TITLE Traj: positions{angstrom} Step: 0 Bead: 1 CRYST1 17.847 17.847 17.847 90.00 90.00 90.00 P 1 1 ATOM 1 H2 1 1 0.147 0.132 0.114 0.00 0.00 0 ATOM 2 H2 1 1 -0.125 2.943 3.188 0.00 0.00 0 ATOM 3 H2 1 1 3.042 2.937 0.107 0.00 0.00 0 ATOM 4 H2 1 1 2.976 -0.148 2.960 0.00 0.00 0 ATOM 5 H2 1 1 -0.229 -0.030 5.923 0.00 0.00 0 ATOM 6 H2 1 1 0.094 2.999 8.915 0.00 0.00 0 ATOM 7 H2 1 1 2.954 2.895 5.910 0.00 0.00 0 ATOM 8 H2 1 1 2.892 -0.155 8.870 0.00 0.00 0 ATOM 9 H2 1 1 -0.048 0.087 11.901 0.00 0.00 0 ATOM 10 H2 1 1 0.017 2.947 14.955 0.00 0.00 0 ATOM 11 H2 1 1 2.979 2.989 11.875 0.00 0.00 0 ATOM 12 H2 1 1 2.976 0.114 14.794 0.00 0.00 0 ATOM 13 H2 1 1 -0.053 5.852 -0.165 0.00 0.00 0 ATOM 14 H2 1 1 0.006 8.858 3.040 0.00 0.00 0 ATOM 15 H2 1 1 3.041 8.951 -0.096 0.00 0.00 0 ATOM 16 H2 1 1 3.007 5.879 2.876 0.00 0.00 0 ATOM 17 H2 1 1 0.057 5.910 6.036 0.00 0.00 0 ATOM 18 H2 1 1 -0.097 8.867 8.804 0.00 0.00 0 ATOM 19 H2 1 1 2.832 8.766 5.719 0.00 0.00 0 ATOM 20 H2 1 1 3.148 5.956 8.964 0.00 0.00 0 ATOM 21 H2 1 1 0.031 5.974 11.932 0.00 0.00 0 ATOM 22 H2 1 1 0.124 8.972 14.723 0.00 0.00 0 ATOM 23 H2 1 1 2.998 8.861 11.952 0.00 0.00 0 ATOM 24 H2 1 1 2.971 5.943 14.914 0.00 0.00 0 ATOM 25 H2 1 1 0.009 11.770 0.089 0.00 0.00 0 ATOM 26 H2 1 1 0.015 14.931 2.992 0.00 0.00 0 ATOM 27 H2 1 1 2.924 14.889 0.062 0.00 0.00 0 ATOM 28 H2 1 1 2.832 11.918 3.162 0.00 0.00 0 ATOM 29 H2 1 1 -0.097 11.885 6.105 0.00 0.00 0 ATOM 30 H2 1 1 0.169 14.731 8.889 0.00 0.00 0 ATOM 31 H2 1 1 2.877 14.750 5.921 0.00 0.00 0 ATOM 32 H2 1 1 3.078 12.038 8.936 0.00 0.00 0 ATOM 33 H2 1 1 0.019 12.011 11.885 0.00 0.00 0 ATOM 34 H2 1 1 0.139 14.848 14.841 0.00 0.00 0 ATOM 35 H2 1 1 2.904 14.835 12.020 0.00 0.00 0 ATOM 36 H2 1 1 3.083 12.013 14.942 0.00 0.00 0 ATOM 37 H2 1 1 6.042 0.051 -0.122 0.00 0.00 0 ATOM 38 H2 1 1 5.911 2.957 2.811 0.00 0.00 0 ATOM 39 H2 1 1 8.949 3.111 0.013 0.00 0.00 0 ATOM 40 H2 1 1 8.991 -0.010 2.794 0.00 0.00 0 ATOM 41 H2 1 1 6.061 0.042 6.018 0.00 0.00 0 ATOM 42 H2 1 1 6.156 3.002 8.708 0.00 0.00 0 ATOM 43 H2 1 1 8.922 3.069 5.909 0.00 0.00 0 ATOM 44 H2 1 1 8.988 0.132 9.006 0.00 0.00 0 ATOM 45 H2 1 1 5.916 0.157 11.936 0.00 0.00 0 ATOM 46 H2 1 1 6.011 2.841 14.909 0.00 0.00 0 ATOM 47 H2 1 1 8.974 2.990 11.906 0.00 0.00 0 ATOM 48 H2 1 1 8.946 -0.012 14.762 0.00 0.00 0 ATOM 49 H2 1 1 5.871 5.856 -0.119 0.00 0.00 0 ATOM 50 H2 1 1 6.164 8.843 3.017 0.00 0.00 0 ATOM 51 H2 1 1 9.193 8.762 0.076 0.00 0.00 0 ATOM 52 H2 1 1 8.834 5.965 2.835 0.00 0.00 0 ATOM 53 H2 1 1 5.987 6.003 5.941 0.00 0.00 0 ATOM 54 H2 1 1 5.977 8.974 8.839 0.00 0.00 0 ATOM 55 H2 1 1 9.025 8.846 6.022 0.00 0.00 0 ATOM 56 H2 1 1 8.848 5.694 9.143 0.00 0.00 0 ATOM 57 H2 1 1 5.924 6.032 11.865 0.00 0.00 0 ATOM 58 H2 1 1 6.019 8.827 14.866 0.00 0.00 0 ATOM 59 H2 1 1 8.835 9.076 11.941 0.00 0.00 0 ATOM 60 H2 1 1 8.891 6.039 14.895 0.00 0.00 0 ATOM 61 H2 1 1 5.856 11.998 0.105 0.00 0.00 0 ATOM 62 H2 1 1 5.828 14.783 2.903 0.00 0.00 0 ATOM 63 H2 1 1 8.942 14.899 -0.042 0.00 0.00 0 ATOM 64 H2 1 1 8.930 11.966 3.015 0.00 0.00 0 ATOM 65 H2 1 1 6.073 11.865 5.912 0.00 0.00 0 ATOM 66 H2 1 1 6.031 14.891 8.979 0.00 0.00 0 ATOM 67 H2 1 1 8.972 14.858 5.883 0.00 0.00 0 ATOM 68 H2 1 1 8.957 11.835 8.967 0.00 0.00 0 ATOM 69 H2 1 1 5.966 11.882 12.044 0.00 0.00 0 ATOM 70 H2 1 1 5.947 14.705 14.774 0.00 0.00 0 ATOM 71 H2 1 1 8.876 14.853 11.951 0.00 0.00 0 ATOM 72 H2 1 1 8.992 11.917 14.929 0.00 0.00 0 ATOM 73 H2 1 1 11.946 0.088 -0.028 0.00 0.00 0 ATOM 74 H2 1 1 11.829 3.081 3.117 0.00 0.00 0 ATOM 75 H2 1 1 15.004 3.033 -0.008 0.00 0.00 0 ATOM 76 H2 1 1 14.828 0.120 3.029 0.00 0.00 0 ATOM 77 H2 1 1 11.906 0.017 5.995 0.00 0.00 0 ATOM 78 H2 1 1 11.873 2.916 9.016 0.00 0.00 0 ATOM 79 H2 1 1 14.907 3.062 5.960 0.00 0.00 0 ATOM 80 H2 1 1 14.948 -0.122 8.864 0.00 0.00 0 ATOM 81 H2 1 1 11.869 -0.118 11.930 0.00 0.00 0 ATOM 82 H2 1 1 11.932 2.863 14.979 0.00 0.00 0 ATOM 83 H2 1 1 14.835 2.976 12.018 0.00 0.00 0 ATOM 84 H2 1 1 14.852 -0.218 14.783 0.00 0.00 0 ATOM 85 H2 1 1 11.892 5.990 0.058 0.00 0.00 0 ATOM 86 H2 1 1 11.816 8.684 2.936 0.00 0.00 0 ATOM 87 H2 1 1 14.958 8.876 -0.055 0.00 0.00 0 ATOM 88 H2 1 1 14.840 6.061 2.916 0.00 0.00 0 ATOM 89 H2 1 1 11.911 5.971 5.726 0.00 0.00 0 ATOM 90 H2 1 1 11.921 8.947 8.915 0.00 0.00 0 ATOM 91 H2 1 1 15.032 8.972 5.831 0.00 0.00 0 ATOM 92 H2 1 1 14.699 5.889 8.931 0.00 0.00 0 ATOM 93 H2 1 1 11.765 5.844 11.846 0.00 0.00 0 ATOM 94 H2 1 1 11.983 8.755 14.933 0.00 0.00 0 ATOM 95 H2 1 1 14.840 8.926 11.947 0.00 0.00 0 ATOM 96 H2 1 1 14.976 5.712 14.771 0.00 0.00 0 ATOM 97 H2 1 1 11.824 11.871 -0.007 0.00 0.00 0 ATOM 98 H2 1 1 11.894 14.840 2.771 0.00 0.00 0 ATOM 99 H2 1 1 15.039 14.928 0.021 0.00 0.00 0 ATOM 100 H2 1 1 14.876 11.851 2.910 0.00 0.00 0 ATOM 101 H2 1 1 11.785 11.934 6.071 0.00 0.00 0 ATOM 102 H2 1 1 11.937 14.681 8.929 0.00 0.00 0 ATOM 103 H2 1 1 14.935 14.902 5.873 0.00 0.00 0 ATOM 104 H2 1 1 14.882 11.944 9.007 0.00 0.00 0 ATOM 105 H2 1 1 11.941 11.956 11.877 0.00 0.00 0 ATOM 106 H2 1 1 11.791 14.900 14.955 0.00 0.00 0 ATOM 107 H2 1 1 14.838 14.947 11.831 0.00 0.00 0 ATOM 108 H2 1 1 14.891 12.005 15.050 0.00 0.00 0 END