 66 64 65 CONECT 67 69 72 CONECT 68 69 72 CONECT 69 64 65 67 68 CONECT 70 72 CONECT 71 72 CONECT 72 67 68 70 71 CONECT 73 76 77 79 80 CONECT 74 77 78 80 81 CONECT 75 78 81 CONECT 76 73 CONECT 77 73 74 CONECT 78 74 75 CONECT 79 73 CONECT 80 73 74 CONECT 81 74 75 CONECT 82 84 87 CONECT 83 84 87 CONECT 84 82 83 CONECT 85 87 90 CONECT 86 87 90 CONECT 87 82 83 85 86 CONECT 88 90 CONECT 89 90 CONECT 90 85 86 88 89 CONECT 91 93 96 CONECT 92 93 96 CONECT 93 91 92 CONECT 94 96 99 CONECT 95 96 99 CONECT 96 91 92 94 95 CONECT 97 99 CONECT 98 99 CONECT 99 94 95 97 98 CONECT 100 102 105 CONECT 101 102 105 CONECT 102 100 101 CONECT 103 105 108 CONECT 104 105 108 CONECT 105 100 101 103 104 CONECT 106 108 CONECT 107 108 CONECT 108 103 104 106 107 CONECT 109 111 114 CONECT 110 111 114 CONECT 111 109 110 CONECT 112 114 117 CONECT 113 114 117 CONECT 114 109 110 112 113 CONECT 115 117 CONECT 116 117 CONECT 117 112 113 115 116 END
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