CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1 ATOM 1 C X 1 20.922 10.404 14.849 0.00 0.00 C ATOM 2 C X 1 21.218 11.463 15.912 0.00 0.00 C ATOM 3 H X 1 22.167 11.272 16.414 0.00 0.00 H ATOM 4 H X 1 21.266 12.460 15.475 0.00 0.00 H ATOM 5 H X 1 20.434 11.468 16.671 0.00 0.00 H ATOM 6 C X 1 19.508 10.760 10.019 0.00 0.00 C ATOM 7 C X 1 19.333 11.681 11.201 0.00 0.00 C ATOM 8 O X 1 18.713 11.273 12.224 0.00 0.00 O ATOM 9 O X 1 19.796 12.851 11.100 0.00 0.00 O ATOM 10 C X 1 10.977 13.036 23.261 0.00 0.00 C ATOM 11 C X 1 10.732 13.810 21.993 0.00 0.00 C ATOM 12 C X 1 9.449 14.279 21.676 0.00 0.00 C ATOM 13 H X 1 8.626 14.056 22.344 0.00 0.00 H ATOM 14 C X 1 9.206 15.011 20.526 0.00 0.00 C ATOM 15 H X 1 8.208 15.357 20.294 0.00 0.00 H ATOM 16 C X 1 10.258 15.297 19.644 0.00 0.00 C ATOM 17 O X 1 10.064 15.979 18.493 0.00 0.00 O ATOM 18 H X 1 8.941 16.957 18.446 0.00 0.00 H ATOM 19 C X 1 11.550 14.847 19.948 0.00 0.00 C ATOM 20 H X 1 12.361 15.105 19.281 0.00 0.00 H ATOM 21 C X 1 11.772 14.114 21.103 0.00 0.00 C ATOM 22 H X 1 12.776 13.780 21.329 0.00 0.00 H ATOM 23 N X 1 16.223 7.850 17.065 0.00 0.00 N ATOM 24 C X 1 17.247 8.768 16.544 0.00 0.00 C ATOM 25 H X 1 18.211 8.550 17.008 0.00 0.00 H ATOM 26 C X 1 17.414 8.624 15.027 0.00 0.00 C ATOM 27 H X 1 18.052 9.417 14.642 0.00 0.00 H ATOM 28 H X 1 17.893 7.663 14.816 0.00 0.00 H ATOM 29 O X 1 16.114 8.656 14.429 0.00 0.00 O ATOM 30 H X 1 16.177 9.065 13.543 0.00 0.00 H ATOM 31 C X 1 16.938 10.229 16.917 0.00 0.00 C ATOM 32 O X 1 17.744 11.134 16.613 0.00 0.00 O ATOM 33 N X 1 15.792 10.420 17.568 0.00 0.00 N ATOM 34 H X 1 15.320 9.548 17.795 0.00 0.00 H ATOM 35 C X 1 15.242 11.705 17.990 0.00 0.00 C ATOM 36 C X 1 13.863 11.990 17.388 0.00 0.00 C ATOM 37 H X 1 13.182 11.148 17.525 0.00 0.00 H ATOM 38 H X 1 13.410 12.827 17.926 0.00 0.00 H ATOM 39 C X 1 13.816 12.396 15.924 0.00 0.00 C ATOM 40 O X 1 12.699 12.613 15.382 0.00 0.00 O ATOM 41 O X 1 14.941 12.505 15.341 0.00 0.00 O ATOM 42 C X 1 21.436 18.365 16.430 0.00 0.00 C ATOM 43 O X 1 20.909 17.248 16.449 0.00 0.00 O ATOM 44 N X 1 21.441 19.187 15.376 0.00 0.00 N ATOM 45 H X 1 20.957 18.945 14.504 0.00 0.00 H ATOM 46 H X 1 21.908 20.077 15.437 0.00 0.00 H ATOM 47 C X 1 9.728 19.890 15.466 0.00 0.00 C ATOM 48 C X 1 10.346 19.932 14.070 0.00 0.00 C ATOM 49 H X 1 9.589 19.948 13.287 0.00 0.00 H ATOM 50 H X 1 10.942 20.839 13.934 0.00 0.00 H ATOM 51 C X 1 11.279 18.773 13.789 0.00 0.00 C ATOM 52 O X 1 11.815 18.140 14.709 0.00 0.00 O ATOM 53 O X 1 11.471 18.541 12.518 0.00 0.00 O ATOM 54 C X 1 7.624 21.254 19.865 0.00 0.00 C ATOM 55 C X 1 7.695 19.882 19.292 0.00 0.00 C ATOM 56 N X 1 6.620 19.257 18.676 0.00 0.00 N ATOM 57 H X 1 5.699 19.647 18.553 0.00 0.00 H ATOM 58 C X 1 7.014 18.021 18.268 0.00 0.00 C ATOM 59 H X 1 6.382 17.330 17.737 0.00 0.00 H ATOM 60 N X 1 8.272 17.825 18.593 0.00 0.00 N ATOM 61 C X 1 8.708 18.971 19.225 0.00 0.00 C ATOM 62 H X 1 9.721 19.056 19.581 0.00 0.00 H ATOM 63 C X 1 17.071 20.245 11.178 0.00 0.00 C ATOM 64 C X 1 15.741 19.620 10.948 0.00 0.00 C ATOM 65 N X 1 14.773 20.185 10.122 0.00 0.00 N ATOM 66 H X 1 14.881 21.043 9.602 0.00 0.00 H ATOM 67 C X 1 13.660 19.417 10.152 0.00 0.00 C ATOM 68 H X 1 12.748 19.627 9.623 0.00 0.00 H ATOM 69 N X 1 13.862 18.385 10.952 0.00 0.00 N ATOM 70 C X 1 15.151 18.500 11.452 0.00 0.00 C ATOM 71 H X 1 15.528 17.790 12.164 0.00 0.00 H ATOM 72 C X 1 17.900 15.890 9.449 0.00 0.00 C ATOM 73 C X 1 18.030 15.485 10.912 0.00 0.00 C ATOM 74 H X 1 18.879 14.818 11.054 0.00 0.00 H ATOM 75 H X 1 18.244 16.351 11.543 0.00 0.00 H ATOM 76 C X 1 16.844 14.774 11.513 0.00 0.00 C ATOM 77 O X 1 15.766 14.625 10.853 0.00 0.00 O ATOM 78 O X 1 17.019 14.347 12.699 0.00 0.00 O ATOM 79 C X 1 12.891 15.648 4.483 0.00 0.00 C ATOM 80 C X 1 13.297 15.668 5.918 0.00 0.00 C ATOM 81 N X 1 14.630 15.729 6.313 0.00 0.00 N ATOM 82 C X 1 14.708 15.715 7.654 0.00 0.00 C ATOM 83 H X 1 15.611 15.718 8.238 0.00 0.00 H ATOM 84 N X 1 13.481 15.660 8.138 0.00 0.00 N ATOM 85 H X 1 13.266 15.611 9.207 0.00 0.00 H ATOM 86 C X 1 12.587 15.625 7.080 0.00 0.00 C ATOM 87 H X 1 11.529 15.544 7.247 0.00 0.00 H ATOM 88 C X 1 9.305 17.596 8.794 0.00 0.00 C ATOM 89 C X 1 10.385 16.909 9.585 0.00 0.00 C ATOM 90 O X 1 10.322 15.647 9.710 0.00 0.00 O ATOM 91 O X 1 11.310 17.621 10.086 0.00 0.00 O ATOM 92 C X 1 7.789 13.082 12.732 0.00 0.00 C ATOM 93 C X 1 7.438 12.163 13.902 0.00 0.00 C ATOM 94 H X 1 7.780 12.578 14.849 0.00 0.00 H ATOM 95 H X 1 6.363 12.002 13.963 0.00 0.00 H ATOM 96 H X 1 7.905 11.182 13.792 0.00 0.00 H ATOM 97 C X 1 9.250 13.498 12.687 0.00 0.00 C ATOM 98 O X 1 9.899 13.642 13.739 0.00 0.00 O ATOM 99 O X 1 9.699 13.702 11.490 0.00 0.00 O ATOM 100 C X 1 11.646 10.647 8.163 0.00 0.00 C ATOM 101 C X 1 12.749 11.709 8.048 0.00 0.00 C ATOM 102 C X 1 12.749 12.688 9.204 0.00 0.00 C ATOM 103 O X 1 11.662 13.296 9.459 0.00 0.00 O ATOM 104 O X 1 13.839 12.872 9.835 0.00 0.00 O ATOM 105 C X 1 11.020 5.655 12.158 0.00 0.00 C ATOM 106 C X 1 10.053 6.829 11.990 0.00 0.00 C ATOM 107 C X 1 10.378 8.058 12.841 0.00 0.00 C ATOM 108 H X 1 9.566 8.782 12.739 0.00 0.00 H ATOM 109 H X 1 10.455 7.782 13.895 0.00 0.00 H ATOM 110 N X 1 11.642 8.675 12.417 0.00 0.00 N ATOM 111 H X 1 12.106 8.281 11.614 0.00 0.00 H ATOM 112 C X 1 12.187 9.791 12.942 0.00 0.00 C ATOM 113 N X 1 11.510 10.509 13.839 0.00 0.00 N ATOM 114 H X 1 10.508 10.441 13.896 0.00 0.00 H ATOM 115 H X 1 11.949 11.310 14.305 0.00 0.00 H ATOM 116 N X 1 13.409 10.156 12.580 0.00 0.00 N ATOM 117 H X 1 14.035 9.508 12.125 0.00 0.00 H ATOM 118 H X 1 13.792 11.102 12.726 0.00 0.00 H ATOM 119 O X 1 11.184 15.837 12.301 0.00 0.00 O ATOM 120 Ca X 1 12.160 14.711 14.253 0.00 0.00 CA ATOM 121 Mn X 1 12.421 17.070 11.716 0.00 0.00 MN ATOM 122 O X 1 12.356 13.407 12.088 0.00 0.00 O ATOM 123 Mn X 1 11.376 14.530 11.029 0.00 0.00 MN ATOM 124 O X 1 13.036 15.456 10.721 0.00 0.00 O ATOM 125 Mn X 1 14.092 13.827 11.635 0.00 0.00 MN ATOM 126 O X 1 14.997 12.448 12.424 0.00 0.00 O ATOM 127 Mn X 1 15.753 13.492 13.893 0.00 0.00 MN ATOM 128 O X 1 13.480 16.868 13.136 0.00 0.00 O ATOM 129 O X 1 13.635 15.634 15.837 0.00 0.00 O ATOM 130 O X 1 14.389 14.524 13.289 0.00 0.00 O ATOM 131 O X 1 16.217 14.750 15.191 0.00 0.00 O ATOM 132 O X 1 17.243 12.186 14.172 0.00 0.00 O ATOM 133 H X 1 14.596 15.581 15.647 0.00 0.00 H ATOM 134 H X 1 13.430 16.370 16.472 0.00 0.00 H ATOM 135 H X 1 13.074 17.315 13.921 0.00 0.00 H ATOM 136 H X 1 17.947 12.035 13.483 0.00 0.00 H ATOM 137 H X 1 16.949 15.344 14.906 0.00 0.00 H ATOM 138 H X 1 17.536 11.915 15.074 0.00 0.00 H ATOM 139 H X 1 15.426 15.747 5.691 0.00 0.00 H ATOM 140 Cl X 1 19.761 18.517 12.676 0.00 0.00 CL ATOM 141 O X 1 10.492 15.298 15.912 0.00 0.00 O ATOM 142 H X 1 9.892 14.543 15.889 0.00 0.00 H ATOM 143 H X 1 10.529 15.600 16.850 0.00 0.00 H ATOM 144 O X 1 7.097 16.011 15.145 0.00 0.00 O ATOM 145 H X 1 6.799 15.096 15.200 0.00 0.00 H ATOM 146 H X 1 8.061 15.964 15.067 0.00 0.00 H ATOM 147 O X 1 16.287 10.068 11.969 0.00 0.00 O ATOM 148 H X 1 17.247 10.286 12.014 0.00 0.00 H ATOM 149 H X 1 15.871 10.948 12.135 0.00 0.00 H ATOM 150 O X 1 12.780 17.580 17.413 0.00 0.00 O ATOM 151 H X 1 13.488 17.833 18.051 0.00 0.00 H ATOM 152 H X 1 12.639 18.277 16.759 0.00 0.00 H ATOM 153 O X 1 14.804 17.608 19.166 0.00 0.00 O ATOM 154 H X 1 15.414 18.342 19.298 0.00 0.00 H ATOM 155 H X 1 15.357 16.858 18.820 0.00 0.00 H ATOM 156 O X 1 18.832 13.122 18.451 0.00 0.00 O ATOM 157 H X 1 19.709 12.739 18.569 0.00 0.00 H ATOM 158 H X 1 18.409 12.564 17.770 0.00 0.00 H ATOM 159 O X 1 16.289 15.587 18.108 0.00 0.00 O ATOM 160 H X 1 16.186 15.338 17.172 0.00 0.00 H ATOM 161 H X 1 17.251 15.763 18.197 0.00 0.00 H ATOM 162 O X 1 16.019 10.855 9.186 0.00 0.00 O ATOM 163 H X 1 15.591 11.689 9.434 0.00 0.00 H ATOM 164 H X 1 16.094 10.378 10.032 0.00 0.00 H ATOM 165 O X 1 21.266 14.721 14.354 0.00 0.00 O ATOM 166 H X 1 21.448 15.452 14.960 0.00 0.00 H ATOM 167 H X 1 20.398 14.941 13.989 0.00 0.00 H ATOM 168 O X 1 18.446 16.522 14.708 0.00 0.00 O ATOM 169 H X 1 19.004 16.696 15.482 0.00 0.00 H ATOM 170 H X 1 18.799 17.124 14.021 0.00 0.00 H ATOM 171 O X 1 19.065 15.918 18.130 0.00 0.00 O ATOM 172 H X 1 19.205 14.953 18.112 0.00 0.00 H ATOM 173 H X 1 19.823 16.346 17.692 0.00 0.00 H ATOM 174 O X 1 7.515 20.303 9.798 0.00 0.00 O ATOM 175 H X 1 6.561 20.446 9.759 0.00 0.00 H ATOM 176 H X 1 7.903 21.183 9.873 0.00 0.00 H ATOM 177 H X 1 8.594 21.529 20.273 0.00 0.00 H ATOM 178 H X 1 6.894 21.319 20.674 0.00 0.00 H ATOM 179 H X 1 7.358 21.997 19.111 0.00 0.00 H ATOM 180 H X 1 11.911 12.476 23.221 0.00 0.00 H ATOM 181 H X 1 10.169 12.332 23.464 0.00 0.00 H ATOM 182 H X 1 11.039 13.704 24.126 0.00 0.00 H ATOM 183 H X 1 21.716 10.353 14.102 0.00 0.00 H ATOM 184 H X 1 20.003 10.629 14.311 0.00 0.00 H ATOM 185 H X 1 20.817 9.407 15.284 0.00 0.00 H ATOM 186 H X 1 20.297 11.104 9.356 0.00 0.00 H ATOM 187 H X 1 18.563 10.738 9.471 0.00 0.00 H ATOM 188 H X 1 19.727 9.758 10.384 0.00 0.00 H ATOM 189 H X 1 8.640 16.868 8.340 0.00 0.00 H ATOM 190 H X 1 9.736 18.245 8.032 0.00 0.00 H ATOM 191 H X 1 8.732 18.245 9.460 0.00 0.00 H ATOM 192 H X 1 13.211 16.552 3.960 0.00 0.00 H ATOM 193 H X 1 11.809 15.579 4.395 0.00 0.00 H ATOM 194 H X 1 13.321 14.793 3.956 0.00 0.00 H ATOM 195 H X 1 12.597 12.292 7.135 0.00 0.00 H ATOM 196 H X 1 13.733 11.249 7.993 0.00 0.00 H ATOM 197 H X 1 10.661 11.104 8.227 0.00 0.00 H ATOM 198 H X 1 11.792 10.032 9.052 0.00 0.00 H ATOM 199 H X 1 11.666 9.986 7.297 0.00 0.00 H ATOM 200 H X 1 9.045 6.511 12.262 0.00 0.00 H ATOM 201 H X 1 9.994 7.131 10.940 0.00 0.00 H ATOM 202 H X 1 11.054 5.316 13.194 0.00 0.00 H ATOM 203 H X 1 12.040 5.903 11.861 0.00 0.00 H ATOM 204 H X 1 10.706 4.811 11.544 0.00 0.00 H ATOM 205 H X 1 21.951 18.765 17.314 0.00 0.00 H ATOM 206 H X 1 9.114 19.000 15.598 0.00 0.00 H ATOM 207 H X 1 9.098 20.764 15.630 0.00 0.00 H ATOM 208 H X 1 10.493 19.871 16.238 0.00 0.00 H ATOM 209 H X 1 7.519 12.642 11.773 0.00 0.00 H ATOM 210 H X 1 7.222 14.017 12.800 0.00 0.00 H ATOM 211 H X 1 17.675 15.027 8.821 0.00 0.00 H ATOM 212 H X 1 18.840 16.317 9.099 0.00 0.00 H ATOM 213 H X 1 17.129 16.650 9.315 0.00 0.00 H ATOM 214 H X 1 15.159 11.710 19.078 0.00 0.00 H ATOM 215 H X 1 15.949 12.482 17.717 0.00 0.00 H ATOM 216 H X 1 16.636 7.031 17.491 0.00 0.00 H ATOM 217 H X 1 15.620 7.551 16.305 0.00 0.00 H ATOM 218 H X 1 17.594 20.447 10.242 0.00 0.00 H ATOM 219 H X 1 17.713 19.590 11.767 0.00 0.00 H ATOM 220 H X 1 16.978 21.189 11.720 0.00 0.00 H END ATOM 1 C X 1 20.923 10.397 14.846 0.00 0.00 C ATOM 2 C X 1 21.221 11.452 15.911 0.00 0.00 C ATOM 3 H X 1 22.193 11.289 16.377 0.00 0.00 H ATOM 4 H X 1 21.220 12.457 15.488 0.00 0.00 H ATOM 5 H X 1 20.465 11.419 16.697 0.00 0.00 H ATOM 6 C X 1 19.501 10.762 10.021 0.00 0.00 C ATOM 7 C X 1 19.309 11.681 11.200 0.00 0.00 C ATOM 8 O X 1 18.661 11.269 12.204 0.00 0.00 O ATOM 9 O X 1 19.789 12.845 11.118 0.00 0.00 O ATOM 10 C X 1 10.981 13.041 23.262 0.00 0.00 C ATOM 11 C X 1 10.714 13.803 21.991 0.00 0.00 C ATOM 12 C X 1 9.417 14.230 21.672 0.00 0.00 C ATOM 13 H X 1 8.599 13.983 22.338 0.00 0.00 H ATOM 14 C X 1 9.153 14.947 20.518 0.00 0.00 C ATOM 15 H X 1 8.146 15.261 20.279 0.00 0.00 H ATOM 16 C X 1 10.197 15.260 19.634 0.00 0.00 C ATOM 17 O X 1 9.976 15.923 18.475 0.00 0.00 O ATOM 18 H X 1 8.832 16.911 18.439 0.00 0.00 H ATOM 19 C X 1 11.504 14.855 19.943 0.00 0.00 C ATOM 20 H X 1 12.307 15.141 19.278 0.00 0.00 H ATOM 21 C X 1 11.746 14.137 21.103 0.00 0.00 C ATOM 22 H X 1 12.761 13.837 21.335 0.00 0.00 H ATOM 23 N X 1 16.234 7.850 17.084 0.00 0.00 N ATOM 24 C X 1 17.249 8.766 16.541 0.00 0.00 C ATOM 25 H X 1 18.217 8.559 17.004 0.00 0.00 H ATOM 26 C X 1 17.408 8.611 15.026 0.00 0.00 C ATOM 27 H X 1 18.046 9.402 14.637 0.00 0.00 H ATOM 28 H X 1 17.882 7.648 14.815 0.00 0.00 H ATOM 29 O X 1 16.104 8.650 14.434 0.00 0.00 O ATOM 30 H X 1 16.167 9.049 13.544 0.00 0.00 H ATOM 31 C X 1 16.937 10.231 16.894 0.00 0.00 C ATOM 32 O X 1 17.731 11.135 16.560 0.00 0.00 O ATOM 33 N X 1 15.804 10.425 17.567 0.00 0.00 N ATOM 34 H X 1 15.340 9.553 17.809 0.00 0.00 H ATOM 35 C X 1 15.250 11.710 17.984 0.00 0.00 C ATOM 36 C X 1 13.873 11.997 17.376 0.00 0.00 C ATOM 37 H X 1 13.188 11.157 17.513 0.00 0.00 H ATOM 38 H X 1 13.420 12.833 17.914 0.00 0.00 H ATOM 39 C X 1 13.828 12.402 15.910 0.00 0.00 C ATOM 40 O X 1 12.703 12.620 15.380 0.00 0.00 O ATOM 41 O X 1 14.947 12.509 15.316 0.00 0.00 O ATOM 42 C X 1 21.443 18.351 16.399 0.00 0.00 C ATOM 43 O X 1 20.899 17.242 16.454 0.00 0.00 O ATOM 44 N X 1 21.443 19.149 15.328 0.00 0.00 N ATOM 45 H X 1 20.948 18.892 14.466 0.00 0.00 H ATOM 46 H X 1 21.941 20.024 15.354 0.00 0.00 H ATOM 47 C X 1 9.740 19.902 15.464 0.00 0.00 C ATOM 48 C X 1 10.364 19.941 14.071 0.00 0.00 C ATOM 49 H X 1 9.609 19.964 13.286 0.00 0.00 H ATOM 50 H X 1 10.966 20.846 13.938 0.00 0.00 H ATOM 51 C X 1 11.290 18.771 13.794 0.00 0.00 C ATOM 52 O X 1 11.815 18.132 14.713 0.00 0.00 O ATOM 53 O X 1 11.480 18.538 12.519 0.00 0.00 O ATOM 54 C X 1 7.641 21.261 19.862 0.00 0.00 C ATOM 55 C X 1 7.675 19.881 19.304 0.00 0.00 C ATOM 56 N X 1 6.567 19.256 18.750 0.00 0.00 N ATOM 57 H X 1 5.643 19.652 18.669 0.00 0.00 H ATOM 58 C X 1 6.928 18.007 18.356 0.00 0.00 C ATOM 59 H X 1 6.260 17.314 17.874 0.00 0.00 H ATOM 60 N X 1 8.197 17.800 18.627 0.00 0.00 N ATOM 61 C X 1 8.674 18.956 19.211 0.00 0.00 C ATOM 62 H X 1 9.704 19.041 19.513 0.00 0.00 H ATOM 63 C X 1 17.079 20.244 11.173 0.00 0.00 C ATOM 64 C X 1 15.751 19.614 10.943 0.00 0.00 C ATOM 65 N X 1 14.786 20.170 10.107 0.00 0.00 N ATOM 66 H X 1 14.889 21.026 9.585 0.00 0.00 H ATOM 67 C X 1 13.672 19.403 10.147 0.00 0.00 C ATOM 68 H X 1 12.759 19.607 9.619 0.00 0.00 H ATOM 69 N X 1 13.873 18.381 10.958 0.00 0.00 N ATOM 70 C X 1 15.160 18.500 11.459 0.00 0.00 C ATOM 71 H X 1 15.536 17.798 12.179 0.00 0.00 H ATOM 72 C X 1 17.909 15.904 9.430 0.00 0.00 C ATOM 73 C X 1 18.045 15.490 10.887 0.00 0.00 C ATOM 74 H X 1 18.878 14.801 11.021 0.00 0.00 H ATOM 75 H X 1 18.286 16.348 11.522 0.00 0.00 H ATOM 76 C X 1 16.846 14.807 11.494 0.00 0.00 C ATOM 77 O X 1 15.755 14.688 10.852 0.00 0.00 O ATOM 78 O X 1 17.031 14.367 12.673 0.00 0.00 O ATOM 79 C X 1 12.892 15.642 4.486 0.00 0.00 C ATOM 80 C X 1 13.298 15.651 5.921 0.00 0.00 C ATOM 81 N X 1 14.632 15.690 6.317 0.00 0.00 N ATOM 82 C X 1 14.709 15.688 7.658 0.00 0.00 C ATOM 83 H X 1 15.611 15.690 8.243 0.00 0.00 H ATOM 84 N X 1 13.481 15.657 8.141 0.00 0.00 N ATOM 85 H X 1 13.267 15.611 9.210 0.00 0.00 H ATOM 86 C X 1 12.587 15.627 7.084 0.00 0.00 C ATOM 87 H X 1 11.528 15.562 7.249 0.00 0.00 H ATOM 88 C X 1 9.329 17.606 8.800 0.00 0.00 C ATOM 89 C X 1 10.405 16.906 9.583 0.00 0.00 C ATOM 90 O X 1 10.320 15.646 9.718 0.00 0.00 O ATOM 91 O X 1 11.348 17.604 10.070 0.00 0.00 O ATOM 92 C X 1 7.781 13.086 12.731 0.00 0.00 C ATOM 93 C X 1 7.435 12.127 13.868 0.00 0.00 C ATOM 94 H X 1 7.790 12.507 14.824 0.00 0.00 H ATOM 95 H X 1 6.359 11.971 13.937 0.00 0.00 H ATOM 96 H X 1 7.894 11.148 13.717 0.00 0.00 H ATOM 97 C X 1 9.249 13.477 12.688 0.00 0.00 C ATOM 98 O X 1 9.907 13.575 13.741 0.00 0.00 O ATOM 99 O X 1 9.696 13.708 11.495 0.00 0.00 O ATOM 100 C X 1 11.643 10.654 8.168 0.00 0.00 C ATOM 101 C X 1 12.753 11.708 8.065 0.00 0.00 C ATOM 102 C X 1 12.747 12.685 9.221 0.00 0.00 C ATOM 103 O X 1 11.661 13.299 9.466 0.00 0.00 O ATOM 104 O X 1 13.833 12.861 9.858 0.00 0.00 O ATOM 105 C X 1 11.009 5.663 12.158 0.00 0.00 C ATOM 106 C X 1 10.040 6.839 12.011 0.00 0.00 C ATOM 107 C X 1 10.373 8.058 12.872 0.00 0.00 C ATOM 108 H X 1 9.556 8.779 12.791 0.00 0.00 H ATOM 109 H X 1 10.467 7.771 13.922 0.00 0.00 H ATOM 110 N X 1 11.624 8.691 12.435 0.00 0.00 N ATOM 111 H X 1 12.104 8.286 11.646 0.00 0.00 H ATOM 112 C X 1 12.167 9.804 12.967 0.00 0.00 C ATOM 113 N X 1 11.490 10.513 13.871 0.00 0.00 N ATOM 114 H X 1 10.486 10.458 13.914 0.00 0.00 H ATOM 115 H X 1 11.925 11.320 14.330 0.00 0.00 H ATOM 116 N X 1 13.388 10.176 12.602 0.00 0.00 N ATOM 117 H X 1 14.023 9.530 12.158 0.00 0.00 H ATOM 118 H X 1 13.767 11.120 12.757 0.00 0.00 H ATOM 119 O X 1 11.191 15.838 12.310 0.00 0.00 O ATOM 120 Ca X 1 12.162 14.699 14.248 0.00 0.00 CA ATOM 121 Mn X 1 12.426 17.071 11.720 0.00 0.00 MN ATOM 122 O X 1 12.356 13.405 12.093 0.00 0.00 O ATOM 123 Mn X 1 11.376 14.529 11.033 0.00 0.00 MN ATOM 124 O X 1 13.037 15.446 10.725 0.00 0.00 O ATOM 125 Mn X 1 14.090 13.831 11.632 0.00 0.00 MN ATOM 126 O X 1 15.026 12.460 12.393 0.00 0.00 O ATOM 127 Mn X 1 15.765 13.509 13.850 0.00 0.00 MN ATOM 128 O X 1 13.520 16.871 13.116 0.00 0.00 O ATOM 129 O X 1 13.669 15.645 15.779 0.00 0.00 O ATOM 130 O X 1 14.381 14.522 13.280 0.00 0.00 O ATOM 131 O X 1 16.206 14.763 15.156 0.00 0.00 O ATOM 132 O X 1 17.291 12.264 14.147 0.00 0.00 O ATOM 133 H X 1 14.633 15.548 15.599 0.00 0.00 H ATOM 134 H X 1 13.487 16.352 16.450 0.00 0.00 H ATOM 135 H X 1 13.147 17.261 13.940 0.00 0.00 H ATOM 136 H X 1 17.959 12.039 13.438 0.00 0.00 H ATOM 137 H X 1 16.953 15.353 14.902 0.00 0.00 H ATOM 138 H X 1 17.542 11.930 15.040 0.00 0.00 H ATOM 139 H X 1 15.428 15.711 5.695 0.00 0.00 H ATOM 140 Cl X 1 19.737 18.434 12.666 0.00 0.00 CL ATOM 141 O X 1 10.460 15.295 15.866 0.00 0.00 O ATOM 142 H X 1 9.884 14.521 15.814 0.00 0.00 H ATOM 143 H X 1 10.482 15.573 16.811 0.00 0.00 H ATOM 144 O X 1 7.188 16.117 15.059 0.00 0.00 O ATOM 145 H X 1 6.832 15.251 15.288 0.00 0.00 H ATOM 146 H X 1 8.151 16.013 15.066 0.00 0.00 H ATOM 147 O X 1 16.269 10.061 11.975 0.00 0.00 O ATOM 148 H X 1 17.230 10.282 12.007 0.00 0.00 H ATOM 149 H X 1 15.859 10.947 12.133 0.00 0.00 H ATOM 150 O X 1 12.840 17.548 17.442 0.00 0.00 O ATOM 151 H X 1 13.540 17.827 18.078 0.00 0.00 H ATOM 152 H X 1 12.649 18.258 16.815 0.00 0.00 H ATOM 153 O X 1 14.875 17.687 19.176 0.00 0.00 O ATOM 154 H X 1 15.468 18.440 19.276 0.00 0.00 H ATOM 155 H X 1 15.445 16.936 18.855 0.00 0.00 H ATOM 156 O X 1 18.908 13.117 18.379 0.00 0.00 O ATOM 157 H X 1 19.790 12.730 18.429 0.00 0.00 H ATOM 158 H X 1 18.435 12.567 17.726 0.00 0.00 H ATOM 159 O X 1 16.362 15.668 18.195 0.00 0.00 O ATOM 160 H X 1 16.238 15.438 17.260 0.00 0.00 H ATOM 161 H X 1 17.332 15.827 18.273 0.00 0.00 H ATOM 162 O X 1 16.012 10.854 9.189 0.00 0.00 O ATOM 163 H X 1 15.600 11.693 9.442 0.00 0.00 H ATOM 164 H X 1 16.072 10.369 10.032 0.00 0.00 H ATOM 165 O X 1 21.348 14.732 14.448 0.00 0.00 O ATOM 166 H X 1 21.397 15.481 15.058 0.00 0.00 H ATOM 167 H X 1 20.585 14.931 13.890 0.00 0.00 H ATOM 168 O X 1 18.361 16.610 14.815 0.00 0.00 O ATOM 169 H X 1 18.994 16.722 15.541 0.00 0.00 H ATOM 170 H X 1 18.757 17.114 14.075 0.00 0.00 H ATOM 171 O X 1 19.081 15.914 18.231 0.00 0.00 O ATOM 172 H X 1 19.215 14.948 18.170 0.00 0.00 H ATOM 173 H X 1 19.812 16.356 17.764 0.00 0.00 H ATOM 174 O X 1 7.435 20.309 9.798 0.00 0.00 O ATOM 175 H X 1 6.480 20.445 9.763 0.00 0.00 H ATOM 176 H X 1 7.816 21.193 9.856 0.00 0.00 H ATOM 177 H X 1 8.631 21.536 20.218 0.00 0.00 H ATOM 178 H X 1 6.953 21.339 20.706 0.00 0.00 H ATOM 179 H X 1 7.340 21.998 19.115 0.00 0.00 H ATOM 180 H X 1 11.913 12.479 23.209 0.00 0.00 H ATOM 181 H X 1 10.175 12.342 23.486 0.00 0.00 H ATOM 182 H X 1 11.061 13.718 24.118 0.00 0.00 H ATOM 183 H X 1 21.688 10.385 14.068 0.00 0.00 H ATOM 184 H X 1 19.974 10.593 14.350 0.00 0.00 H ATOM 185 H X 1 20.873 9.392 15.271 0.00 0.00 H ATOM 186 H X 1 20.289 11.116 9.363 0.00 0.00 H ATOM 187 H X 1 18.557 10.727 9.471 0.00 0.00 H ATOM 188 H X 1 19.731 9.762 10.388 0.00 0.00 H ATOM 189 H X 1 8.658 16.883 8.346 0.00 0.00 H ATOM 190 H X 1 9.761 18.255 8.038 0.00 0.00 H ATOM 191 H X 1 8.758 18.254 9.469 0.00 0.00 H ATOM 192 H X 1 13.218 16.548 3.970 0.00 0.00 H ATOM 193 H X 1 11.809 15.585 4.398 0.00 0.00 H ATOM 194 H X 1 13.314 14.788 3.952 0.00 0.00 H ATOM 195 H X 1 12.613 12.294 7.153 0.00 0.00 H ATOM 196 H X 1 13.735 11.243 8.018 0.00 0.00 H ATOM 197 H X 1 10.660 11.118 8.223 0.00 0.00 H ATOM 198 H X 1 11.775 10.037 9.057 0.00 0.00 H ATOM 199 H X 1 11.667 9.994 7.301 0.00 0.00 H ATOM 200 H X 1 9.035 6.517 12.290 0.00 0.00 H ATOM 201 H X 1 9.971 7.151 10.965 0.00 0.00 H ATOM 202 H X 1 11.051 5.311 13.190 0.00 0.00 H ATOM 203 H X 1 12.027 5.913 11.856 0.00 0.00 H ATOM 204 H X 1 10.689 4.825 11.537 0.00 0.00 H ATOM 205 H X 1 21.978 18.762 17.266 0.00 0.00 H ATOM 206 H X 1 9.122 19.014 15.592 0.00 0.00 H ATOM 207 H X 1 9.113 20.778 15.629 0.00 0.00 H ATOM 208 H X 1 10.503 19.878 16.239 0.00 0.00 H ATOM 209 H X 1 7.491 12.689 11.758 0.00 0.00 H ATOM 210 H X 1 7.233 14.027 12.846 0.00 0.00 H ATOM 211 H X 1 17.677 15.044 8.799 0.00 0.00 H ATOM 212 H X 1 18.848 16.329 9.076 0.00 0.00 H ATOM 213 H X 1 17.138 16.665 9.307 0.00 0.00 H ATOM 214 H X 1 15.159 11.713 19.071 0.00 0.00 H ATOM 215 H X 1 15.956 12.489 17.715 0.00 0.00 H ATOM 216 H X 1 16.654 7.037 17.516 0.00 0.00 H ATOM 217 H X 1 15.623 7.539 16.335 0.00 0.00 H ATOM 218 H X 1 17.602 20.448 10.238 0.00 0.00 H ATOM 219 H X 1 17.720 19.589 11.762 0.00 0.00 H ATOM 220 H X 1 16.982 21.187 11.716 0.00 0.00 H END ATOM 1 C X 1 20.931 10.390 14.833 0.00 0.00 C ATOM 2 C X 1 21.229 11.445 15.899 0.00 0.00 C ATOM 3 H X 1 22.225 11.315 16.325 0.00 0.00 H ATOM 4 H X 1 21.175 12.453 15.488 0.00 0.00 H ATOM 5 H X 1 20.506 11.372 16.712 0.00 0.00 H ATOM 6 C X 1 19.503 10.765 10.018 0.00 0.00 C ATOM 7 C X 1 19.308 11.675 11.202 0.00 0.00 C ATOM 8 O X 1 18.648 11.253 12.194 0.00 0.00 O ATOM 9 O X 1 19.795 12.837 11.135 0.00 0.00 O ATOM 10 C X 1 10.987 13.038 23.253 0.00 0.00 C ATOM 11 C X 1 10.697 13.784 21.978 0.00 0.00 C ATOM 12 C X 1 9.389 14.166 21.646 0.00 0.00 C ATOM 13 H X 1 8.576 13.893 22.308 0.00 0.00 H ATOM 14 C X 1 9.110 14.877 20.491 0.00 0.00 C ATOM 15 H X 1 8.094 15.157 20.247 0.00 0.00 H ATOM 16 C X 1 10.154 15.231 19.621 0.00 0.00 C ATOM 17 O X 1 9.934 15.905 18.468 0.00 0.00 O ATOM 18 H X 1 8.768 16.884 18.432 0.00 0.00 H ATOM 19 C X 1 11.468 14.862 19.938 0.00 0.00 C ATOM 20 H X 1 12.263 15.174 19.276 0.00 0.00 H ATOM 21 C X 1 11.726 14.149 21.096 0.00 0.00 C ATOM 22 H X 1 12.747 13.882 21.335 0.00 0.00 H ATOM 23 N X 1 16.251 7.839 17.104 0.00 0.00 N ATOM 24 C X 1 17.254 8.758 16.543 0.00 0.00 C ATOM 25 H X 1 18.227 8.564 16.999 0.00 0.00 H ATOM 26 C X 1 17.408 8.582 15.028 0.00 0.00 C ATOM 27 H X 1 18.019 9.385 14.622 0.00 0.00 H ATOM 28 H X 1 17.910 7.631 14.830 0.00 0.00 H ATOM 29 O X 1 16.103 8.567 14.434 0.00 0.00 O ATOM 30 H X 1 16.142 8.998 13.559 0.00 0.00 H ATOM 31 C X 1 16.936 10.225 16.885 0.00 0.00 C ATOM 32 O X 1 17.728 11.128 16.547 0.00 0.00 O ATOM 33 N X 1 15.800 10.420 17.554 0.00 0.00 N ATOM 34 H X 1 15.341 9.549 17.809 0.00 0.00 H ATOM 35 C X 1 15.248 11.706 17.972 0.00 0.00 C ATOM 36 C X 1 13.875 12.003 17.363 0.00 0.00 C ATOM 37 H X 1 13.187 11.163 17.488 0.00 0.00 H ATOM 38 H X 1 13.420 12.832 17.912 0.00 0.00 H ATOM 39 C X 1 13.837 12.426 15.902 0.00 0.00 C ATOM 40 O X 1 12.714 12.679 15.382 0.00 0.00 O ATOM 41 O X 1 14.955 12.507 15.301 0.00 0.00 O ATOM 42 C X 1 21.417 18.316 16.370 0.00 0.00 C ATOM 43 O X 1 20.817 17.237 16.456 0.00 0.00 O ATOM 44 N X 1 21.443 19.086 15.280 0.00 0.00 N ATOM 45 H X 1 20.925 18.829 14.431 0.00 0.00 H ATOM 46 H X 1 21.983 19.936 15.277 0.00 0.00 H ATOM 47 C X 1 9.746 19.902 15.457 0.00 0.00 C ATOM 48 C X 1 10.378 19.940 14.068 0.00 0.00 C ATOM 49 H X 1 9.627 19.964 13.279 0.00 0.00 H ATOM 50 H X 1 10.985 20.842 13.936 0.00 0.00 H ATOM 51 C X 1 11.296 18.758 13.805 0.00 0.00 C ATOM 52 O X 1 11.805 18.114 14.725 0.00 0.00 O ATOM 53 O X 1 11.486 18.526 12.526 0.00 0.00 O ATOM 54 C X 1 7.658 21.256 19.856 0.00 0.00 C ATOM 55 C X 1 7.657 19.869 19.317 0.00 0.00 C ATOM 56 N X 1 6.515 19.243 18.839 0.00 0.00 N ATOM 57 H X 1 5.592 19.646 18.804 0.00 0.00 H ATOM 58 C X 1 6.847 17.986 18.440 0.00 0.00 C ATOM 59 H X 1 6.141 17.294 18.015 0.00 0.00 H ATOM 60 N X 1 8.129 17.773 18.637 0.00 0.00 N ATOM 61 C X 1 8.644 18.935 19.177 0.00 0.00 C ATOM 62 H X 1 9.689 19.018 19.418 0.00 0.00 H ATOM 63 C X 1 17.079 20.237 11.156 0.00 0.00 C ATOM 64 C X 1 15.753 19.602 10.928 0.00 0.00 C ATOM 65 N X 1 14.790 20.144 10.081 0.00 0.00 N ATOM 66 H X 1 14.888 20.999 9.555 0.00 0.00 H ATOM 67 C X 1 13.676 19.379 10.132 0.00 0.00 C ATOM 68 H X 1 12.761 19.577 9.605 0.00 0.00 H ATOM 69 N X 1 13.875 18.370 10.957 0.00 0.00 N ATOM 70 C X 1 15.163 18.495 11.458 0.00 0.00 C ATOM 71 H X 1 15.539 17.801 12.186 0.00 0.00 H ATOM 72 C X 1 17.909 15.907 9.404 0.00 0.00 C ATOM 73 C X 1 18.055 15.486 10.858 0.00 0.00 C ATOM 74 H X 1 18.872 14.774 10.978 0.00 0.00 H ATOM 75 H X 1 18.325 16.336 11.490 0.00 0.00 H ATOM 76 C X 1 16.857 14.829 11.487 0.00 0.00 C ATOM 77 O X 1 15.766 14.698 10.847 0.00 0.00 O ATOM 78 O X 1 17.045 14.423 12.678 0.00 0.00 O ATOM 79 C X 1 12.886 15.631 4.479 0.00 0.00 C ATOM 80 C X 1 13.292 15.637 5.914 0.00 0.00 C ATOM 81 N X 1 14.626 15.669 6.309 0.00 0.00 N ATOM 82 C X 1 14.705 15.671 7.650 0.00 0.00 C ATOM 83 H X 1 15.607 15.667 8.235 0.00 0.00 H ATOM 84 N X 1 13.477 15.649 8.135 0.00 0.00 N ATOM 85 H X 1 13.262 15.607 9.207 0.00 0.00 H ATOM 86 C X 1 12.582 15.619 7.078 0.00 0.00 C ATOM 87 H X 1 11.523 15.560 7.243 0.00 0.00 H ATOM 88 C X 1 9.335 17.602 8.793 0.00 0.00 C ATOM 89 C X 1 10.406 16.899 9.580 0.00 0.00 C ATOM 90 O X 1 10.318 15.640 9.715 0.00 0.00 O ATOM 91 O X 1 11.348 17.596 10.071 0.00 0.00 O ATOM 92 C X 1 7.778 13.079 12.728 0.00 0.00 C ATOM 93 C X 1 7.442 12.075 13.829 0.00 0.00 C ATOM 94 H X 1 7.809 12.417 14.795 0.00 0.00 H ATOM 95 H X 1 6.366 11.922 13.906 0.00 0.00 H ATOM 96 H X 1 7.894 11.100 13.632 0.00 0.00 H ATOM 97 C X 1 9.247 13.467 12.685 0.00 0.00 C ATOM 98 O X 1 9.906 13.563 13.738 0.00 0.00 O ATOM 99 O X 1 9.698 13.698 11.494 0.00 0.00 O ATOM 100 C X 1 11.641 10.649 8.169 0.00 0.00 C ATOM 101 C X 1 12.758 11.697 8.079 0.00 0.00 C ATOM 102 C X 1 12.749 12.679 9.233 0.00 0.00 C ATOM 103 O X 1 11.660 13.290 9.475 0.00 0.00 O ATOM 104 O X 1 13.833 12.865 9.871 0.00 0.00 O ATOM 105 C X 1 11.009 5.660 12.156 0.00 0.00 C ATOM 106 C X 1 10.040 6.839 12.034 0.00 0.00 C ATOM 107 C X 1 10.380 8.050 12.904 0.00 0.00 C ATOM 108 H X 1 9.555 8.764 12.846 0.00 0.00 H ATOM 109 H X 1 10.493 7.750 13.949 0.00 0.00 H ATOM 110 N X 1 11.618 8.704 12.455 0.00 0.00 N ATOM 111 H X 1 12.112 8.288 11.681 0.00 0.00 H ATOM 112 C X 1 12.154 9.822 12.983 0.00 0.00 C ATOM 113 N X 1 11.475 10.527 13.892 0.00 0.00 N ATOM 114 H X 1 10.472 10.468 13.933 0.00 0.00 H ATOM 115 H X 1 11.903 11.343 14.336 0.00 0.00 H ATOM 116 N X 1 13.368 10.210 12.609 0.00 0.00 N ATOM 117 H X 1 14.019 9.566 12.184 0.00 0.00 H ATOM 118 H X 1 13.740 11.153 12.773 0.00 0.00 H ATOM 119 O X 1 11.186 15.841 12.306 0.00 0.00 O ATOM 120 Ca X 1 12.161 14.716 14.239 0.00 0.00 CA ATOM 121 Mn X 1 12.424 17.074 11.724 0.00 0.00 MN ATOM 122 O X 1 12.371 13.442 12.113 0.00 0.00 O ATOM 123 Mn X 1 11.376 14.530 11.033 0.00 0.00 MN ATOM 124 O X 1 13.036 15.450 10.714 0.00 0.00 O ATOM 125 Mn X 1 14.098 13.888 11.635 0.00 0.00 MN ATOM 126 O X 1 15.045 12.505 12.386 0.00 0.00 O ATOM 127 Mn X 1 15.801 13.535 13.847 0.00 0.00 MN ATOM 128 O X 1 13.551 16.853 13.086 0.00 0.00 O ATOM 129 O X 1 13.725 15.746 15.685 0.00 0.00 O ATOM 130 O X 1 14.417 14.554 13.290 0.00 0.00 O ATOM 131 O X 1 16.221 14.751 15.196 0.00 0.00 O ATOM 132 O X 1 17.308 12.258 14.114 0.00 0.00 O ATOM 133 H X 1 14.689 15.549 15.562 0.00 0.00 H ATOM 134 H X 1 13.557 16.368 16.433 0.00 0.00 H ATOM 135 H X 1 13.274 17.121 13.987 0.00 0.00 H ATOM 136 H X 1 17.969 12.010 13.397 0.00 0.00 H ATOM 137 H X 1 16.946 15.376 14.958 0.00 0.00 H ATOM 138 H X 1 17.556 11.924 15.006 0.00 0.00 H ATOM 139 H X 1 15.423 15.683 5.687 0.00 0.00 H ATOM 140 Cl X 1 19.692 18.347 12.662 0.00 0.00 CL ATOM 141 O X 1 10.395 15.294 15.831 0.00 0.00 O ATOM 142 H X 1 9.866 14.489 15.743 0.00 0.00 H ATOM 143 H X 1 10.408 15.538 16.785 0.00 0.00 H ATOM 144 O X 1 7.336 16.257 15.042 0.00 0.00 O ATOM 145 H X 1 6.884 15.506 15.442 0.00 0.00 H ATOM 146 H X 1 8.284 16.065 15.114 0.00 0.00 H ATOM 147 O X 1 16.196 10.060 11.977 0.00 0.00 O ATOM 148 H X 1 17.162 10.249 11.994 0.00 0.00 H ATOM 149 H X 1 15.816 10.962 12.128 0.00 0.00 H ATOM 150 O X 1 12.856 17.546 17.492 0.00 0.00 O ATOM 151 H X 1 13.569 17.841 18.108 0.00 0.00 H ATOM 152 H X 1 12.650 18.251 16.864 0.00 0.00 H ATOM 153 O X 1 14.902 17.769 19.180 0.00 0.00 O ATOM 154 H X 1 15.479 18.537 19.247 0.00 0.00 H ATOM 155 H X 1 15.481 17.013 18.893 0.00 0.00 H ATOM 156 O X 1 18.970 13.106 18.370 0.00 0.00 O ATOM 157 H X 1 19.861 12.740 18.314 0.00 0.00 H ATOM 158 H X 1 18.454 12.586 17.726 0.00 0.00 H ATOM 159 O X 1 16.409 15.699 18.264 0.00 0.00 O ATOM 160 H X 1 16.295 15.500 17.320 0.00 0.00 H ATOM 161 H X 1 17.381 15.837 18.358 0.00 0.00 H ATOM 162 O X 1 16.006 10.848 9.186 0.00 0.00 O ATOM 163 H X 1 15.602 11.690 9.443 0.00 0.00 H ATOM 164 H X 1 16.029 10.349 10.022 0.00 0.00 H ATOM 165 O X 1 21.362 14.790 14.460 0.00 0.00 O ATOM 166 H X 1 21.301 15.528 15.085 0.00 0.00 H ATOM 167 H X 1 20.726 15.009 13.768 0.00 0.00 H ATOM 168 O X 1 18.309 16.615 14.890 0.00 0.00 O ATOM 169 H X 1 18.972 16.732 15.588 0.00 0.00 H ATOM 170 H X 1 18.695 17.075 14.118 0.00 0.00 H ATOM 171 O X 1 19.146 15.900 18.328 0.00 0.00 O ATOM 172 H X 1 19.264 14.935 18.228 0.00 0.00 H ATOM 173 H X 1 19.836 16.347 17.805 0.00 0.00 H ATOM 174 O X 1 7.415 20.301 9.793 0.00 0.00 O ATOM 175 H X 1 6.454 20.389 9.762 0.00 0.00 H ATOM 176 H X 1 7.753 21.204 9.835 0.00 0.00 H ATOM 177 H X 1 8.666 21.535 20.157 0.00 0.00 H ATOM 178 H X 1 7.015 21.348 20.734 0.00 0.00 H ATOM 179 H X 1 7.319 21.984 19.117 0.00 0.00 H ATOM 180 H X 1 11.918 12.475 23.188 0.00 0.00 H ATOM 181 H X 1 10.186 12.342 23.503 0.00 0.00 H ATOM 182 H X 1 11.087 13.726 24.098 0.00 0.00 H ATOM 183 H X 1 21.662 10.420 14.024 0.00 0.00 H ATOM 184 H X 1 19.954 10.552 14.381 0.00 0.00 H ATOM 185 H X 1 20.942 9.379 15.247 0.00 0.00 H ATOM 186 H X 1 20.284 11.129 9.359 0.00 0.00 H ATOM 187 H X 1 18.554 10.727 9.478 0.00 0.00 H ATOM 188 H X 1 19.742 9.767 10.382 0.00 0.00 H ATOM 189 H X 1 8.663 16.880 8.339 0.00 0.00 H ATOM 190 H X 1 9.771 18.248 8.031 0.00 0.00 H ATOM 191 H X 1 8.767 18.251 9.462 0.00 0.00 H ATOM 192 H X 1 13.217 16.535 3.964 0.00 0.00 H ATOM 193 H X 1 11.803 15.579 4.393 0.00 0.00 H ATOM 194 H X 1 13.303 14.775 3.945 0.00 0.00 H ATOM 195 H X 1 12.630 12.284 7.165 0.00 0.00 H ATOM 196 H X 1 13.738 11.226 8.039 0.00 0.00 H ATOM 197 H X 1 10.660 11.117 8.215 0.00 0.00 H ATOM 198 H X 1 11.761 10.028 9.057 0.00 0.00 H ATOM 199 H X 1 11.670 9.990 7.301 0.00 0.00 H ATOM 200 H X 1 9.039 6.513 12.321 0.00 0.00 H ATOM 201 H X 1 9.959 7.161 10.992 0.00 0.00 H ATOM 202 H X 1 11.061 5.294 13.183 0.00 0.00 H ATOM 203 H X 1 12.025 5.912 11.847 0.00 0.00 H ATOM 204 H X 1 10.682 4.831 11.528 0.00 0.00 H ATOM 205 H X 1 21.981 18.718 17.222 0.00 0.00 H ATOM 206 H X 1 9.126 19.015 15.579 0.00 0.00 H ATOM 207 H X 1 9.120 20.779 15.623 0.00 0.00 H ATOM 208 H X 1 10.507 19.874 16.235 0.00 0.00 H ATOM 209 H X 1 7.475 12.723 11.744 0.00 0.00 H ATOM 210 H X 1 7.238 14.017 12.894 0.00 0.00 H ATOM 211 H X 1 17.671 15.052 8.768 0.00 0.00 H ATOM 212 H X 1 18.847 16.332 9.047 0.00 0.00 H ATOM 213 H X 1 17.139 16.671 9.291 0.00 0.00 H ATOM 214 H X 1 15.155 11.707 19.059 0.00 0.00 H ATOM 215 H X 1 15.958 12.483 17.705 0.00 0.00 H ATOM 216 H X 1 16.683 7.033 17.539 0.00 0.00 H ATOM 217 H X 1 15.636 7.516 16.365 0.00 0.00 H ATOM 218 H X 1 17.602 20.443 10.221 0.00 0.00 H ATOM 219 H X 1 17.722 19.583 11.745 0.00 0.00 H ATOM 220 H X 1 16.979 21.179 11.700 0.00 0.00 H END ATOM 1 C X 1 20.937 10.386 14.821 0.00 0.00 C ATOM 2 C X 1 21.237 11.440 15.888 0.00 0.00 C ATOM 3 H X 1 22.249 11.335 16.283 0.00 0.00 H ATOM 4 H X 1 21.142 12.450 15.490 0.00 0.00 H ATOM 5 H X 1 20.541 11.336 16.722 0.00 0.00 H ATOM 6 C X 1 19.506 10.793 10.039 0.00 0.00 C ATOM 7 C X 1 19.339 11.689 11.236 0.00 0.00 C ATOM 8 O X 1 18.650 11.252 12.203 0.00 0.00 O ATOM 9 O X 1 19.871 12.830 11.216 0.00 0.00 O ATOM 10 C X 1 11.004 13.041 23.253 0.00 0.00 C ATOM 11 C X 1 10.693 13.778 21.979 0.00 0.00 C ATOM 12 C X 1 9.373 14.122 21.652 0.00 0.00 C ATOM 13 H X 1 8.570 13.829 22.317 0.00 0.00 H ATOM 14 C X 1 9.073 14.818 20.494 0.00 0.00 C ATOM 15 H X 1 8.049 15.067 20.246 0.00 0.00 H ATOM 16 C X 1 10.102 15.191 19.619 0.00 0.00 C ATOM 17 O X 1 9.850 15.841 18.454 0.00 0.00 O ATOM 18 H X 1 8.777 16.777 18.448 0.00 0.00 H ATOM 19 C X 1 11.429 14.868 19.932 0.00 0.00 C ATOM 20 H X 1 12.213 15.205 19.267 0.00 0.00 H ATOM 21 C X 1 11.711 14.171 21.095 0.00 0.00 C ATOM 22 H X 1 12.740 13.935 21.334 0.00 0.00 H ATOM 23 N X 1 16.260 7.838 17.111 0.00 0.00 N ATOM 24 C X 1 17.255 8.759 16.540 0.00 0.00 C ATOM 25 H X 1 18.232 8.569 16.991 0.00 0.00 H ATOM 26 C X 1 17.403 8.580 15.025 0.00 0.00 C ATOM 27 H X 1 18.014 9.383 14.618 0.00 0.00 H ATOM 28 H X 1 17.904 7.629 14.826 0.00 0.00 H ATOM 29 O X 1 16.098 8.566 14.433 0.00 0.00 O ATOM 30 H X 1 16.139 8.989 13.554 0.00 0.00 H ATOM 31 C X 1 16.936 10.227 16.878 0.00 0.00 C ATOM 32 O X 1 17.725 11.131 16.538 0.00 0.00 O ATOM 33 N X 1 15.796 10.420 17.545 0.00 0.00 N ATOM 34 H X 1 15.339 9.550 17.805 0.00 0.00 H ATOM 35 C X 1 15.250 11.706 17.966 0.00 0.00 C ATOM 36 C X 1 13.877 12.010 17.360 0.00 0.00 C ATOM 37 H X 1 13.187 11.172 17.482 0.00 0.00 H ATOM 38 H X 1 13.424 12.838 17.912 0.00 0.00 H ATOM 39 C X 1 13.843 12.435 15.898 0.00 0.00 C ATOM 40 O X 1 12.719 12.699 15.383 0.00 0.00 O ATOM 41 O X 1 14.959 12.510 15.295 0.00 0.00 O ATOM 42 C X 1 21.427 18.307 16.336 0.00 0.00 C ATOM 43 O X 1 20.812 17.239 16.452 0.00 0.00 O ATOM 44 N X 1 21.450 19.055 15.231 0.00 0.00 N ATOM 45 H X 1 20.921 18.787 14.393 0.00 0.00 H ATOM 46 H X 1 22.015 19.889 15.196 0.00 0.00 H ATOM 47 C X 1 9.764 19.911 15.453 0.00 0.00 C ATOM 48 C X 1 10.397 19.954 14.064 0.00 0.00 C ATOM 49 H X 1 9.645 19.983 13.276 0.00 0.00 H ATOM 50 H X 1 11.007 20.853 13.937 0.00 0.00 H ATOM 51 C X 1 11.305 18.761 13.803 0.00 0.00 C ATOM 52 O X 1 11.791 18.110 14.720 0.00 0.00 O ATOM 53 O X 1 11.484 18.532 12.515 0.00 0.00 O ATOM 54 C X 1 7.677 21.267 19.860 0.00 0.00 C ATOM 55 C X 1 7.646 19.875 19.334 0.00 0.00 C ATOM 56 N X 1 6.482 19.249 18.916 0.00 0.00 N ATOM 57 H X 1 5.557 19.651 18.924 0.00 0.00 H ATOM 58 C X 1 6.792 17.988 18.513 0.00 0.00 C ATOM 59 H X 1 6.062 17.290 18.143 0.00 0.00 H ATOM 60 N X 1 8.082 17.774 18.645 0.00 0.00 N ATOM 61 C X 1 8.625 18.940 19.150 0.00 0.00 C ATOM 62 H X 1 9.680 19.025 19.343 0.00 0.00 H ATOM 63 C X 1 17.087 20.236 11.148 0.00 0.00 C ATOM 64 C X 1 15.761 19.600 10.925 0.00 0.00 C ATOM 65 N X 1 14.797 20.135 10.074 0.00 0.00 N ATOM 66 H X 1 14.894 20.985 9.541 0.00 0.00 H ATOM 67 C X 1 13.683 19.370 10.134 0.00 0.00 C ATOM 68 H X 1 12.768 19.563 9.606 0.00 0.00 H ATOM 69 N X 1 13.883 18.368 10.967 0.00 0.00 N ATOM 70 C X 1 15.171 18.498 11.465 0.00 0.00 C ATOM 71 H X 1 15.550 17.808 12.196 0.00 0.00 H ATOM 72 C X 1 17.910 15.907 9.394 0.00 0.00 C ATOM 73 C X 1 18.062 15.471 10.843 0.00 0.00 C ATOM 74 H X 1 18.870 14.747 10.953 0.00 0.00 H ATOM 75 H X 1 18.349 16.312 11.479 0.00 0.00 H ATOM 76 C X 1 16.857 14.830 11.477 0.00 0.00 C ATOM 77 O X 1 15.767 14.700 10.840 0.00 0.00 O ATOM 78 O X 1 17.045 14.434 12.673 0.00 0.00 O ATOM 79 C X 1 12.883 15.635 4.476 0.00 0.00 C ATOM 80 C X 1 13.291 15.641 5.910 0.00 0.00 C ATOM 81 N X 1 14.625 15.667 6.304 0.00 0.00 N ATOM 82 C X 1 14.704 15.669 7.646 0.00 0.00 C ATOM 83 H X 1 15.607 15.661 8.229 0.00 0.00 H ATOM 84 N X 1 13.476 15.652 8.131 0.00 0.00 N ATOM 85 H X 1 13.262 15.608 9.205 0.00 0.00 H ATOM 86 C X 1 12.581 15.626 7.074 0.00 0.00 C ATOM 87 H X 1 11.522 15.570 7.240 0.00 0.00 H ATOM 88 C X 1 9.345 17.611 8.793 0.00 0.00 C ATOM 89 C X 1 10.413 16.904 9.584 0.00 0.00 C ATOM 90 O X 1 10.319 15.644 9.717 0.00 0.00 O ATOM 91 O X 1 11.357 17.596 10.079 0.00 0.00 O ATOM 92 C X 1 7.778 13.088 12.733 0.00 0.00 C ATOM 93 C X 1 7.449 12.051 13.806 0.00 0.00 C ATOM 94 H X 1 7.825 12.365 14.777 0.00 0.00 H ATOM 95 H X 1 6.373 11.901 13.888 0.00 0.00 H ATOM 96 H X 1 7.893 11.080 13.572 0.00 0.00 H ATOM 97 C X 1 9.248 13.466 12.686 0.00 0.00 C ATOM 98 O X 1 9.910 13.570 13.739 0.00 0.00 O ATOM 99 O X 1 9.706 13.682 11.494 0.00 0.00 O ATOM 100 C X 1 11.636 10.656 8.167 0.00 0.00 C ATOM 101 C X 1 12.759 11.698 8.084 0.00 0.00 C ATOM 102 C X 1 12.747 12.682 9.235 0.00 0.00 C ATOM 103 O X 1 11.658 13.293 9.475 0.00 0.00 O ATOM 104 O X 1 13.830 12.871 9.875 0.00 0.00 O ATOM 105 C X 1 11.004 5.669 12.155 0.00 0.00 C ATOM 106 C X 1 10.035 6.851 12.055 0.00 0.00 C ATOM 107 C X 1 10.379 8.052 12.940 0.00 0.00 C ATOM 108 H X 1 9.554 8.766 12.891 0.00 0.00 H ATOM 109 H X 1 10.494 7.738 13.980 0.00 0.00 H ATOM 110 N X 1 11.616 8.711 12.492 0.00 0.00 N ATOM 111 H X 1 12.110 8.293 11.718 0.00 0.00 H ATOM 112 C X 1 12.144 9.841 13.002 0.00 0.00 C ATOM 113 N X 1 11.462 10.562 13.893 0.00 0.00 N ATOM 114 H X 1 10.460 10.491 13.949 0.00 0.00 H ATOM 115 H X 1 11.891 11.378 14.338 0.00 0.00 H ATOM 116 N X 1 13.357 10.226 12.621 0.00 0.00 N ATOM 117 H X 1 14.012 9.577 12.209 0.00 0.00 H ATOM 118 H X 1 13.728 11.169 12.783 0.00 0.00 H ATOM 119 O X 1 11.185 15.841 12.307 0.00 0.00 O ATOM 120 Ca X 1 12.147 14.721 14.233 0.00 0.00 CA ATOM 121 Mn X 1 12.426 17.078 11.743 0.00 0.00 MN ATOM 122 O X 1 12.373 13.445 12.118 0.00 0.00 O ATOM 123 Mn X 1 11.375 14.530 11.032 0.00 0.00 MN ATOM 124 O X 1 13.036 15.441 10.710 0.00 0.00 O ATOM 125 Mn X 1 14.093 13.898 11.632 0.00 0.00 MN ATOM 126 O X 1 15.047 12.513 12.386 0.00 0.00 O ATOM 127 Mn X 1 15.806 13.540 13.834 0.00 0.00 MN ATOM 128 O X 1 13.567 16.865 13.082 0.00 0.00 O ATOM 129 O X 1 13.864 15.856 15.553 0.00 0.00 O ATOM 130 O X 1 14.416 14.559 13.288 0.00 0.00 O ATOM 131 O X 1 16.216 14.763 15.199 0.00 0.00 O ATOM 132 O X 1 17.308 12.260 14.051 0.00 0.00 O ATOM 133 H X 1 14.823 15.540 15.483 0.00 0.00 H ATOM 134 H X 1 13.683 16.384 16.365 0.00 0.00 H ATOM 135 H X 1 13.528 16.806 14.071 0.00 0.00 H ATOM 136 H X 1 17.974 11.992 13.326 0.00 0.00 H ATOM 137 H X 1 16.925 15.414 14.975 0.00 0.00 H ATOM 138 H X 1 17.548 11.931 14.943 0.00 0.00 H ATOM 139 H X 1 15.421 15.675 5.682 0.00 0.00 H ATOM 140 Cl X 1 19.658 18.272 12.661 0.00 0.00 CL ATOM 141 O X 1 10.397 15.296 15.830 0.00 0.00 O ATOM 142 H X 1 9.844 14.515 15.683 0.00 0.00 H ATOM 143 H X 1 10.375 15.506 16.792 0.00 0.00 H ATOM 144 O X 1 7.410 16.127 14.872 0.00 0.00 O ATOM 145 H X 1 6.936 15.832 15.659 0.00 0.00 H ATOM 146 H X 1 8.347 16.128 15.124 0.00 0.00 H ATOM 147 O X 1 16.191 10.060 11.974 0.00 0.00 O ATOM 148 H X 1 17.156 10.247 11.987 0.00 0.00 H ATOM 149 H X 1 15.812 10.962 12.132 0.00 0.00 H ATOM 150 O X 1 12.882 17.481 17.510 0.00 0.00 O ATOM 151 H X 1 13.584 17.801 18.123 0.00 0.00 H ATOM 152 H X 1 12.641 18.200 16.908 0.00 0.00 H ATOM 153 O X 1 14.976 17.860 19.173 0.00 0.00 O ATOM 154 H X 1 15.545 18.637 19.216 0.00 0.00 H ATOM 155 H X 1 15.565 17.104 18.905 0.00 0.00 H ATOM 156 O X 1 19.041 13.094 18.366 0.00 0.00 O ATOM 157 H X 1 19.930 12.746 18.224 0.00 0.00 H ATOM 158 H X 1 18.486 12.605 17.731 0.00 0.00 H ATOM 159 O X 1 16.459 15.778 18.288 0.00 0.00 O ATOM 160 H X 1 16.350 15.593 17.343 0.00 0.00 H ATOM 161 H X 1 17.437 15.873 18.398 0.00 0.00 H ATOM 162 O X 1 15.923 10.842 9.183 0.00 0.00 O ATOM 163 H X 1 15.571 11.702 9.458 0.00 0.00 H ATOM 164 H X 1 15.973 10.346 10.019 0.00 0.00 H ATOM 165 O X 1 21.360 14.797 14.546 0.00 0.00 O ATOM 166 H X 1 21.261 15.576 15.115 0.00 0.00 H ATOM 167 H X 1 20.908 15.032 13.726 0.00 0.00 H ATOM 168 O X 1 18.233 16.623 14.909 0.00 0.00 O ATOM 169 H X 1 18.910 16.716 15.597 0.00 0.00 H ATOM 170 H X 1 18.629 17.053 14.125 0.00 0.00 H ATOM 171 O X 1 19.166 15.855 18.408 0.00 0.00 O ATOM 172 H X 1 19.289 14.891 18.281 0.00 0.00 H ATOM 173 H X 1 19.827 16.322 17.869 0.00 0.00 H ATOM 174 O X 1 7.331 20.307 9.791 0.00 0.00 O ATOM 175 H X 1 6.371 20.398 9.760 0.00 0.00 H ATOM 176 H X 1 7.672 21.210 9.817 0.00 0.00 H ATOM 177 H X 1 8.698 21.544 20.115 0.00 0.00 H ATOM 178 H X 1 7.072 21.372 20.763 0.00 0.00 H ATOM 179 H X 1 7.310 21.989 19.128 0.00 0.00 H ATOM 180 H X 1 11.932 12.475 23.176 0.00 0.00 H ATOM 181 H X 1 10.205 12.349 23.520 0.00 0.00 H ATOM 182 H X 1 11.118 13.735 24.091 0.00 0.00 H ATOM 183 H X 1 21.639 10.448 13.988 0.00 0.00 H ATOM 184 H X 1 19.941 10.522 14.405 0.00 0.00 H ATOM 185 H X 1 20.994 9.373 15.223 0.00 0.00 H ATOM 186 H X 1 20.278 11.154 9.369 0.00 0.00 H ATOM 187 H X 1 18.547 10.756 9.518 0.00 0.00 H ATOM 188 H X 1 19.744 9.792 10.397 0.00 0.00 H ATOM 189 H X 1 8.671 16.892 8.338 0.00 0.00 H ATOM 190 H X 1 9.784 18.255 8.031 0.00 0.00 H ATOM 191 H X 1 8.776 18.261 9.461 0.00 0.00 H ATOM 192 H X 1 13.218 16.537 3.959 0.00 0.00 H ATOM 193 H X 1 11.800 15.589 4.390 0.00 0.00 H ATOM 194 H X 1 13.295 14.777 3.942 0.00 0.00 H ATOM 195 H X 1 12.640 12.285 7.169 0.00 0.00 H ATOM 196 H X 1 13.737 11.222 8.053 0.00 0.00 H ATOM 197 H X 1 10.657 11.128 8.207 0.00 0.00 H ATOM 198 H X 1 11.748 10.034 9.056 0.00 0.00 H ATOM 199 H X 1 11.668 9.998 7.299 0.00 0.00 H ATOM 200 H X 1 9.035 6.521 12.344 0.00 0.00 H ATOM 201 H X 1 9.947 7.186 11.018 0.00 0.00 H ATOM 202 H X 1 11.064 5.291 13.176 0.00 0.00 H ATOM 203 H X 1 12.017 5.922 11.839 0.00 0.00 H ATOM 204 H X 1 10.670 4.848 11.520 0.00 0.00 H ATOM 205 H X 1 22.008 18.718 17.172 0.00 0.00 H ATOM 206 H X 1 9.143 19.024 15.569 0.00 0.00 H ATOM 207 H X 1 9.139 20.788 15.622 0.00 0.00 H ATOM 208 H X 1 10.525 19.877 16.231 0.00 0.00 H ATOM 209 H X 1 7.463 12.765 11.742 0.00 0.00 H ATOM 210 H X 1 7.250 14.023 12.944 0.00 0.00 H ATOM 211 H X 1 17.667 15.061 8.749 0.00 0.00 H ATOM 212 H X 1 18.848 16.333 9.039 0.00 0.00 H ATOM 213 H X 1 17.142 16.676 9.292 0.00 0.00 H ATOM 214 H X 1 15.157 11.706 19.054 0.00 0.00 H ATOM 215 H X 1 15.963 12.480 17.699 0.00 0.00 H ATOM 216 H X 1 16.697 7.038 17.551 0.00 0.00 H ATOM 217 H X 1 15.643 7.505 16.378 0.00 0.00 H ATOM 218 H X 1 17.607 20.443 10.210 0.00 0.00 H ATOM 219 H X 1 17.731 19.584 11.736 0.00 0.00 H ATOM 220 H X 1 16.987 21.179 11.691 0.00 0.00 H END ATOM 1 C X 1 20.942 10.383 14.816 0.00 0.00 C ATOM 2 C X 1 21.243 11.436 15.882 0.00 0.00 C ATOM 3 H X 1 22.254 11.330 16.278 0.00 0.00 H ATOM 4 H X 1 21.150 12.446 15.483 0.00 0.00 H ATOM 5 H X 1 20.546 11.333 16.715 0.00 0.00 H ATOM 6 C X 1 19.489 10.779 10.063 0.00 0.00 C ATOM 7 C X 1 19.345 11.734 11.229 0.00 0.00 C ATOM 8 O X 1 18.606 11.223 12.242 0.00 0.00 O ATOM 9 O X 1 19.817 12.842 11.230 0.00 0.00 O ATOM 10 C X 1 11.015 13.040 23.257 0.00 0.00 C ATOM 11 C X 1 10.703 13.778 21.977 0.00 0.00 C ATOM 12 C X 1 9.390 14.123 21.651 0.00 0.00 C ATOM 13 H X 1 8.584 13.835 22.316 0.00 0.00 H ATOM 14 C X 1 9.087 14.815 20.483 0.00 0.00 C ATOM 15 H X 1 8.062 15.065 20.244 0.00 0.00 H ATOM 16 C X 1 10.109 15.182 19.610 0.00 0.00 C ATOM 17 O X 1 9.840 15.821 18.417 0.00 0.00 O ATOM 18 H X 1 9.098 16.501 18.500 0.00 0.00 H ATOM 19 C X 1 11.428 14.871 19.925 0.00 0.00 C ATOM 20 H X 1 12.217 15.203 19.264 0.00 0.00 H ATOM 21 C X 1 11.713 14.170 21.093 0.00 0.00 C ATOM 22 H X 1 12.744 13.935 21.327 0.00 0.00 H ATOM 23 N X 1 16.265 7.835 17.107 0.00 0.00 N ATOM 24 C X 1 17.261 8.755 16.537 0.00 0.00 C ATOM 25 H X 1 18.238 8.564 16.987 0.00 0.00 H ATOM 26 C X 1 17.409 8.578 15.022 0.00 0.00 C ATOM 27 H X 1 18.019 9.382 14.615 0.00 0.00 H ATOM 28 H X 1 17.908 7.627 14.821 0.00 0.00 H ATOM 29 O X 1 16.101 8.566 14.431 0.00 0.00 O ATOM 30 H X 1 16.145 8.983 13.551 0.00 0.00 H ATOM 31 C X 1 16.942 10.222 16.877 0.00 0.00 C ATOM 32 O X 1 17.730 11.126 16.544 0.00 0.00 O ATOM 33 N X 1 15.798 10.415 17.541 0.00 0.00 N ATOM 34 H X 1 15.344 9.544 17.803 0.00 0.00 H ATOM 35 C X 1 15.256 11.701 17.966 0.00 0.00 C ATOM 36 C X 1 13.883 12.009 17.361 0.00 0.00 C ATOM 37 H X 1 13.192 11.171 17.482 0.00 0.00 H ATOM 38 H X 1 13.427 12.834 17.917 0.00 0.00 H ATOM 39 C X 1 13.845 12.436 15.902 0.00 0.00 C ATOM 40 O X 1 12.725 12.700 15.380 0.00 0.00 O ATOM 41 O X 1 14.965 12.523 15.302 0.00 0.00 O ATOM 42 C X 1 21.432 18.302 16.333 0.00 0.00 C ATOM 43 O X 1 20.818 17.231 16.456 0.00 0.00 O ATOM 44 N X 1 21.452 19.048 15.228 0.00 0.00 N ATOM 45 H X 1 20.913 18.783 14.388 0.00 0.00 H ATOM 46 H X 1 22.016 19.883 15.198 0.00 0.00 H ATOM 47 C X 1 9.778 19.900 15.463 0.00 0.00 C ATOM 48 C X 1 10.412 19.941 14.076 0.00 0.00 C ATOM 49 H X 1 9.661 19.967 13.288 0.00 0.00 H ATOM 50 H X 1 11.019 20.843 13.947 0.00 0.00 H ATOM 51 C X 1 11.332 18.765 13.786 0.00 0.00 C ATOM 52 O X 1 11.879 18.123 14.682 0.00 0.00 O ATOM 53 O X 1 11.480 18.535 12.503 0.00 0.00 O ATOM 54 C X 1 7.687 21.268 19.869 0.00 0.00 C ATOM 55 C X 1 7.653 19.878 19.339 0.00 0.00 C ATOM 56 N X 1 6.487 19.256 18.919 0.00 0.00 N ATOM 57 H X 1 5.563 19.660 18.931 0.00 0.00 H ATOM 58 C X 1 6.796 17.995 18.515 0.00 0.00 C ATOM 59 H X 1 6.066 17.296 18.146 0.00 0.00 H ATOM 60 N X 1 8.084 17.780 18.647 0.00 0.00 N ATOM 61 C X 1 8.629 18.941 19.156 0.00 0.00 C ATOM 62 H X 1 9.684 19.018 19.356 0.00 0.00 H ATOM 63 C X 1 17.094 20.232 11.152 0.00 0.00 C ATOM 64 C X 1 15.766 19.599 10.931 0.00 0.00 C ATOM 65 N X 1 14.799 20.133 10.082 0.00 0.00 N ATOM 66 H X 1 14.898 20.984 9.548 0.00 0.00 H ATOM 67 C X 1 13.685 19.370 10.138 0.00 0.00 C ATOM 68 H X 1 12.771 19.564 9.609 0.00 0.00 H ATOM 69 N X 1 13.886 18.363 10.970 0.00 0.00 N ATOM 70 C X 1 15.175 18.494 11.469 0.00 0.00 C ATOM 71 H X 1 15.567 17.806 12.192 0.00 0.00 H ATOM 72 C X 1 17.910 15.907 9.395 0.00 0.00 C ATOM 73 C X 1 18.063 15.472 10.845 0.00 0.00 C ATOM 74 H X 1 18.872 14.746 10.957 0.00 0.00 H ATOM 75 H X 1 18.360 16.314 11.482 0.00 0.00 H ATOM 76 C X 1 16.862 14.831 11.477 0.00 0.00 C ATOM 77 O X 1 15.764 14.695 10.841 0.00 0.00 O ATOM 78 O X 1 17.040 14.433 12.674 0.00 0.00 O ATOM 79 C X 1 12.881 15.639 4.477 0.00 0.00 C ATOM 80 C X 1 13.291 15.643 5.911 0.00 0.00 C ATOM 81 N X 1 14.625 15.670 6.304 0.00 0.00 N ATOM 82 C X 1 14.708 15.670 7.644 0.00 0.00 C ATOM 83 H X 1 15.611 15.663 8.229 0.00 0.00 H ATOM 84 N X 1 13.479 15.653 8.128 0.00 0.00 N ATOM 85 H X 1 13.268 15.619 9.184 0.00 0.00 H ATOM 86 C X 1 12.581 15.628 7.074 0.00 0.00 C ATOM 87 H X 1 11.522 15.572 7.242 0.00 0.00 H ATOM 88 C X 1 9.342 17.612 8.797 0.00 0.00 C ATOM 89 C X 1 10.410 16.904 9.582 0.00 0.00 C ATOM 90 O X 1 10.320 15.645 9.715 0.00 0.00 O ATOM 91 O X 1 11.358 17.598 10.074 0.00 0.00 O ATOM 92 C X 1 7.783 13.086 12.736 0.00 0.00 C ATOM 93 C X 1 7.453 12.052 13.813 0.00 0.00 C ATOM 94 H X 1 7.828 12.369 14.784 0.00 0.00 H ATOM 95 H X 1 6.377 11.904 13.895 0.00 0.00 H ATOM 96 H X 1 7.896 11.080 13.581 0.00 0.00 H ATOM 97 C X 1 9.252 13.460 12.685 0.00 0.00 C ATOM 98 O X 1 9.917 13.570 13.734 0.00 0.00 O ATOM 99 O X 1 9.713 13.671 11.490 0.00 0.00 O ATOM 100 C X 1 11.636 10.658 8.170 0.00 0.00 C ATOM 101 C X 1 12.760 11.700 8.087 0.00 0.00 C ATOM 102 C X 1 12.751 12.683 9.239 0.00 0.00 C ATOM 103 O X 1 11.662 13.298 9.477 0.00 0.00 O ATOM 104 O X 1 13.831 12.874 9.882 0.00 0.00 O ATOM 105 C X 1 11.005 5.669 12.155 0.00 0.00 C ATOM 106 C X 1 10.036 6.851 12.054 0.00 0.00 C ATOM 107 C X 1 10.380 8.051 12.939 0.00 0.00 C ATOM 108 H X 1 9.556 8.767 12.891 0.00 0.00 H ATOM 109 H X 1 10.496 7.738 13.979 0.00 0.00 H ATOM 110 N X 1 11.617 8.710 12.490 0.00 0.00 N ATOM 111 H X 1 12.112 8.291 11.718 0.00 0.00 H ATOM 112 C X 1 12.146 9.837 13.002 0.00 0.00 C ATOM 113 N X 1 11.464 10.560 13.892 0.00 0.00 N ATOM 114 H X 1 10.463 10.486 13.954 0.00 0.00 H ATOM 115 H X 1 11.895 11.370 14.344 0.00 0.00 H ATOM 116 N X 1 13.359 10.222 12.619 0.00 0.00 N ATOM 117 H X 1 14.019 9.574 12.212 0.00 0.00 H ATOM 118 H X 1 13.726 11.160 12.793 0.00 0.00 H ATOM 119 O X 1 11.170 15.845 12.289 0.00 0.00 O ATOM 120 Ca X 1 12.105 14.702 14.226 0.00 0.00 CA ATOM 121 Mn X 1 12.426 17.067 11.718 0.00 0.00 MN ATOM 122 O X 1 12.373 13.449 12.116 0.00 0.00 O ATOM 123 Mn X 1 11.369 14.526 11.030 0.00 0.00 MN ATOM 124 O X 1 13.039 15.464 10.729 0.00 0.00 O ATOM 125 Mn X 1 14.096 13.908 11.634 0.00 0.00 MN ATOM 126 O X 1 15.056 12.524 12.413 0.00 0.00 O ATOM 127 Mn X 1 15.829 13.476 13.819 0.00 0.00 MN ATOM 128 O X 1 13.420 16.880 13.129 0.00 0.00 O ATOM 129 O X 1 13.781 15.994 15.505 0.00 0.00 O ATOM 130 O X 1 14.403 14.611 13.261 0.00 0.00 O ATOM 131 O X 1 16.167 14.886 15.233 0.00 0.00 O ATOM 132 O X 1 17.288 12.346 14.072 0.00 0.00 O ATOM 133 H X 1 15.288 15.399 15.359 0.00 0.00 H ATOM 134 H X 1 13.533 16.492 16.339 0.00 0.00 H ATOM 135 H X 1 13.665 16.610 14.715 0.00 0.00 H ATOM 136 H X 1 18.230 11.854 13.003 0.00 0.00 H ATOM 137 H X 1 16.941 15.507 15.034 0.00 0.00 H ATOM 138 H X 1 17.457 11.978 14.968 0.00 0.00 H ATOM 139 H X 1 15.422 15.679 5.682 0.00 0.00 H ATOM 140 Cl X 1 19.614 18.240 12.705 0.00 0.00 CL ATOM 141 O X 1 10.404 15.294 15.841 0.00 0.00 O ATOM 142 H X 1 9.838 14.520 15.702 0.00 0.00 H ATOM 143 H X 1 10.362 15.509 16.810 0.00 0.00 H ATOM 144 O X 1 7.434 16.107 14.874 0.00 0.00 O ATOM 145 H X 1 6.946 15.819 15.654 0.00 0.00 H ATOM 146 H X 1 8.366 16.115 15.143 0.00 0.00 H ATOM 147 O X 1 16.187 10.055 11.966 0.00 0.00 O ATOM 148 H X 1 17.154 10.238 11.988 0.00 0.00 H ATOM 149 H X 1 15.822 10.955 12.136 0.00 0.00 H ATOM 150 O X 1 12.898 17.487 17.521 0.00 0.00 O ATOM 151 H X 1 13.606 17.792 18.145 0.00 0.00 H ATOM 152 H X 1 12.638 18.229 16.958 0.00 0.00 H ATOM 153 O X 1 14.971 17.848 19.171 0.00 0.00 O ATOM 154 H X 1 15.538 18.626 19.226 0.00 0.00 H ATOM 155 H X 1 15.569 17.094 18.913 0.00 0.00 H ATOM 156 O X 1 19.069 13.093 18.363 0.00 0.00 O ATOM 157 H X 1 19.955 12.738 18.221 0.00 0.00 H ATOM 158 H X 1 18.509 12.599 17.736 0.00 0.00 H ATOM 159 O X 1 16.484 15.800 18.306 0.00 0.00 O ATOM 160 H X 1 16.365 15.609 17.365 0.00 0.00 H ATOM 161 H X 1 17.467 15.888 18.405 0.00 0.00 H ATOM 162 O X 1 15.927 10.838 9.178 0.00 0.00 O ATOM 163 H X 1 15.586 11.702 9.453 0.00 0.00 H ATOM 164 H X 1 15.985 10.344 10.016 0.00 0.00 H ATOM 165 O X 1 21.355 14.788 14.536 0.00 0.00 O ATOM 166 H X 1 21.279 15.571 15.101 0.00 0.00 H ATOM 167 H X 1 20.907 15.034 13.716 0.00 0.00 H ATOM 168 O X 1 18.201 16.614 14.940 0.00 0.00 O ATOM 169 H X 1 18.900 16.696 15.611 0.00 0.00 H ATOM 170 H X 1 18.602 17.043 14.142 0.00 0.00 H ATOM 171 O X 1 19.173 15.855 18.390 0.00 0.00 O ATOM 172 H X 1 19.307 14.892 18.275 0.00 0.00 H ATOM 173 H X 1 19.840 16.326 17.858 0.00 0.00 H ATOM 174 O X 1 7.347 20.312 9.743 0.00 0.00 O ATOM 175 H X 1 6.386 20.396 9.756 0.00 0.00 H ATOM 176 H X 1 7.683 21.213 9.815 0.00 0.00 H ATOM 177 H X 1 8.708 21.541 20.126 0.00 0.00 H ATOM 178 H X 1 7.081 21.370 20.772 0.00 0.00 H ATOM 179 H X 1 7.322 21.993 19.139 0.00 0.00 H ATOM 180 H X 1 11.942 12.470 23.178 0.00 0.00 H ATOM 181 H X 1 10.218 12.344 23.520 0.00 0.00 H ATOM 182 H X 1 11.130 13.729 24.096 0.00 0.00 H ATOM 183 H X 1 21.644 10.443 13.983 0.00 0.00 H ATOM 184 H X 1 19.945 10.521 14.401 0.00 0.00 H ATOM 185 H X 1 20.996 9.369 15.218 0.00 0.00 H ATOM 186 H X 1 20.261 11.147 9.391 0.00 0.00 H ATOM 187 H X 1 18.543 10.736 9.517 0.00 0.00 H ATOM 188 H X 1 19.732 9.772 10.395 0.00 0.00 H ATOM 189 H X 1 8.667 16.894 8.342 0.00 0.00 H ATOM 190 H X 1 9.782 18.257 8.036 0.00 0.00 H ATOM 191 H X 1 8.775 18.263 9.466 0.00 0.00 H ATOM 192 H X 1 13.216 16.541 3.962 0.00 0.00 H ATOM 193 H X 1 11.798 15.592 4.393 0.00 0.00 H ATOM 194 H X 1 13.293 14.781 3.943 0.00 0.00 H ATOM 195 H X 1 12.640 12.289 7.173 0.00 0.00 H ATOM 196 H X 1 13.738 11.224 8.053 0.00 0.00 H ATOM 197 H X 1 10.657 11.130 8.210 0.00 0.00 H ATOM 198 H X 1 11.749 10.035 9.057 0.00 0.00 H ATOM 199 H X 1 11.668 10.001 7.300 0.00 0.00 H ATOM 200 H X 1 9.037 6.521 12.344 0.00 0.00 H ATOM 201 H X 1 9.948 7.186 11.017 0.00 0.00 H ATOM 202 H X 1 11.065 5.291 13.176 0.00 0.00 H ATOM 203 H X 1 12.018 5.922 11.838 0.00 0.00 H ATOM 204 H X 1 10.671 4.848 11.520 0.00 0.00 H ATOM 205 H X 1 22.015 18.713 17.168 0.00 0.00 H ATOM 206 H X 1 9.151 19.017 15.581 0.00 0.00 H ATOM 207 H X 1 9.154 20.779 15.625 0.00 0.00 H ATOM 208 H X 1 10.534 19.872 16.245 0.00 0.00 H ATOM 209 H X 1 7.462 12.762 11.746 0.00 0.00 H ATOM 210 H X 1 7.259 14.023 12.948 0.00 0.00 H ATOM 211 H X 1 17.669 15.060 8.749 0.00 0.00 H ATOM 212 H X 1 18.849 16.333 9.042 0.00 0.00 H ATOM 213 H X 1 17.144 16.677 9.291 0.00 0.00 H ATOM 214 H X 1 15.163 11.700 19.053 0.00 0.00 H ATOM 215 H X 1 15.972 12.473 17.702 0.00 0.00 H ATOM 216 H X 1 16.701 7.034 17.547 0.00 0.00 H ATOM 217 H X 1 15.648 7.502 16.373 0.00 0.00 H ATOM 218 H X 1 17.608 20.441 10.212 0.00 0.00 H ATOM 219 H X 1 17.744 19.580 11.740 0.00 0.00 H ATOM 220 H X 1 16.992 21.176 11.694 0.00 0.00 H END ATOM 1 C X 1 20.956 10.386 14.803 0.00 0.00 C ATOM 2 C X 1 21.258 11.438 15.870 0.00 0.00 C ATOM 3 H X 1 22.286 11.366 16.227 0.00 0.00 H ATOM 4 H X 1 21.113 12.448 15.487 0.00 0.00 H ATOM 5 H X 1 20.597 11.296 16.727 0.00 0.00 H ATOM 6 C X 1 19.498 10.782 10.031 0.00 0.00 C ATOM 7 C X 1 19.351 11.730 11.195 0.00 0.00 C ATOM 8 O X 1 18.612 11.185 12.194 0.00 0.00 O ATOM 9 O X 1 19.804 12.839 11.228 0.00 0.00 O ATOM 10 C X 1 11.026 13.045 23.246 0.00 0.00 C ATOM 11 C X 1 10.692 13.769 21.963 0.00 0.00 C ATOM 12 C X 1 9.370 14.071 21.627 0.00 0.00 C ATOM 13 H X 1 8.571 13.758 22.288 0.00 0.00 H ATOM 14 C X 1 9.051 14.752 20.456 0.00 0.00 C ATOM 15 H X 1 8.019 14.965 20.212 0.00 0.00 H ATOM 16 C X 1 10.067 15.155 19.593 0.00 0.00 C ATOM 17 O X 1 9.794 15.800 18.401 0.00 0.00 O ATOM 18 H X 1 9.048 16.471 18.485 0.00 0.00 H ATOM 19 C X 1 11.392 14.885 19.916 0.00 0.00 C ATOM 20 H X 1 12.171 15.244 19.258 0.00 0.00 H ATOM 21 C X 1 11.692 14.192 21.084 0.00 0.00 C ATOM 22 H X 1 12.730 13.991 21.322 0.00 0.00 H ATOM 23 N X 1 16.281 7.834 17.112 0.00 0.00 N ATOM 24 C X 1 17.269 8.758 16.534 0.00 0.00 C ATOM 25 H X 1 18.249 8.575 16.981 0.00 0.00 H ATOM 26 C X 1 17.413 8.579 15.019 0.00 0.00 C ATOM 27 H X 1 18.021 9.384 14.612 0.00 0.00 H ATOM 28 H X 1 17.911 7.627 14.817 0.00 0.00 H ATOM 29 O X 1 16.103 8.568 14.433 0.00 0.00 O ATOM 30 H X 1 16.145 8.954 13.540 0.00 0.00 H ATOM 31 C X 1 16.944 10.225 16.868 0.00 0.00 C ATOM 32 O X 1 17.733 11.128 16.539 0.00 0.00 O ATOM 33 N X 1 15.790 10.419 17.516 0.00 0.00 N ATOM 34 H X 1 15.342 9.549 17.791 0.00 0.00 H ATOM 35 C X 1 15.256 11.705 17.950 0.00 0.00 C ATOM 36 C X 1 13.884 12.028 17.348 0.00 0.00 C ATOM 37 H X 1 13.194 11.189 17.457 0.00 0.00 H ATOM 38 H X 1 13.431 12.848 17.912 0.00 0.00 H ATOM 39 C X 1 13.847 12.469 15.894 0.00 0.00 C ATOM 40 O X 1 12.730 12.712 15.360 0.00 0.00 O ATOM 41 O X 1 14.973 12.588 15.313 0.00 0.00 O ATOM 42 C X 1 21.419 18.321 16.330 0.00 0.00 C ATOM 43 O X 1 20.736 17.304 16.526 0.00 0.00 O ATOM 44 N X 1 21.467 18.994 15.181 0.00 0.00 N ATOM 45 H X 1 20.888 18.721 14.370 0.00 0.00 H ATOM 46 H X 1 22.066 19.799 15.098 0.00 0.00 H ATOM 47 C X 1 9.793 19.898 15.449 0.00 0.00 C ATOM 48 C X 1 10.436 19.935 14.066 0.00 0.00 C ATOM 49 H X 1 9.690 19.955 13.272 0.00 0.00 H ATOM 50 H X 1 11.036 20.842 13.938 0.00 0.00 H ATOM 51 C X 1 11.370 18.766 13.795 0.00 0.00 C ATOM 52 O X 1 11.903 18.122 14.698 0.00 0.00 O ATOM 53 O X 1 11.546 18.542 12.512 0.00 0.00 O ATOM 54 C X 1 7.697 21.269 19.863 0.00 0.00 C ATOM 55 C X 1 7.629 19.875 19.346 0.00 0.00 C ATOM 56 N X 1 6.440 19.253 19.001 0.00 0.00 N ATOM 57 H X 1 5.519 19.660 19.063 0.00 0.00 H ATOM 58 C X 1 6.723 17.987 18.591 0.00 0.00 C ATOM 59 H X 1 5.969 17.286 18.277 0.00 0.00 H ATOM 60 N X 1 8.016 17.767 18.648 0.00 0.00 N ATOM 61 C X 1 8.590 18.933 19.116 0.00 0.00 C ATOM 62 H X 1 9.654 19.008 19.262 0.00 0.00 H ATOM 63 C X 1 17.098 20.233 11.142 0.00 0.00 C ATOM 64 C X 1 15.770 19.599 10.922 0.00 0.00 C ATOM 65 N X 1 14.801 20.129 10.074 0.00 0.00 N ATOM 66 H X 1 14.900 20.975 9.533 0.00 0.00 H ATOM 67 C X 1 13.692 19.360 10.128 0.00 0.00 C ATOM 68 H X 1 12.776 19.551 9.599 0.00 0.00 H ATOM 69 N X 1 13.896 18.354 10.959 0.00 0.00 N ATOM 70 C X 1 15.184 18.491 11.459 0.00 0.00 C ATOM 71 H X 1 15.579 17.804 12.183 0.00 0.00 H ATOM 72 C X 1 17.910 15.915 9.383 0.00 0.00 C ATOM 73 C X 1 18.066 15.466 10.829 0.00 0.00 C ATOM 74 H X 1 18.868 14.732 10.930 0.00 0.00 H ATOM 75 H X 1 18.380 16.299 11.470 0.00 0.00 H ATOM 76 C X 1 16.863 14.833 11.467 0.00 0.00 C ATOM 77 O X 1 15.762 14.699 10.835 0.00 0.00 O ATOM 78 O X 1 17.042 14.439 12.663 0.00 0.00 O ATOM 79 C X 1 12.880 15.638 4.471 0.00 0.00 C ATOM 80 C X 1 13.291 15.642 5.903 0.00 0.00 C ATOM 81 N X 1 14.626 15.666 6.297 0.00 0.00 N ATOM 82 C X 1 14.709 15.665 7.637 0.00 0.00 C ATOM 83 H X 1 15.611 15.654 8.222 0.00 0.00 H ATOM 84 N X 1 13.480 15.651 8.120 0.00 0.00 N ATOM 85 H X 1 13.267 15.618 9.176 0.00 0.00 H ATOM 86 C X 1 12.582 15.629 7.067 0.00 0.00 C ATOM 87 H X 1 11.523 15.575 7.235 0.00 0.00 H ATOM 88 C X 1 9.345 17.612 8.789 0.00 0.00 C ATOM 89 C X 1 10.410 16.905 9.578 0.00 0.00 C ATOM 90 O X 1 10.321 15.645 9.710 0.00 0.00 O ATOM 91 O X 1 11.354 17.600 10.071 0.00 0.00 O ATOM 92 C X 1 7.784 13.082 12.734 0.00 0.00 C ATOM 93 C X 1 7.466 12.008 13.775 0.00 0.00 C ATOM 94 H X 1 7.853 12.287 14.753 0.00 0.00 H ATOM 95 H X 1 6.390 11.861 13.866 0.00 0.00 H ATOM 96 H X 1 7.901 11.044 13.500 0.00 0.00 H ATOM 97 C X 1 9.253 13.454 12.678 0.00 0.00 C ATOM 98 O X 1 9.918 13.564 13.727 0.00 0.00 O ATOM 99 O X 1 9.714 13.662 11.483 0.00 0.00 O ATOM 100 C X 1 11.638 10.658 8.167 0.00 0.00 C ATOM 101 C X 1 12.767 11.694 8.092 0.00 0.00 C ATOM 102 C X 1 12.755 12.680 9.241 0.00 0.00 C ATOM 103 O X 1 11.666 13.296 9.475 0.00 0.00 O ATOM 104 O X 1 13.836 12.873 9.884 0.00 0.00 O ATOM 105 C X 1 11.012 5.673 12.152 0.00 0.00 C ATOM 106 C X 1 10.039 6.853 12.073 0.00 0.00 C ATOM 107 C X 1 10.387 8.047 12.966 0.00 0.00 C ATOM 108 H X 1 9.555 8.754 12.941 0.00 0.00 H ATOM 109 H X 1 10.521 7.722 14.001 0.00 0.00 H ATOM 110 N X 1 11.610 8.723 12.507 0.00 0.00 N ATOM 111 H X 1 12.128 8.289 11.758 0.00 0.00 H ATOM 112 C X 1 12.137 9.847 13.029 0.00 0.00 C ATOM 113 N X 1 11.447 10.575 13.908 0.00 0.00 N ATOM 114 H X 1 10.445 10.501 13.963 0.00 0.00 H ATOM 115 H X 1 11.877 11.387 14.358 0.00 0.00 H ATOM 116 N X 1 13.360 10.225 12.675 0.00 0.00 N ATOM 117 H X 1 14.017 9.588 12.248 0.00 0.00 H ATOM 118 H X 1 13.713 11.172 12.829 0.00 0.00 H ATOM 119 O X 1 11.167 15.849 12.283 0.00 0.00 O ATOM 120 Ca X 1 12.088 14.733 14.240 0.00 0.00 CA ATOM 121 Mn X 1 12.436 17.060 11.715 0.00 0.00 MN ATOM 122 O X 1 12.371 13.448 12.111 0.00 0.00 O ATOM 123 Mn X 1 11.368 14.525 11.028 0.00 0.00 MN ATOM 124 O X 1 13.035 15.459 10.717 0.00 0.00 O ATOM 125 Mn X 1 14.094 13.911 11.635 0.00 0.00 MN ATOM 126 O X 1 15.056 12.530 12.421 0.00 0.00 O ATOM 127 Mn X 1 15.834 13.482 13.816 0.00 0.00 MN ATOM 128 O X 1 13.461 16.814 13.091 0.00 0.00 O ATOM 129 O X 1 13.749 15.993 15.613 0.00 0.00 O ATOM 130 O X 1 14.385 14.624 13.261 0.00 0.00 O ATOM 131 O X 1 16.277 14.886 15.219 0.00 0.00 O ATOM 132 O X 1 17.274 12.367 14.081 0.00 0.00 O ATOM 133 H X 1 15.435 15.389 15.355 0.00 0.00 H ATOM 134 H X 1 13.486 16.505 16.437 0.00 0.00 H ATOM 135 H X 1 13.704 16.657 14.897 0.00 0.00 H ATOM 136 H X 1 18.316 11.828 12.920 0.00 0.00 H ATOM 137 H X 1 17.044 15.540 15.039 0.00 0.00 H ATOM 138 H X 1 17.403 12.018 14.990 0.00 0.00 H ATOM 139 H X 1 15.423 15.668 5.674 0.00 0.00 H ATOM 140 Cl X 1 19.551 18.161 12.733 0.00 0.00 CL ATOM 141 O X 1 10.331 15.227 15.843 0.00 0.00 O ATOM 142 H X 1 9.759 14.466 15.664 0.00 0.00 H ATOM 143 H X 1 10.263 15.433 16.812 0.00 0.00 H ATOM 144 O X 1 7.528 16.261 14.873 0.00 0.00 O ATOM 145 H X 1 7.039 16.083 15.685 0.00 0.00 H ATOM 146 H X 1 8.463 16.207 15.127 0.00 0.00 H ATOM 147 O X 1 16.129 10.056 11.903 0.00 0.00 O ATOM 148 H X 1 17.097 10.209 11.936 0.00 0.00 H ATOM 149 H X 1 15.785 10.964 12.092 0.00 0.00 H ATOM 150 O X 1 12.953 17.501 17.587 0.00 0.00 O ATOM 151 H X 1 13.686 17.813 18.180 0.00 0.00 H ATOM 152 H X 1 12.641 18.240 17.049 0.00 0.00 H ATOM 153 O X 1 15.047 17.926 19.171 0.00 0.00 O ATOM 154 H X 1 15.593 18.719 19.200 0.00 0.00 H ATOM 155 H X 1 15.656 17.172 18.943 0.00 0.00 H ATOM 156 O X 1 19.166 13.042 18.357 0.00 0.00 O ATOM 157 H X 1 20.042 12.733 18.095 0.00 0.00 H ATOM 158 H X 1 18.567 12.598 17.730 0.00 0.00 H ATOM 159 O X 1 16.549 15.848 18.371 0.00 0.00 O ATOM 160 H X 1 16.437 15.701 17.422 0.00 0.00 H ATOM 161 H X 1 17.533 15.911 18.483 0.00 0.00 H ATOM 162 O X 1 15.927 10.796 9.155 0.00 0.00 O ATOM 163 H X 1 15.616 11.675 9.414 0.00 0.00 H ATOM 164 H X 1 15.962 10.317 10.004 0.00 0.00 H ATOM 165 O X 1 21.361 14.800 14.561 0.00 0.00 O ATOM 166 H X 1 21.269 15.590 15.112 0.00 0.00 H ATOM 167 H X 1 21.040 15.069 13.690 0.00 0.00 H ATOM 168 O X 1 18.179 16.621 14.972 0.00 0.00 O ATOM 169 H X 1 18.872 16.717 15.647 0.00 0.00 H ATOM 170 H X 1 18.573 17.040 14.162 0.00 0.00 H ATOM 171 O X 1 19.241 15.845 18.469 0.00 0.00 O ATOM 172 H X 1 19.378 14.887 18.329 0.00 0.00 H ATOM 173 H X 1 19.873 16.336 17.911 0.00 0.00 H ATOM 174 O X 1 7.273 20.307 9.714 0.00 0.00 O ATOM 175 H X 1 6.310 20.374 9.746 0.00 0.00 H ATOM 176 H X 1 7.594 21.214 9.784 0.00 0.00 H ATOM 177 H X 1 8.732 21.539 20.064 0.00 0.00 H ATOM 178 H X 1 7.139 21.382 20.795 0.00 0.00 H ATOM 179 H X 1 7.298 21.991 19.147 0.00 0.00 H ATOM 180 H X 1 11.950 12.473 23.156 0.00 0.00 H ATOM 181 H X 1 10.234 12.352 23.533 0.00 0.00 H ATOM 182 H X 1 11.159 13.742 24.077 0.00 0.00 H ATOM 183 H X 1 21.619 10.485 13.943 0.00 0.00 H ATOM 184 H X 1 19.937 10.488 14.435 0.00 0.00 H ATOM 185 H X 1 21.068 9.371 15.190 0.00 0.00 H ATOM 186 H X 1 20.265 11.159 9.361 0.00 0.00 H ATOM 187 H X 1 18.548 10.726 9.494 0.00 0.00 H ATOM 188 H X 1 19.751 9.779 10.369 0.00 0.00 H ATOM 189 H X 1 8.670 16.895 8.333 0.00 0.00 H ATOM 190 H X 1 9.790 18.254 8.029 0.00 0.00 H ATOM 191 H X 1 8.778 18.265 9.456 0.00 0.00 H ATOM 192 H X 1 13.219 16.538 3.954 0.00 0.00 H ATOM 193 H X 1 11.797 15.596 4.389 0.00 0.00 H ATOM 194 H X 1 13.288 14.777 3.937 0.00 0.00 H ATOM 195 H X 1 12.657 12.282 7.176 0.00 0.00 H ATOM 196 H X 1 13.743 11.214 8.067 0.00 0.00 H ATOM 197 H X 1 10.660 11.134 8.201 0.00 0.00 H ATOM 198 H X 1 11.740 10.034 9.056 0.00 0.00 H ATOM 199 H X 1 11.674 10.001 7.299 0.00 0.00 H ATOM 200 H X 1 9.043 6.517 12.369 0.00 0.00 H ATOM 201 H X 1 9.940 7.199 11.041 0.00 0.00 H ATOM 202 H X 1 11.081 5.283 13.168 0.00 0.00 H ATOM 203 H X 1 12.022 5.930 11.829 0.00 0.00 H ATOM 204 H X 1 10.673 4.859 11.511 0.00 0.00 H ATOM 205 H X 1 22.051 18.736 17.127 0.00 0.00 H ATOM 206 H X 1 9.161 19.018 15.566 0.00 0.00 H ATOM 207 H X 1 9.171 20.780 15.607 0.00 0.00 H ATOM 208 H X 1 10.545 19.869 16.234 0.00 0.00 H ATOM 209 H X 1 7.448 12.798 11.738 0.00 0.00 H ATOM 210 H X 1 7.269 14.013 12.992 0.00 0.00 H ATOM 211 H X 1 17.666 15.075 8.729 0.00 0.00 H ATOM 212 H X 1 18.849 16.341 9.032 0.00 0.00 H ATOM 213 H X 1 17.146 16.688 9.287 0.00 0.00 H ATOM 214 H X 1 15.162 11.694 19.037 0.00 0.00 H ATOM 215 H X 1 15.981 12.473 17.694 0.00 0.00 H ATOM 216 H X 1 16.723 7.043 17.563 0.00 0.00 H ATOM 217 H X 1 15.664 7.488 16.386 0.00 0.00 H ATOM 218 H X 1 17.609 20.442 10.200 0.00 0.00 H ATOM 219 H X 1 17.749 19.581 11.728 0.00 0.00 H ATOM 220 H X 1 16.996 21.177 11.684 0.00 0.00 H END ATOM 1 C X 1 20.966 10.384 14.796 0.00 0.00 C ATOM 2 C X 1 21.269 11.434 15.865 0.00 0.00 C ATOM 3 H X 1 22.313 11.402 16.178 0.00 0.00 H ATOM 4 H X 1 21.068 12.442 15.502 0.00 0.00 H ATOM 5 H X 1 20.653 11.250 16.746 0.00 0.00 H ATOM 6 C X 1 19.505 10.783 10.018 0.00 0.00 C ATOM 7 C X 1 19.356 11.705 11.201 0.00 0.00 C ATOM 8 O X 1 18.558 11.173 12.157 0.00 0.00 O ATOM 9 O X 1 19.864 12.793 11.288 0.00 0.00 O ATOM 10 C X 1 11.030 13.051 23.236 0.00 0.00 C ATOM 11 C X 1 10.672 13.760 21.953 0.00 0.00 C ATOM 12 C X 1 9.342 14.009 21.611 0.00 0.00 C ATOM 13 H X 1 8.552 13.667 22.268 0.00 0.00 H ATOM 14 C X 1 9.002 14.677 20.438 0.00 0.00 C ATOM 15 H X 1 7.964 14.848 20.185 0.00 0.00 H ATOM 16 C X 1 10.004 15.119 19.579 0.00 0.00 C ATOM 17 O X 1 9.708 15.749 18.382 0.00 0.00 O ATOM 18 H X 1 8.973 16.427 18.475 0.00 0.00 H ATOM 19 C X 1 11.337 14.901 19.906 0.00 0.00 C ATOM 20 H X 1 12.105 15.289 19.251 0.00 0.00 H ATOM 21 C X 1 11.659 14.221 21.077 0.00 0.00 C ATOM 22 H X 1 12.703 14.060 21.320 0.00 0.00 H ATOM 23 N X 1 16.289 7.833 17.124 0.00 0.00 N ATOM 24 C X 1 17.267 8.761 16.536 0.00 0.00 C ATOM 25 H X 1 18.250 8.585 16.978 0.00 0.00 H ATOM 26 C X 1 17.405 8.578 15.021 0.00 0.00 C ATOM 27 H X 1 18.011 9.382 14.610 0.00 0.00 H ATOM 28 H X 1 17.902 7.625 14.820 0.00 0.00 H ATOM 29 O X 1 16.092 8.564 14.439 0.00 0.00 O ATOM 30 H X 1 16.136 8.933 13.539 0.00 0.00 H ATOM 31 C X 1 16.938 10.228 16.865 0.00 0.00 C ATOM 32 O X 1 17.727 11.131 16.537 0.00 0.00 O ATOM 33 N X 1 15.781 10.421 17.509 0.00 0.00 N ATOM 34 H X 1 15.335 9.553 17.791 0.00 0.00 H ATOM 35 C X 1 15.253 11.710 17.941 0.00 0.00 C ATOM 36 C X 1 13.896 12.051 17.320 0.00 0.00 C ATOM 37 H X 1 13.197 11.216 17.410 0.00 0.00 H ATOM 38 H X 1 13.437 12.868 17.884 0.00 0.00 H ATOM 39 C X 1 13.891 12.499 15.866 0.00 0.00 C ATOM 40 O X 1 12.787 12.764 15.314 0.00 0.00 O ATOM 41 O X 1 15.025 12.593 15.300 0.00 0.00 O ATOM 42 C X 1 21.434 18.305 16.304 0.00 0.00 C ATOM 43 O X 1 20.729 17.311 16.533 0.00 0.00 O ATOM 44 N X 1 21.488 18.941 15.134 0.00 0.00 N ATOM 45 H X 1 20.890 18.657 14.341 0.00 0.00 H ATOM 46 H X 1 22.109 19.725 15.016 0.00 0.00 H ATOM 47 C X 1 9.803 19.906 15.440 0.00 0.00 C ATOM 48 C X 1 10.452 19.944 14.059 0.00 0.00 C ATOM 49 H X 1 9.709 19.969 13.263 0.00 0.00 H ATOM 50 H X 1 11.058 20.847 13.935 0.00 0.00 H ATOM 51 C X 1 11.377 18.768 13.791 0.00 0.00 C ATOM 52 O X 1 11.903 18.119 14.695 0.00 0.00 O ATOM 53 O X 1 11.552 18.545 12.509 0.00 0.00 O ATOM 54 C X 1 7.706 21.271 19.852 0.00 0.00 C ATOM 55 C X 1 7.606 19.872 19.351 0.00 0.00 C ATOM 56 N X 1 6.396 19.251 19.083 0.00 0.00 N ATOM 57 H X 1 5.482 19.660 19.206 0.00 0.00 H ATOM 58 C X 1 6.650 17.980 18.671 0.00 0.00 C ATOM 59 H X 1 5.875 17.277 18.419 0.00 0.00 H ATOM 60 N X 1 7.945 17.756 18.648 0.00 0.00 N ATOM 61 C X 1 8.549 18.925 19.070 0.00 0.00 C ATOM 62 H X 1 9.620 18.998 19.155 0.00 0.00 H ATOM 63 C X 1 17.105 20.230 11.136 0.00 0.00 C ATOM 64 C X 1 15.777 19.593 10.921 0.00 0.00 C ATOM 65 N X 1 14.807 20.118 10.072 0.00 0.00 N ATOM 66 H X 1 14.906 20.958 9.521 0.00 0.00 H ATOM 67 C X 1 13.700 19.346 10.128 0.00 0.00 C ATOM 68 H X 1 12.786 19.530 9.594 0.00 0.00 H ATOM 69 N X 1 13.906 18.344 10.965 0.00 0.00 N ATOM 70 C X 1 15.193 18.487 11.464 0.00 0.00 C ATOM 71 H X 1 15.591 17.804 12.191 0.00 0.00 H ATOM 72 C X 1 17.921 15.923 9.359 0.00 0.00 C ATOM 73 C X 1 18.078 15.454 10.796 0.00 0.00 C ATOM 74 H X 1 18.872 14.709 10.890 0.00 0.00 H ATOM 75 H X 1 18.404 16.274 11.448 0.00 0.00 H ATOM 76 C X 1 16.871 14.832 11.433 0.00 0.00 C ATOM 77 O X 1 15.766 14.700 10.808 0.00 0.00 O ATOM 78 O X 1 17.055 14.438 12.629 0.00 0.00 O ATOM 79 C X 1 12.886 15.634 4.467 0.00 0.00 C ATOM 80 C X 1 13.297 15.638 5.900 0.00 0.00 C ATOM 81 N X 1 14.632 15.658 6.294 0.00 0.00 N ATOM 82 C X 1 14.714 15.654 7.634 0.00 0.00 C ATOM 83 H X 1 15.615 15.637 8.220 0.00 0.00 H ATOM 84 N X 1 13.484 15.644 8.117 0.00 0.00 N ATOM 85 H X 1 13.270 15.614 9.170 0.00 0.00 H ATOM 86 C X 1 12.586 15.627 7.063 0.00 0.00 C ATOM 87 H X 1 11.527 15.578 7.230 0.00 0.00 H ATOM 88 C X 1 9.357 17.611 8.780 0.00 0.00 C ATOM 89 C X 1 10.418 16.902 9.574 0.00 0.00 C ATOM 90 O X 1 10.328 15.641 9.704 0.00 0.00 O ATOM 91 O X 1 11.361 17.596 10.070 0.00 0.00 O ATOM 92 C X 1 7.785 13.083 12.735 0.00 0.00 C ATOM 93 C X 1 7.478 11.964 13.732 0.00 0.00 C ATOM 94 H X 1 7.879 12.199 14.716 0.00 0.00 H ATOM 95 H X 1 6.403 11.818 13.831 0.00 0.00 H ATOM 96 H X 1 7.904 11.012 13.406 0.00 0.00 H ATOM 97 C X 1 9.254 13.454 12.678 0.00 0.00 C ATOM 98 O X 1 9.919 13.567 13.726 0.00 0.00 O ATOM 99 O X 1 9.715 13.661 11.483 0.00 0.00 O ATOM 100 C X 1 11.635 10.659 8.167 0.00 0.00 C ATOM 101 C X 1 12.768 11.691 8.108 0.00 0.00 C ATOM 102 C X 1 12.756 12.671 9.261 0.00 0.00 C ATOM 103 O X 1 11.663 13.273 9.510 0.00 0.00 O ATOM 104 O X 1 13.841 12.874 9.893 0.00 0.00 O ATOM 105 C X 1 11.010 5.677 12.151 0.00 0.00 C ATOM 106 C X 1 10.031 6.854 12.097 0.00 0.00 C ATOM 107 C X 1 10.381 8.037 13.001 0.00 0.00 C ATOM 108 H X 1 9.541 8.735 13.004 0.00 0.00 H ATOM 109 H X 1 10.545 7.701 14.028 0.00 0.00 H ATOM 110 N X 1 11.583 8.737 12.520 0.00 0.00 N ATOM 111 H X 1 12.123 8.284 11.798 0.00 0.00 H ATOM 112 C X 1 12.108 9.860 13.044 0.00 0.00 C ATOM 113 N X 1 11.418 10.587 13.925 0.00 0.00 N ATOM 114 H X 1 10.416 10.517 13.978 0.00 0.00 H ATOM 115 H X 1 11.849 11.406 14.360 0.00 0.00 H ATOM 116 N X 1 13.329 10.241 12.687 0.00 0.00 N ATOM 117 H X 1 13.996 9.602 12.278 0.00 0.00 H ATOM 118 H X 1 13.681 11.186 12.851 0.00 0.00 H ATOM 119 O X 1 11.149 15.863 12.273 0.00 0.00 O ATOM 120 Ca X 1 12.092 14.774 14.241 0.00 0.00 CA ATOM 121 Mn X 1 12.435 17.060 11.719 0.00 0.00 MN ATOM 122 O X 1 12.374 13.471 12.138 0.00 0.00 O ATOM 123 Mn X 1 11.368 14.526 11.032 0.00 0.00 MN ATOM 124 O X 1 13.035 15.458 10.723 0.00 0.00 O ATOM 125 Mn X 1 14.092 13.917 11.632 0.00 0.00 MN ATOM 126 O X 1 15.048 12.531 12.403 0.00 0.00 O ATOM 127 Mn X 1 15.843 13.489 13.769 0.00 0.00 MN ATOM 128 O X 1 13.430 16.807 13.127 0.00 0.00 O ATOM 129 O X 1 13.747 15.951 15.677 0.00 0.00 O ATOM 130 O X 1 14.418 14.650 13.239 0.00 0.00 O ATOM 131 O X 1 16.294 14.874 15.201 0.00 0.00 O ATOM 132 O X 1 17.283 12.365 14.033 0.00 0.00 O ATOM 133 H X 1 15.453 15.357 15.383 0.00 0.00 H ATOM 134 H X 1 13.485 16.457 16.502 0.00 0.00 H ATOM 135 H X 1 13.742 16.628 14.973 0.00 0.00 H ATOM 136 H X 1 18.273 11.808 12.901 0.00 0.00 H ATOM 137 H X 1 17.047 15.553 15.061 0.00 0.00 H ATOM 138 H X 1 17.402 12.028 14.945 0.00 0.00 H ATOM 139 H X 1 15.428 15.652 5.672 0.00 0.00 H ATOM 140 Cl X 1 19.511 18.083 12.743 0.00 0.00 CL ATOM 141 O X 1 10.320 15.226 15.833 0.00 0.00 O ATOM 142 H X 1 9.737 14.487 15.600 0.00 0.00 H ATOM 143 H X 1 10.216 15.397 16.806 0.00 0.00 H ATOM 144 O X 1 7.616 16.273 14.875 0.00 0.00 O ATOM 145 H X 1 7.144 16.288 15.715 0.00 0.00 H ATOM 146 H X 1 8.556 16.257 15.117 0.00 0.00 H ATOM 147 O X 1 16.107 10.049 11.893 0.00 0.00 O ATOM 148 H X 1 17.076 10.206 11.919 0.00 0.00 H ATOM 149 H X 1 15.767 10.958 12.078 0.00 0.00 H ATOM 150 O X 1 12.952 17.493 17.663 0.00 0.00 O ATOM 151 H X 1 13.701 17.824 18.226 0.00 0.00 H ATOM 152 H X 1 12.626 18.226 17.125 0.00 0.00 H ATOM 153 O X 1 15.062 18.015 19.175 0.00 0.00 O ATOM 154 H X 1 15.586 18.823 19.175 0.00 0.00 H ATOM 155 H X 1 15.693 17.269 18.988 0.00 0.00 H ATOM 156 O X 1 19.255 13.045 18.282 0.00 0.00 O ATOM 157 H X 1 20.111 12.742 17.953 0.00 0.00 H ATOM 158 H X 1 18.613 12.603 17.698 0.00 0.00 H ATOM 159 O X 1 16.629 15.940 18.458 0.00 0.00 O ATOM 160 H X 1 16.520 15.811 17.506 0.00 0.00 H ATOM 161 H X 1 17.615 15.965 18.579 0.00 0.00 H ATOM 162 O X 1 15.855 10.765 9.102 0.00 0.00 O ATOM 163 H X 1 15.606 11.661 9.375 0.00 0.00 H ATOM 164 H X 1 15.914 10.290 9.951 0.00 0.00 H ATOM 165 O X 1 21.444 14.880 14.616 0.00 0.00 O ATOM 166 H X 1 21.259 15.669 15.147 0.00 0.00 H ATOM 167 H X 1 21.173 15.116 13.719 0.00 0.00 H ATOM 168 O X 1 18.105 16.702 15.057 0.00 0.00 O ATOM 169 H X 1 18.827 16.757 15.706 0.00 0.00 H ATOM 170 H X 1 18.509 17.065 14.224 0.00 0.00 H ATOM 171 O X 1 19.325 15.843 18.561 0.00 0.00 O ATOM 172 H X 1 19.444 14.887 18.384 0.00 0.00 H ATOM 173 H X 1 19.919 16.339 17.969 0.00 0.00 H ATOM 174 O X 1 7.264 20.307 9.708 0.00 0.00 O ATOM 175 H X 1 6.299 20.322 9.738 0.00 0.00 H ATOM 176 H X 1 7.534 21.232 9.755 0.00 0.00 H ATOM 177 H X 1 8.752 21.540 19.991 0.00 0.00 H ATOM 178 H X 1 7.204 21.395 20.814 0.00 0.00 H ATOM 179 H X 1 7.270 21.988 19.153 0.00 0.00 H ATOM 180 H X 1 11.952 12.476 23.134 0.00 0.00 H ATOM 181 H X 1 10.243 12.364 23.548 0.00 0.00 H ATOM 182 H X 1 11.183 13.759 24.055 0.00 0.00 H ATOM 183 H X 1 21.584 10.524 13.909 0.00 0.00 H ATOM 184 H X 1 19.927 10.445 14.477 0.00 0.00 H ATOM 185 H X 1 21.141 9.371 15.164 0.00 0.00 H ATOM 186 H X 1 20.266 11.178 9.353 0.00 0.00 H ATOM 187 H X 1 18.555 10.718 9.481 0.00 0.00 H ATOM 188 H X 1 19.773 9.777 10.338 0.00 0.00 H ATOM 189 H X 1 8.680 16.897 8.323 0.00 0.00 H ATOM 190 H X 1 9.807 18.251 8.021 0.00 0.00 H ATOM 191 H X 1 8.791 18.268 9.444 0.00 0.00 H ATOM 192 H X 1 13.229 16.532 3.949 0.00 0.00 H ATOM 193 H X 1 11.802 15.599 4.385 0.00 0.00 H ATOM 194 H X 1 13.289 14.770 3.934 0.00 0.00 H ATOM 195 H X 1 12.671 12.286 7.194 0.00 0.00 H ATOM 196 H X 1 13.741 11.207 8.090 0.00 0.00 H ATOM 197 H X 1 10.657 11.136 8.190 0.00 0.00 H ATOM 198 H X 1 11.727 10.033 9.055 0.00 0.00 H ATOM 199 H X 1 11.681 10.004 7.297 0.00 0.00 H ATOM 200 H X 1 9.040 6.508 12.397 0.00 0.00 H ATOM 201 H X 1 9.922 7.213 11.070 0.00 0.00 H ATOM 202 H X 1 11.091 5.273 13.161 0.00 0.00 H ATOM 203 H X 1 12.016 5.941 11.821 0.00 0.00 H ATOM 204 H X 1 10.668 4.870 11.502 0.00 0.00 H ATOM 205 H X 1 22.081 18.731 17.084 0.00 0.00 H ATOM 206 H X 1 9.169 19.027 15.551 0.00 0.00 H ATOM 207 H X 1 9.184 20.789 15.599 0.00 0.00 H ATOM 208 H X 1 10.554 19.872 16.226 0.00 0.00 H ATOM 209 H X 1 7.437 12.843 11.732 0.00 0.00 H ATOM 210 H X 1 7.277 14.003 13.042 0.00 0.00 H ATOM 211 H X 1 17.670 15.094 8.693 0.00 0.00 H ATOM 212 H X 1 18.860 16.351 9.010 0.00 0.00 H ATOM 213 H X 1 17.158 16.699 9.277 0.00 0.00 H ATOM 214 H X 1 15.147 11.696 19.027 0.00 0.00 H ATOM 215 H X 1 15.990 12.470 17.695 0.00 0.00 H ATOM 216 H X 1 16.739 7.053 17.584 0.00 0.00 H ATOM 217 H X 1 15.674 7.471 16.402 0.00 0.00 H ATOM 218 H X 1 17.611 20.439 10.191 0.00 0.00 H ATOM 219 H X 1 17.757 19.578 11.720 0.00 0.00 H ATOM 220 H X 1 17.004 21.175 11.676 0.00 0.00 H END ATOM 1 C X 1 20.978 10.388 14.794 0.00 0.00 C ATOM 2 C X 1 21.281 11.437 15.864 0.00 0.00 C ATOM 3 H X 1 22.336 11.443 16.137 0.00 0.00 H ATOM 4 H X 1 21.028 12.440 15.519 0.00 0.00 H ATOM 5 H X 1 20.707 11.218 16.767 0.00 0.00 H ATOM 6 C X 1 19.516 10.780 10.003 0.00 0.00 C ATOM 7 C X 1 19.359 11.678 11.204 0.00 0.00 C ATOM 8 O X 1 18.564 11.120 12.151 0.00 0.00 O ATOM 9 O X 1 19.855 12.764 11.309 0.00 0.00 O ATOM 10 C X 1 11.031 13.057 23.221 0.00 0.00 C ATOM 11 C X 1 10.648 13.756 21.937 0.00 0.00 C ATOM 12 C X 1 9.310 13.951 21.590 0.00 0.00 C ATOM 13 H X 1 8.532 13.572 22.243 0.00 0.00 H ATOM 14 C X 1 8.948 14.610 20.418 0.00 0.00 C ATOM 15 H X 1 7.904 14.736 20.160 0.00 0.00 H ATOM 16 C X 1 9.935 15.102 19.569 0.00 0.00 C ATOM 17 O X 1 9.621 15.739 18.379 0.00 0.00 O ATOM 18 H X 1 8.874 16.400 18.483 0.00 0.00 H ATOM 19 C X 1 11.275 14.929 19.899 0.00 0.00 C ATOM 20 H X 1 12.031 15.347 19.247 0.00 0.00 H ATOM 21 C X 1 11.620 14.257 21.067 0.00 0.00 C ATOM 22 H X 1 12.667 14.135 21.312 0.00 0.00 H ATOM 23 N X 1 16.299 7.832 17.132 0.00 0.00 N ATOM 24 C X 1 17.263 8.765 16.529 0.00 0.00 C ATOM 25 H X 1 18.248 8.610 16.974 0.00 0.00 H ATOM 26 C X 1 17.405 8.559 15.018 0.00 0.00 C ATOM 27 H X 1 17.983 9.376 14.592 0.00 0.00 H ATOM 28 H X 1 17.934 7.620 14.831 0.00 0.00 H ATOM 29 O X 1 16.093 8.491 14.436 0.00 0.00 O ATOM 30 H X 1 16.112 8.891 13.550 0.00 0.00 H ATOM 31 C X 1 16.912 10.232 16.836 0.00 0.00 C ATOM 32 O X 1 17.678 11.143 16.480 0.00 0.00 O ATOM 33 N X 1 15.767 10.420 17.504 0.00 0.00 N ATOM 34 H X 1 15.335 9.551 17.808 0.00 0.00 H ATOM 35 C X 1 15.248 11.713 17.936 0.00 0.00 C ATOM 36 C X 1 13.896 12.062 17.312 0.00 0.00 C ATOM 37 H X 1 13.194 11.230 17.398 0.00 0.00 H ATOM 38 H X 1 13.439 12.882 17.874 0.00 0.00 H ATOM 39 C X 1 13.897 12.510 15.858 0.00 0.00 C ATOM 40 O X 1 12.792 12.775 15.308 0.00 0.00 O ATOM 41 O X 1 15.030 12.605 15.289 0.00 0.00 O ATOM 42 C X 1 21.444 18.290 16.281 0.00 0.00 C ATOM 43 O X 1 20.716 17.321 16.544 0.00 0.00 O ATOM 44 N X 1 21.505 18.888 15.092 0.00 0.00 N ATOM 45 H X 1 20.889 18.600 14.315 0.00 0.00 H ATOM 46 H X 1 22.151 19.647 14.941 0.00 0.00 H ATOM 47 C X 1 9.813 19.919 15.434 0.00 0.00 C ATOM 48 C X 1 10.465 19.957 14.055 0.00 0.00 C ATOM 49 H X 1 9.725 19.988 13.257 0.00 0.00 H ATOM 50 H X 1 11.079 20.854 13.934 0.00 0.00 H ATOM 51 C X 1 11.382 18.775 13.785 0.00 0.00 C ATOM 52 O X 1 11.901 18.120 14.689 0.00 0.00 O ATOM 53 O X 1 11.553 18.554 12.502 0.00 0.00 O ATOM 54 C X 1 7.711 21.272 19.844 0.00 0.00 C ATOM 55 C X 1 7.569 19.869 19.365 0.00 0.00 C ATOM 56 N X 1 6.340 19.253 19.184 0.00 0.00 N ATOM 57 H X 1 5.439 19.669 19.357 0.00 0.00 H ATOM 58 C X 1 6.559 17.976 18.766 0.00 0.00 C ATOM 59 H X 1 5.766 17.275 18.571 0.00 0.00 H ATOM 60 N X 1 7.848 17.743 18.662 0.00 0.00 N ATOM 61 C X 1 8.485 18.912 19.032 0.00 0.00 C ATOM 62 H X 1 9.559 18.980 19.046 0.00 0.00 H ATOM 63 C X 1 17.113 20.234 11.136 0.00 0.00 C ATOM 64 C X 1 15.786 19.593 10.926 0.00 0.00 C ATOM 65 N X 1 14.816 20.115 10.075 0.00 0.00 N ATOM 66 H X 1 14.914 20.952 9.519 0.00 0.00 H ATOM 67 C X 1 13.710 19.341 10.131 0.00 0.00 C ATOM 68 H X 1 12.797 19.523 9.595 0.00 0.00 H ATOM 69 N X 1 13.916 18.341 10.971 0.00 0.00 N ATOM 70 C X 1 15.203 18.487 11.471 0.00 0.00 C ATOM 71 H X 1 15.603 17.805 12.197 0.00 0.00 H ATOM 72 C X 1 17.935 15.939 9.335 0.00 0.00 C ATOM 73 C X 1 18.089 15.444 10.764 0.00 0.00 C ATOM 74 H X 1 18.876 14.691 10.847 0.00 0.00 H ATOM 75 H X 1 18.421 16.251 11.429 0.00 0.00 H ATOM 76 C X 1 16.874 14.826 11.393 0.00 0.00 C ATOM 77 O X 1 15.769 14.701 10.767 0.00 0.00 O ATOM 78 O X 1 17.056 14.435 12.590 0.00 0.00 O ATOM 79 C X 1 12.899 15.642 4.461 0.00 0.00 C ATOM 80 C X 1 13.309 15.644 5.894 0.00 0.00 C ATOM 81 N X 1 14.643 15.658 6.291 0.00 0.00 N ATOM 82 C X 1 14.723 15.651 7.631 0.00 0.00 C ATOM 83 H X 1 15.623 15.629 8.220 0.00 0.00 H ATOM 84 N X 1 13.492 15.644 8.111 0.00 0.00 N ATOM 85 H X 1 13.277 15.616 9.164 0.00 0.00 H ATOM 86 C X 1 12.596 15.632 7.056 0.00 0.00 C ATOM 87 H X 1 11.536 15.588 7.222 0.00 0.00 H ATOM 88 C X 1 9.369 17.619 8.771 0.00 0.00 C ATOM 89 C X 1 10.426 16.905 9.567 0.00 0.00 C ATOM 90 O X 1 10.335 15.644 9.694 0.00 0.00 O ATOM 91 O X 1 11.367 17.600 10.067 0.00 0.00 O ATOM 92 C X 1 7.810 13.083 12.745 0.00 0.00 C ATOM 93 C X 1 7.497 11.922 13.690 0.00 0.00 C ATOM 94 H X 1 7.906 12.105 14.682 0.00 0.00 H ATOM 95 H X 1 6.421 11.783 13.788 0.00 0.00 H ATOM 96 H X 1 7.910 10.984 13.312 0.00 0.00 H ATOM 97 C X 1 9.283 13.432 12.680 0.00 0.00 C ATOM 98 O X 1 9.969 13.504 13.719 0.00 0.00 O ATOM 99 O X 1 9.724 13.666 11.483 0.00 0.00 O ATOM 100 C X 1 11.644 10.659 8.155 0.00 0.00 C ATOM 101 C X 1 12.783 11.683 8.109 0.00 0.00 C ATOM 102 C X 1 12.761 12.658 9.266 0.00 0.00 C ATOM 103 O X 1 11.660 13.240 9.527 0.00 0.00 O ATOM 104 O X 1 13.848 12.880 9.886 0.00 0.00 O ATOM 105 C X 1 11.015 5.686 12.145 0.00 0.00 C ATOM 106 C X 1 10.033 6.862 12.117 0.00 0.00 C ATOM 107 C X 1 10.386 8.031 13.039 0.00 0.00 C ATOM 108 H X 1 9.544 8.726 13.059 0.00 0.00 H ATOM 109 H X 1 10.556 7.679 14.059 0.00 0.00 H ATOM 110 N X 1 11.581 8.742 12.561 0.00 0.00 N ATOM 111 H X 1 12.125 8.298 11.838 0.00 0.00 H ATOM 112 C X 1 12.094 9.872 13.082 0.00 0.00 C ATOM 113 N X 1 11.402 10.590 13.969 0.00 0.00 N ATOM 114 H X 1 10.397 10.534 14.002 0.00 0.00 H ATOM 115 H X 1 11.824 11.424 14.383 0.00 0.00 H ATOM 116 N X 1 13.307 10.267 12.713 0.00 0.00 N ATOM 117 H X 1 13.984 9.633 12.311 0.00 0.00 H ATOM 118 H X 1 13.649 11.214 12.873 0.00 0.00 H ATOM 119 O X 1 11.139 15.865 12.263 0.00 0.00 O ATOM 120 Ca X 1 12.116 14.788 14.241 0.00 0.00 CA ATOM 121 Mn X 1 12.433 17.060 11.719 0.00 0.00 MN ATOM 122 O X 1 12.381 13.480 12.138 0.00 0.00 O ATOM 123 Mn X 1 11.371 14.525 11.031 0.00 0.00 MN ATOM 124 O X 1 13.035 15.464 10.720 0.00 0.00 O ATOM 125 Mn X 1 14.095 13.920 11.624 0.00 0.00 MN ATOM 126 O X 1 15.058 12.536 12.376 0.00 0.00 O ATOM 127 Mn X 1 15.850 13.487 13.746 0.00 0.00 MN ATOM 128 O X 1 13.390 16.803 13.150 0.00 0.00 O ATOM 129 O X 1 13.766 15.946 15.701 0.00 0.00 O ATOM 130 O X 1 14.429 14.655 13.226 0.00 0.00 O ATOM 131 O X 1 16.343 14.864 15.148 0.00 0.00 O ATOM 132 O X 1 17.288 12.366 14.014 0.00 0.00 O ATOM 133 H X 1 15.510 15.336 15.373 0.00 0.00 H ATOM 134 H X 1 13.517 16.460 16.526 0.00 0.00 H ATOM 135 H X 1 13.790 16.628 15.004 0.00 0.00 H ATOM 136 H X 1 18.276 11.755 12.893 0.00 0.00 H ATOM 137 H X 1 17.091 15.565 15.025 0.00 0.00 H ATOM 138 H X 1 17.397 12.034 14.931 0.00 0.00 H ATOM 139 H X 1 15.441 15.649 5.670 0.00 0.00 H ATOM 140 Cl X 1 19.473 18.025 12.765 0.00 0.00 CL ATOM 141 O X 1 10.320 15.226 15.825 0.00 0.00 O ATOM 142 H X 1 9.724 14.511 15.549 0.00 0.00 H ATOM 143 H X 1 10.172 15.382 16.794 0.00 0.00 H ATOM 144 O X 1 7.621 16.365 14.959 0.00 0.00 O ATOM 145 H X 1 7.231 16.483 15.834 0.00 0.00 H ATOM 146 H X 1 8.577 16.343 15.122 0.00 0.00 H ATOM 147 O X 1 16.043 10.049 11.893 0.00 0.00 O ATOM 148 H X 1 17.015 10.176 11.912 0.00 0.00 H ATOM 149 H X 1 15.726 10.972 12.062 0.00 0.00 H ATOM 150 O X 1 13.032 17.495 17.687 0.00 0.00 O ATOM 151 H X 1 13.780 17.846 18.241 0.00 0.00 H ATOM 152 H X 1 12.639 18.233 17.203 0.00 0.00 H ATOM 153 O X 1 15.138 18.107 19.181 0.00 0.00 O ATOM 154 H X 1 15.645 18.926 19.159 0.00 0.00 H ATOM 155 H X 1 15.786 17.366 19.034 0.00 0.00 H ATOM 156 O X 1 19.340 13.052 18.284 0.00 0.00 O ATOM 157 H X 1 20.171 12.777 17.874 0.00 0.00 H ATOM 158 H X 1 18.659 12.651 17.717 0.00 0.00 H ATOM 159 O X 1 16.717 16.029 18.547 0.00 0.00 O ATOM 160 H X 1 16.604 15.924 17.594 0.00 0.00 H ATOM 161 H X 1 17.704 16.020 18.673 0.00 0.00 H ATOM 162 O X 1 15.865 10.775 9.097 0.00 0.00 O ATOM 163 H X 1 15.621 11.671 9.372 0.00 0.00 H ATOM 164 H X 1 15.885 10.288 9.941 0.00 0.00 H ATOM 165 O X 1 21.448 14.886 14.623 0.00 0.00 O ATOM 166 H X 1 21.246 15.688 15.127 0.00 0.00 H ATOM 167 H X 1 21.256 15.114 13.704 0.00 0.00 H ATOM 168 O X 1 18.042 16.734 15.078 0.00 0.00 O ATOM 169 H X 1 18.758 16.774 15.733 0.00 0.00 H ATOM 170 H X 1 18.461 17.076 14.240 0.00 0.00 H ATOM 171 O X 1 19.405 15.850 18.657 0.00 0.00 O ATOM 172 H X 1 19.512 14.897 18.462 0.00 0.00 H ATOM 173 H X 1 19.962 16.350 18.031 0.00 0.00 H ATOM 174 O X 1 7.183 20.311 9.705 0.00 0.00 O ATOM 175 H X 1 6.218 20.319 9.738 0.00 0.00 H ATOM 176 H X 1 7.445 21.239 9.733 0.00 0.00 H ATOM 177 H X 1 8.765 21.533 19.914 0.00 0.00 H ATOM 178 H X 1 7.271 21.409 20.833 0.00 0.00 H ATOM 179 H X 1 7.237 21.986 19.166 0.00 0.00 H ATOM 180 H X 1 11.949 12.480 23.106 0.00 0.00 H ATOM 181 H X 1 10.250 12.375 23.556 0.00 0.00 H ATOM 182 H X 1 11.203 13.772 24.029 0.00 0.00 H ATOM 183 H X 1 21.551 10.567 13.884 0.00 0.00 H ATOM 184 H X 1 19.924 10.408 14.520 0.00 0.00 H ATOM 185 H X 1 21.212 9.379 15.139 0.00 0.00 H ATOM 186 H X 1 20.272 11.200 9.346 0.00 0.00 H ATOM 187 H X 1 18.566 10.715 9.469 0.00 0.00 H ATOM 188 H X 1 19.798 9.772 10.302 0.00 0.00 H ATOM 189 H X 1 8.691 16.908 8.309 0.00 0.00 H ATOM 190 H X 1 9.825 18.257 8.014 0.00 0.00 H ATOM 191 H X 1 8.803 18.277 9.433 0.00 0.00 H ATOM 192 H X 1 13.246 16.538 3.943 0.00 0.00 H ATOM 193 H X 1 11.815 15.611 4.378 0.00 0.00 H ATOM 194 H X 1 13.298 14.776 3.929 0.00 0.00 H ATOM 195 H X 1 12.698 12.284 7.198 0.00 0.00 H ATOM 196 H X 1 13.756 11.195 8.096 0.00 0.00 H ATOM 197 H X 1 10.671 11.146 8.173 0.00 0.00 H ATOM 198 H X 1 11.724 10.034 9.045 0.00 0.00 H ATOM 199 H X 1 11.690 10.003 7.286 0.00 0.00 H ATOM 200 H X 1 9.045 6.508 12.417 0.00 0.00 H ATOM 201 H X 1 9.918 7.238 11.097 0.00 0.00 H ATOM 202 H X 1 11.106 5.266 13.147 0.00 0.00 H ATOM 203 H X 1 12.018 5.956 11.809 0.00 0.00 H ATOM 204 H X 1 10.668 4.889 11.486 0.00 0.00 H ATOM 205 H X 1 22.106 18.724 17.044 0.00 0.00 H ATOM 206 H X 1 9.178 19.041 15.541 0.00 0.00 H ATOM 207 H X 1 9.194 20.802 15.592 0.00 0.00 H ATOM 208 H X 1 10.563 19.882 16.221 0.00 0.00 H ATOM 209 H X 1 7.449 12.895 11.736 0.00 0.00 H ATOM 210 H X 1 7.318 13.995 13.098 0.00 0.00 H ATOM 211 H X 1 17.680 15.123 8.655 0.00 0.00 H ATOM 212 H X 1 18.875 16.370 8.992 0.00 0.00 H ATOM 213 H X 1 17.176 16.720 9.269 0.00 0.00 H ATOM 214 H X 1 15.141 11.700 19.022 0.00 0.00 H ATOM 215 H X 1 15.992 12.465 17.689 0.00 0.00 H ATOM 216 H X 1 16.759 7.062 17.600 0.00 0.00 H ATOM 217 H X 1 15.686 7.456 16.417 0.00 0.00 H ATOM 218 H X 1 17.615 20.446 10.190 0.00 0.00 H ATOM 219 H X 1 17.768 19.581 11.717 0.00 0.00 H ATOM 220 H X 1 17.012 21.178 11.678 0.00 0.00 H END ATOM 1 C X 1 20.979 10.395 14.793 0.00 0.00 C ATOM 2 C X 1 21.282 11.442 15.864 0.00 0.00 C ATOM 3 H X 1 22.332 11.431 16.156 0.00 0.00 H ATOM 4 H X 1 21.052 12.448 15.512 0.00 0.00 H ATOM 5 H X 1 20.687 11.237 16.755 0.00 0.00 H ATOM 6 C X 1 19.521 10.784 10.009 0.00 0.00 C ATOM 7 C X 1 19.394 11.651 11.235 0.00 0.00 C ATOM 8 O X 1 18.557 11.113 12.156 0.00 0.00 O ATOM 9 O X 1 19.950 12.709 11.383 0.00 0.00 O ATOM 10 C X 1 11.033 13.066 23.223 0.00 0.00 C ATOM 11 C X 1 10.655 13.781 21.948 0.00 0.00 C ATOM 12 C X 1 9.318 13.973 21.596 0.00 0.00 C ATOM 13 H X 1 8.537 13.584 22.239 0.00 0.00 H ATOM 14 C X 1 8.960 14.638 20.426 0.00 0.00 C ATOM 15 H X 1 7.919 14.762 20.160 0.00 0.00 H ATOM 16 C X 1 9.950 15.136 19.585 0.00 0.00 C ATOM 17 O X 1 9.633 15.757 18.386 0.00 0.00 O ATOM 18 H X 1 8.870 16.396 18.476 0.00 0.00 H ATOM 19 C X 1 11.290 14.980 19.925 0.00 0.00 C ATOM 20 H X 1 12.047 15.412 19.285 0.00 0.00 H ATOM 21 C X 1 11.629 14.300 21.091 0.00 0.00 C ATOM 22 H X 1 12.676 14.183 21.344 0.00 0.00 H ATOM 23 N X 1 16.300 7.837 17.120 0.00 0.00 N ATOM 24 C X 1 17.281 8.765 16.536 0.00 0.00 C ATOM 25 H X 1 18.264 8.584 16.976 0.00 0.00 H ATOM 26 C X 1 17.417 8.589 15.020 0.00 0.00 C ATOM 27 H X 1 18.016 9.401 14.613 0.00 0.00 H ATOM 28 H X 1 17.921 7.642 14.812 0.00 0.00 H ATOM 29 O X 1 16.105 8.569 14.439 0.00 0.00 O ATOM 30 H X 1 16.138 8.944 13.542 0.00 0.00 H ATOM 31 C X 1 16.955 10.233 16.870 0.00 0.00 C ATOM 32 O X 1 17.745 11.135 16.544 0.00 0.00 O ATOM 33 N X 1 15.798 10.427 17.513 0.00 0.00 N ATOM 34 H X 1 15.345 9.559 17.788 0.00 0.00 H ATOM 35 C X 1 15.268 11.718 17.938 0.00 0.00 C ATOM 36 C X 1 13.912 12.057 17.311 0.00 0.00 C ATOM 37 H X 1 13.212 11.224 17.407 0.00 0.00 H ATOM 38 H X 1 13.455 12.880 17.867 0.00 0.00 H ATOM 39 C X 1 13.904 12.499 15.855 0.00 0.00 C ATOM 40 O X 1 12.799 12.768 15.309 0.00 0.00 O ATOM 41 O X 1 15.035 12.589 15.281 0.00 0.00 O ATOM 42 C X 1 21.433 18.317 16.312 0.00 0.00 C ATOM 43 O X 1 20.641 17.416 16.621 0.00 0.00 O ATOM 44 N X 1 21.517 18.870 15.101 0.00 0.00 N ATOM 45 H X 1 20.889 18.587 14.332 0.00 0.00 H ATOM 46 H X 1 22.213 19.576 14.919 0.00 0.00 H ATOM 47 C X 1 9.818 19.929 15.432 0.00 0.00 C ATOM 48 C X 1 10.462 19.935 14.050 0.00 0.00 C ATOM 49 H X 1 9.715 19.961 13.256 0.00 0.00 H ATOM 50 H X 1 11.083 20.824 13.905 0.00 0.00 H ATOM 51 C X 1 11.355 18.734 13.790 0.00 0.00 C ATOM 52 O X 1 11.815 18.037 14.692 0.00 0.00 O ATOM 53 O X 1 11.569 18.544 12.506 0.00 0.00 O ATOM 54 C X 1 7.716 21.277 19.841 0.00 0.00 C ATOM 55 C X 1 7.549 19.877 19.362 0.00 0.00 C ATOM 56 N X 1 6.314 19.259 19.237 0.00 0.00 N ATOM 57 H X 1 5.420 19.680 19.437 0.00 0.00 H ATOM 58 C X 1 6.513 17.989 18.791 0.00 0.00 C ATOM 59 H X 1 5.710 17.295 18.611 0.00 0.00 H ATOM 60 N X 1 7.796 17.757 18.623 0.00 0.00 N ATOM 61 C X 1 8.449 18.924 18.975 0.00 0.00 C ATOM 62 H X 1 9.522 18.995 18.937 0.00 0.00 H ATOM 63 C X 1 17.117 20.229 11.133 0.00 0.00 C ATOM 64 C X 1 15.790 19.592 10.912 0.00 0.00 C ATOM 65 N X 1 14.812 20.136 10.083 0.00 0.00 N ATOM 66 H X 1 14.901 20.992 9.558 0.00 0.00 H ATOM 67 C X 1 13.704 19.363 10.134 0.00 0.00 C ATOM 68 H X 1 12.784 19.560 9.616 0.00 0.00 H ATOM 69 N X 1 13.918 18.343 10.947 0.00 0.00 N ATOM 70 C X 1 15.211 18.474 11.435 0.00 0.00 C ATOM 71 H X 1 15.617 17.774 12.141 0.00 0.00 H ATOM 72 C X 1 17.941 15.930 9.337 0.00 0.00 C ATOM 73 C X 1 18.097 15.418 10.759 0.00 0.00 C ATOM 74 H X 1 18.887 14.668 10.837 0.00 0.00 H ATOM 75 H X 1 18.426 16.221 11.432 0.00 0.00 H ATOM 76 C X 1 16.881 14.799 11.384 0.00 0.00 C ATOM 77 O X 1 15.770 14.695 10.765 0.00 0.00 O ATOM 78 O X 1 17.068 14.387 12.573 0.00 0.00 O ATOM 79 C X 1 12.914 15.638 4.442 0.00 0.00 C ATOM 80 C X 1 13.316 15.645 5.877 0.00 0.00 C ATOM 81 N X 1 14.649 15.675 6.280 0.00 0.00 N ATOM 82 C X 1 14.722 15.671 7.620 0.00 0.00 C ATOM 83 H X 1 15.619 15.665 8.214 0.00 0.00 H ATOM 84 N X 1 13.490 15.649 8.095 0.00 0.00 N ATOM 85 H X 1 13.271 15.618 9.145 0.00 0.00 H ATOM 86 C X 1 12.598 15.626 7.035 0.00 0.00 C ATOM 87 H X 1 11.538 15.572 7.196 0.00 0.00 H ATOM 88 C X 1 9.371 17.620 8.769 0.00 0.00 C ATOM 89 C X 1 10.425 16.905 9.568 0.00 0.00 C ATOM 90 O X 1 10.332 15.645 9.699 0.00 0.00 O ATOM 91 O X 1 11.365 17.601 10.068 0.00 0.00 O ATOM 92 C X 1 7.789 13.084 12.733 0.00 0.00 C ATOM 93 C X 1 7.496 11.918 13.680 0.00 0.00 C ATOM 94 H X 1 7.909 12.108 14.669 0.00 0.00 H ATOM 95 H X 1 6.422 11.769 13.787 0.00 0.00 H ATOM 96 H X 1 7.915 10.983 13.302 0.00 0.00 H ATOM 97 C X 1 9.257 13.458 12.674 0.00 0.00 C ATOM 98 O X 1 9.918 13.578 13.724 0.00 0.00 O ATOM 99 O X 1 9.719 13.663 11.480 0.00 0.00 O ATOM 100 C X 1 11.654 10.657 8.151 0.00 0.00 C ATOM 101 C X 1 12.781 11.695 8.099 0.00 0.00 C ATOM 102 C X 1 12.760 12.660 9.264 0.00 0.00 C ATOM 103 O X 1 11.659 13.240 9.530 0.00 0.00 O ATOM 104 O X 1 13.847 12.878 9.888 0.00 0.00 O ATOM 105 C X 1 11.022 5.685 12.148 0.00 0.00 C ATOM 106 C X 1 10.045 6.864 12.106 0.00 0.00 C ATOM 107 C X 1 10.393 8.037 13.025 0.00 0.00 C ATOM 108 H X 1 9.551 8.731 13.039 0.00 0.00 H ATOM 109 H X 1 10.561 7.689 14.047 0.00 0.00 H ATOM 110 N X 1 11.590 8.748 12.550 0.00 0.00 N ATOM 111 H X 1 12.127 8.314 11.816 0.00 0.00 H ATOM 112 C X 1 12.101 9.876 13.076 0.00 0.00 C ATOM 113 N X 1 11.411 10.585 13.972 0.00 0.00 N ATOM 114 H X 1 10.408 10.516 14.021 0.00 0.00 H ATOM 115 H X 1 11.836 11.412 14.399 0.00 0.00 H ATOM 116 N X 1 13.310 10.279 12.706 0.00 0.00 N ATOM 117 H X 1 13.991 9.650 12.301 0.00 0.00 H ATOM 118 H X 1 13.653 11.224 12.883 0.00 0.00 H ATOM 119 O X 1 11.156 15.864 12.272 0.00 0.00 O ATOM 120 Ca X 1 12.087 14.780 14.251 0.00 0.00 CA ATOM 121 Mn X 1 12.443 17.058 11.711 0.00 0.00 MN ATOM 122 O X 1 12.380 13.480 12.145 0.00 0.00 O ATOM 123 Mn X 1 11.371 14.525 11.032 0.00 0.00 MN ATOM 124 O X 1 13.034 15.455 10.710 0.00 0.00 O ATOM 125 Mn X 1 14.093 13.921 11.625 0.00 0.00 MN ATOM 126 O X 1 15.040 12.535 12.396 0.00 0.00 O ATOM 127 Mn X 1 15.849 13.487 13.748 0.00 0.00 MN ATOM 128 O X 1 13.461 16.807 13.099 0.00 0.00 O ATOM 129 O X 1 13.750 15.950 15.677 0.00 0.00 O ATOM 130 O X 1 14.439 14.675 13.212 0.00 0.00 O ATOM 131 O X 1 16.306 14.890 15.151 0.00 0.00 O ATOM 132 O X 1 17.291 12.369 14.037 0.00 0.00 O ATOM 133 H X 1 15.463 15.363 15.347 0.00 0.00 H ATOM 134 H X 1 13.509 16.431 16.524 0.00 0.00 H ATOM 135 H X 1 13.740 16.649 14.997 0.00 0.00 H ATOM 136 H X 1 18.293 11.744 12.906 0.00 0.00 H ATOM 137 H X 1 17.052 15.585 15.051 0.00 0.00 H ATOM 138 H X 1 17.401 12.052 14.958 0.00 0.00 H ATOM 139 H X 1 15.449 15.682 5.663 0.00 0.00 H ATOM 140 Cl X 1 19.486 17.988 12.755 0.00 0.00 CL ATOM 141 O X 1 10.334 15.234 15.840 0.00 0.00 O ATOM 142 H X 1 9.636 14.620 15.563 0.00 0.00 H ATOM 143 H X 1 10.203 15.409 16.806 0.00 0.00 H ATOM 144 O X 1 7.537 16.361 15.074 0.00 0.00 O ATOM 145 H X 1 7.306 16.499 16.001 0.00 0.00 H ATOM 146 H X 1 8.503 16.423 15.060 0.00 0.00 H ATOM 147 O X 1 16.040 10.060 11.879 0.00 0.00 O ATOM 148 H X 1 17.010 10.195 11.898 0.00 0.00 H ATOM 149 H X 1 15.716 10.977 12.061 0.00 0.00 H ATOM 150 O X 1 13.037 17.407 17.753 0.00 0.00 O ATOM 151 H X 1 13.804 17.762 18.282 0.00 0.00 H ATOM 152 H X 1 12.600 18.151 17.320 0.00 0.00 H ATOM 153 O X 1 15.158 18.012 19.183 0.00 0.00 O ATOM 154 H X 1 15.671 18.826 19.141 0.00 0.00 H ATOM 155 H X 1 15.789 17.265 18.991 0.00 0.00 H ATOM 156 O X 1 19.351 13.050 18.290 0.00 0.00 O ATOM 157 H X 1 20.191 12.758 17.915 0.00 0.00 H ATOM 158 H X 1 18.684 12.611 17.734 0.00 0.00 H ATOM 159 O X 1 16.700 15.942 18.461 0.00 0.00 O ATOM 160 H X 1 16.597 15.830 17.507 0.00 0.00 H ATOM 161 H X 1 17.689 15.956 18.595 0.00 0.00 H ATOM 162 O X 1 15.872 10.854 9.023 0.00 0.00 O ATOM 163 H X 1 15.604 11.734 9.328 0.00 0.00 H ATOM 164 H X 1 15.886 10.335 9.846 0.00 0.00 H ATOM 165 O X 1 21.448 14.801 14.439 0.00 0.00 O ATOM 166 H X 1 21.225 15.672 14.794 0.00 0.00 H ATOM 167 H X 1 21.214 14.851 13.503 0.00 0.00 H ATOM 168 O X 1 18.029 16.793 15.135 0.00 0.00 O ATOM 169 H X 1 18.755 16.850 15.780 0.00 0.00 H ATOM 170 H X 1 18.444 17.113 14.289 0.00 0.00 H ATOM 171 O X 1 19.347 15.846 18.654 0.00 0.00 O ATOM 172 H X 1 19.493 14.897 18.461 0.00 0.00 H ATOM 173 H X 1 19.914 16.372 18.061 0.00 0.00 H ATOM 174 O X 1 7.189 20.315 9.711 0.00 0.00 O ATOM 175 H X 1 6.229 20.399 9.759 0.00 0.00 H ATOM 176 H X 1 7.526 21.218 9.757 0.00 0.00 H ATOM 177 H X 1 8.773 21.535 19.866 0.00 0.00 H ATOM 178 H X 1 7.320 21.410 20.850 0.00 0.00 H ATOM 179 H X 1 7.215 21.996 19.188 0.00 0.00 H ATOM 180 H X 1 11.949 12.486 23.103 0.00 0.00 H ATOM 181 H X 1 10.248 12.382 23.547 0.00 0.00 H ATOM 182 H X 1 11.205 13.770 24.041 0.00 0.00 H ATOM 183 H X 1 21.573 10.556 13.893 0.00 0.00 H ATOM 184 H X 1 19.932 10.434 14.500 0.00 0.00 H ATOM 185 H X 1 21.185 9.383 15.149 0.00 0.00 H ATOM 186 H X 1 20.278 11.205 9.356 0.00 0.00 H ATOM 187 H X 1 18.565 10.745 9.481 0.00 0.00 H ATOM 188 H X 1 19.790 9.765 10.282 0.00 0.00 H ATOM 189 H X 1 8.698 16.912 8.296 0.00 0.00 H ATOM 190 H X 1 9.830 18.267 8.021 0.00 0.00 H ATOM 191 H X 1 8.796 18.271 9.432 0.00 0.00 H ATOM 192 H X 1 13.252 16.538 3.925 0.00 0.00 H ATOM 193 H X 1 11.831 15.593 4.354 0.00 0.00 H ATOM 194 H X 1 13.326 14.777 3.912 0.00 0.00 H ATOM 195 H X 1 12.677 12.301 7.194 0.00 0.00 H ATOM 196 H X 1 13.758 11.218 8.070 0.00 0.00 H ATOM 197 H X 1 10.676 11.130 8.179 0.00 0.00 H ATOM 198 H X 1 11.750 10.026 9.036 0.00 0.00 H ATOM 199 H X 1 11.702 10.006 7.278 0.00 0.00 H ATOM 200 H X 1 9.053 6.515 12.400 0.00 0.00 H ATOM 201 H X 1 9.939 7.236 11.084 0.00 0.00 H ATOM 202 H X 1 11.102 5.269 13.153 0.00 0.00 H ATOM 203 H X 1 12.029 5.951 11.821 0.00 0.00 H ATOM 204 H X 1 10.679 4.887 11.489 0.00 0.00 H ATOM 205 H X 1 22.140 18.727 17.047 0.00 0.00 H ATOM 206 H X 1 9.196 19.047 15.568 0.00 0.00 H ATOM 207 H X 1 9.188 20.808 15.569 0.00 0.00 H ATOM 208 H X 1 10.572 19.924 16.217 0.00 0.00 H ATOM 209 H X 1 7.427 12.890 11.725 0.00 0.00 H ATOM 210 H X 1 7.282 13.985 13.091 0.00 0.00 H ATOM 211 H X 1 17.679 15.125 8.648 0.00 0.00 H ATOM 212 H X 1 18.883 16.360 8.997 0.00 0.00 H ATOM 213 H X 1 17.188 16.718 9.282 0.00 0.00 H ATOM 214 H X 1 15.155 11.709 19.023 0.00 0.00 H ATOM 215 H X 1 16.007 12.476 17.693 0.00 0.00 H ATOM 216 H X 1 16.748 7.059 17.587 0.00 0.00 H ATOM 217 H X 1 15.689 7.472 16.397 0.00 0.00 H ATOM 218 H X 1 17.618 20.461 10.191 0.00 0.00 H ATOM 219 H X 1 17.773 19.565 11.701 0.00 0.00 H ATOM 220 H X 1 17.017 21.160 11.695 0.00 0.00 H END ATOM 1 C X 1 20.965 10.392 14.804 0.00 0.00 C ATOM 2 C X 1 21.266 11.440 15.875 0.00 0.00 C ATOM 3 H X 1 22.311 11.413 16.185 0.00 0.00 H ATOM 4 H X 1 21.055 12.448 15.518 0.00 0.00 H ATOM 5 H X 1 20.652 11.247 16.756 0.00 0.00 H ATOM 6 C X 1 19.513 10.777 10.010 0.00 0.00 C ATOM 7 C X 1 19.387 11.645 11.235 0.00 0.00 C ATOM 8 O X 1 18.547 11.114 12.157 0.00 0.00 O ATOM 9 O X 1 19.947 12.701 11.383 0.00 0.00 O ATOM 10 C X 1 11.009 13.066 23.228 0.00 0.00 C ATOM 11 C X 1 10.641 13.797 21.959 0.00 0.00 C ATOM 12 C X 1 9.308 13.988 21.592 0.00 0.00 C ATOM 13 H X 1 8.520 13.583 22.216 0.00 0.00 H ATOM 14 C X 1 8.964 14.675 20.430 0.00 0.00 C ATOM 15 H X 1 7.926 14.798 20.150 0.00 0.00 H ATOM 16 C X 1 9.967 15.194 19.618 0.00 0.00 C ATOM 17 O X 1 9.683 15.849 18.431 0.00 0.00 O ATOM 18 H X 1 8.863 16.406 18.485 0.00 0.00 H ATOM 19 C X 1 11.302 15.031 19.969 0.00 0.00 C ATOM 20 H X 1 12.063 15.474 19.340 0.00 0.00 H ATOM 21 C X 1 11.627 14.331 21.125 0.00 0.00 C ATOM 22 H X 1 12.670 14.210 21.389 0.00 0.00 H ATOM 23 N X 1 16.282 7.835 17.113 0.00 0.00 N ATOM 24 C X 1 17.271 8.760 16.539 0.00 0.00 C ATOM 25 H X 1 18.251 8.572 16.983 0.00 0.00 H ATOM 26 C X 1 17.414 8.590 15.023 0.00 0.00 C ATOM 27 H X 1 18.010 9.407 14.621 0.00 0.00 H ATOM 28 H X 1 17.923 7.646 14.811 0.00 0.00 H ATOM 29 O X 1 16.103 8.570 14.440 0.00 0.00 O ATOM 30 H X 1 16.136 8.939 13.541 0.00 0.00 H ATOM 31 C X 1 16.953 10.228 16.877 0.00 0.00 C ATOM 32 O X 1 17.742 11.129 16.547 0.00 0.00 O ATOM 33 N X 1 15.803 10.423 17.532 0.00 0.00 N ATOM 34 H X 1 15.341 9.556 17.796 0.00 0.00 H ATOM 35 C X 1 15.273 11.715 17.948 0.00 0.00 C ATOM 36 C X 1 13.926 12.047 17.302 0.00 0.00 C ATOM 37 H X 1 13.221 11.218 17.397 0.00 0.00 H ATOM 38 H X 1 13.464 12.879 17.840 0.00 0.00 H ATOM 39 C X 1 13.941 12.473 15.843 0.00 0.00 C ATOM 40 O X 1 12.837 12.700 15.274 0.00 0.00 O ATOM 41 O X 1 15.079 12.605 15.292 0.00 0.00 O ATOM 42 C X 1 21.428 18.293 16.309 0.00 0.00 C ATOM 43 O X 1 20.614 17.418 16.626 0.00 0.00 O ATOM 44 N X 1 21.529 18.832 15.090 0.00 0.00 N ATOM 45 H X 1 20.895 18.557 14.325 0.00 0.00 H ATOM 46 H X 1 22.242 19.518 14.902 0.00 0.00 H ATOM 47 C X 1 9.819 19.934 15.406 0.00 0.00 C ATOM 48 C X 1 10.459 19.921 14.023 0.00 0.00 C ATOM 49 H X 1 9.711 19.921 13.229 0.00 0.00 H ATOM 50 H X 1 11.065 20.817 13.859 0.00 0.00 H ATOM 51 C X 1 11.371 18.728 13.785 0.00 0.00 C ATOM 52 O X 1 11.806 18.032 14.697 0.00 0.00 O ATOM 53 O X 1 11.625 18.549 12.506 0.00 0.00 O ATOM 54 C X 1 7.710 21.270 19.818 0.00 0.00 C ATOM 55 C X 1 7.525 19.875 19.326 0.00 0.00 C ATOM 56 N X 1 6.284 19.265 19.239 0.00 0.00 N ATOM 57 H X 1 5.400 19.684 19.485 0.00 0.00 H ATOM 58 C X 1 6.459 18.003 18.764 0.00 0.00 C ATOM 59 H X 1 5.646 17.315 18.607 0.00 0.00 H ATOM 60 N X 1 7.733 17.768 18.536 0.00 0.00 N ATOM 61 C X 1 8.404 18.927 18.885 0.00 0.00 C ATOM 62 H X 1 9.475 18.996 18.810 0.00 0.00 H ATOM 63 C X 1 17.116 20.217 11.139 0.00 0.00 C ATOM 64 C X 1 15.788 19.585 10.913 0.00 0.00 C ATOM 65 N X 1 14.800 20.150 10.110 0.00 0.00 N ATOM 66 H X 1 14.883 21.018 9.604 0.00 0.00 H ATOM 67 C X 1 13.697 19.371 10.147 0.00 0.00 C ATOM 68 H X 1 12.770 19.579 9.644 0.00 0.00 H ATOM 69 N X 1 13.924 18.329 10.926 0.00 0.00 N ATOM 70 C X 1 15.219 18.451 11.408 0.00 0.00 C ATOM 71 H X 1 15.629 17.734 12.094 0.00 0.00 H ATOM 72 C X 1 17.946 15.928 9.324 0.00 0.00 C ATOM 73 C X 1 18.102 15.414 10.745 0.00 0.00 C ATOM 74 H X 1 18.878 14.648 10.820 0.00 0.00 H ATOM 75 H X 1 18.447 16.208 11.418 0.00 0.00 H ATOM 76 C X 1 16.883 14.819 11.379 0.00 0.00 C ATOM 77 O X 1 15.774 14.709 10.761 0.00 0.00 O ATOM 78 O X 1 17.071 14.439 12.579 0.00 0.00 O ATOM 79 C X 1 12.934 15.628 4.420 0.00 0.00 C ATOM 80 C X 1 13.328 15.639 5.857 0.00 0.00 C ATOM 81 N X 1 14.658 15.681 6.270 0.00 0.00 N ATOM 82 C X 1 14.720 15.681 7.611 0.00 0.00 C ATOM 83 H X 1 15.613 15.687 8.212 0.00 0.00 H ATOM 84 N X 1 13.484 15.649 8.075 0.00 0.00 N ATOM 85 H X 1 13.261 15.618 9.122 0.00 0.00 H ATOM 86 C X 1 12.601 15.616 7.010 0.00 0.00 C ATOM 87 H X 1 11.540 15.554 7.163 0.00 0.00 H ATOM 88 C X 1 9.365 17.621 8.758 0.00 0.00 C ATOM 89 C X 1 10.416 16.905 9.566 0.00 0.00 C ATOM 90 O X 1 10.320 15.644 9.700 0.00 0.00 O ATOM 91 O X 1 11.354 17.600 10.069 0.00 0.00 O ATOM 92 C X 1 7.780 13.078 12.732 0.00 0.00 C ATOM 93 C X 1 7.486 11.908 13.673 0.00 0.00 C ATOM 94 H X 1 7.898 12.093 14.663 0.00 0.00 H ATOM 95 H X 1 6.412 11.757 13.778 0.00 0.00 H ATOM 96 H X 1 7.907 10.975 13.289 0.00 0.00 H ATOM 97 C X 1 9.249 13.453 12.672 0.00 0.00 C ATOM 98 O X 1 9.908 13.572 13.722 0.00 0.00 O ATOM 99 O X 1 9.713 13.660 11.478 0.00 0.00 O ATOM 100 C X 1 11.664 10.656 8.149 0.00 0.00 C ATOM 101 C X 1 12.779 11.707 8.095 0.00 0.00 C ATOM 102 C X 1 12.757 12.678 9.256 0.00 0.00 C ATOM 103 O X 1 11.647 13.239 9.529 0.00 0.00 O ATOM 104 O X 1 13.847 12.922 9.864 0.00 0.00 O ATOM 105 C X 1 11.017 5.681 12.146 0.00 0.00 C ATOM 106 C X 1 10.047 6.865 12.092 0.00 0.00 C ATOM 107 C X 1 10.395 8.039 13.009 0.00 0.00 C ATOM 108 H X 1 9.556 8.738 13.013 0.00 0.00 H ATOM 109 H X 1 10.550 7.693 14.034 0.00 0.00 H ATOM 110 N X 1 11.600 8.744 12.547 0.00 0.00 N ATOM 111 H X 1 12.124 8.330 11.791 0.00 0.00 H ATOM 112 C X 1 12.100 9.877 13.072 0.00 0.00 C ATOM 113 N X 1 11.408 10.573 13.976 0.00 0.00 N ATOM 114 H X 1 10.407 10.491 14.037 0.00 0.00 H ATOM 115 H X 1 11.839 11.387 14.421 0.00 0.00 H ATOM 116 N X 1 13.301 10.302 12.693 0.00 0.00 N ATOM 117 H X 1 13.990 9.680 12.292 0.00 0.00 H ATOM 118 H X 1 13.631 11.247 12.883 0.00 0.00 H ATOM 119 O X 1 11.182 15.858 12.284 0.00 0.00 O ATOM 120 Ca X 1 12.071 14.709 14.260 0.00 0.00 CA ATOM 121 Mn X 1 12.480 17.050 11.705 0.00 0.00 MN ATOM 122 O X 1 12.392 13.482 12.130 0.00 0.00 O ATOM 123 Mn X 1 11.368 14.526 11.032 0.00 0.00 MN ATOM 124 O X 1 13.033 15.460 10.696 0.00 0.00 O ATOM 125 Mn X 1 14.103 13.957 11.617 0.00 0.00 MN ATOM 126 O X 1 15.068 12.575 12.397 0.00 0.00 O ATOM 127 Mn X 1 15.888 13.527 13.760 0.00 0.00 MN ATOM 128 O X 1 13.521 16.808 13.071 0.00 0.00 O ATOM 129 O X 1 13.669 15.942 15.669 0.00 0.00 O ATOM 130 O X 1 14.439 14.694 13.219 0.00 0.00 O ATOM 131 O X 1 16.283 14.948 15.151 0.00 0.00 O ATOM 132 O X 1 17.358 12.437 14.068 0.00 0.00 O ATOM 133 H X 1 15.426 15.408 15.310 0.00 0.00 H ATOM 134 H X 1 13.435 16.419 16.520 0.00 0.00 H ATOM 135 H X 1 13.636 16.649 14.997 0.00 0.00 H ATOM 136 H X 1 18.304 11.746 12.914 0.00 0.00 H ATOM 137 H X 1 17.031 15.652 15.061 0.00 0.00 H ATOM 138 H X 1 17.436 12.075 14.978 0.00 0.00 H ATOM 139 H X 1 15.463 15.700 5.660 0.00 0.00 H ATOM 140 Cl X 1 19.485 17.950 12.757 0.00 0.00 CL ATOM 141 O X 1 10.402 15.214 15.910 0.00 0.00 O ATOM 142 H X 1 9.571 14.816 15.614 0.00 0.00 H ATOM 143 H X 1 10.274 15.439 16.864 0.00 0.00 H ATOM 144 O X 1 7.445 16.267 15.321 0.00 0.00 O ATOM 145 H X 1 7.453 16.551 16.246 0.00 0.00 H ATOM 146 H X 1 8.301 16.552 14.978 0.00 0.00 H ATOM 147 O X 1 16.026 10.071 11.873 0.00 0.00 O ATOM 148 H X 1 16.996 10.207 11.890 0.00 0.00 H ATOM 149 H X 1 15.701 10.989 12.046 0.00 0.00 H ATOM 150 O X 1 13.022 17.400 17.759 0.00 0.00 O ATOM 151 H X 1 13.805 17.732 18.281 0.00 0.00 H ATOM 152 H X 1 12.570 18.160 17.373 0.00 0.00 H ATOM 153 O X 1 15.154 17.930 19.179 0.00 0.00 O ATOM 154 H X 1 15.682 18.734 19.135 0.00 0.00 H ATOM 155 H X 1 15.765 17.173 18.959 0.00 0.00 H ATOM 156 O X 1 19.414 13.041 18.370 0.00 0.00 O ATOM 157 H X 1 20.244 12.744 17.975 0.00 0.00 H ATOM 158 H X 1 18.731 12.623 17.820 0.00 0.00 H ATOM 159 O X 1 16.646 15.854 18.404 0.00 0.00 O ATOM 160 H X 1 16.552 15.742 17.449 0.00 0.00 H ATOM 161 H X 1 17.630 15.892 18.552 0.00 0.00 H ATOM 162 O X 1 15.857 10.849 9.018 0.00 0.00 O ATOM 163 H X 1 15.594 11.735 9.313 0.00 0.00 H ATOM 164 H X 1 15.873 10.339 9.847 0.00 0.00 H ATOM 165 O X 1 21.433 14.790 14.331 0.00 0.00 O ATOM 166 H X 1 21.175 15.713 14.456 0.00 0.00 H ATOM 167 H X 1 21.167 14.586 13.425 0.00 0.00 H ATOM 168 O X 1 18.017 16.806 15.139 0.00 0.00 O ATOM 169 H X 1 18.737 16.860 15.792 0.00 0.00 H ATOM 170 H X 1 18.439 17.116 14.292 0.00 0.00 H ATOM 171 O X 1 19.322 15.843 18.646 0.00 0.00 O ATOM 172 H X 1 19.507 14.896 18.481 0.00 0.00 H ATOM 173 H X 1 19.895 16.371 18.060 0.00 0.00 H ATOM 174 O X 1 7.190 20.316 9.789 0.00 0.00 O ATOM 175 H X 1 6.237 20.471 9.790 0.00 0.00 H ATOM 176 H X 1 7.590 21.194 9.790 0.00 0.00 H ATOM 177 H X 1 8.766 21.531 19.808 0.00 0.00 H ATOM 178 H X 1 7.351 21.390 20.843 0.00 0.00 H ATOM 179 H X 1 7.184 21.998 19.196 0.00 0.00 H ATOM 180 H X 1 11.923 12.485 23.103 0.00 0.00 H ATOM 181 H X 1 10.219 12.382 23.541 0.00 0.00 H ATOM 182 H X 1 11.181 13.762 24.052 0.00 0.00 H ATOM 183 H X 1 21.577 10.538 13.914 0.00 0.00 H ATOM 184 H X 1 19.923 10.448 14.493 0.00 0.00 H ATOM 185 H X 1 21.147 9.380 15.169 0.00 0.00 H ATOM 186 H X 1 20.277 11.194 9.361 0.00 0.00 H ATOM 187 H X 1 18.560 10.746 9.476 0.00 0.00 H ATOM 188 H X 1 19.773 9.755 10.281 0.00 0.00 H ATOM 189 H X 1 8.697 16.917 8.272 0.00 0.00 H ATOM 190 H X 1 9.830 18.274 8.019 0.00 0.00 H ATOM 191 H X 1 8.779 18.266 9.417 0.00 0.00 H ATOM 192 H X 1 13.264 16.532 3.906 0.00 0.00 H ATOM 193 H X 1 11.851 15.572 4.329 0.00 0.00 H ATOM 194 H X 1 13.357 14.771 3.892 0.00 0.00 H ATOM 195 H X 1 12.664 12.310 7.189 0.00 0.00 H ATOM 196 H X 1 13.760 11.238 8.058 0.00 0.00 H ATOM 197 H X 1 10.679 11.117 8.183 0.00 0.00 H ATOM 198 H X 1 11.770 10.021 9.029 0.00 0.00 H ATOM 199 H X 1 11.714 10.011 7.272 0.00 0.00 H ATOM 200 H X 1 9.051 6.524 12.380 0.00 0.00 H ATOM 201 H X 1 9.949 7.233 11.067 0.00 0.00 H ATOM 202 H X 1 11.084 5.267 13.153 0.00 0.00 H ATOM 203 H X 1 12.028 5.941 11.829 0.00 0.00 H ATOM 204 H X 1 10.676 4.882 11.486 0.00 0.00 H ATOM 205 H X 1 22.142 18.697 17.040 0.00 0.00 H ATOM 206 H X 1 9.212 19.043 15.566 0.00 0.00 H ATOM 207 H X 1 9.173 20.804 15.526 0.00 0.00 H ATOM 208 H X 1 10.574 19.956 16.189 0.00 0.00 H ATOM 209 H X 1 7.414 12.891 11.724 0.00 0.00 H ATOM 210 H X 1 7.271 13.975 13.097 0.00 0.00 H ATOM 211 H X 1 17.676 15.127 8.633 0.00 0.00 H ATOM 212 H X 1 18.890 16.352 8.985 0.00 0.00 H ATOM 213 H X 1 17.198 16.721 9.274 0.00 0.00 H ATOM 214 H X 1 15.149 11.713 19.033 0.00 0.00 H ATOM 215 H X 1 16.012 12.472 17.703 0.00 0.00 H ATOM 216 H X 1 16.721 7.052 17.580 0.00 0.00 H ATOM 217 H X 1 15.673 7.478 16.384 0.00 0.00 H ATOM 218 H X 1 17.612 20.465 10.199 0.00 0.00 H ATOM 219 H X 1 17.773 19.545 11.694 0.00 0.00 H ATOM 220 H X 1 17.017 21.139 11.717 0.00 0.00 H END ATOM 1 C X 1 20.966 10.399 14.813 0.00 0.00 C ATOM 2 C X 1 21.267 11.447 15.884 0.00 0.00 C ATOM 3 H X 1 22.307 11.407 16.208 0.00 0.00 H ATOM 4 H X 1 21.073 12.457 15.523 0.00 0.00 H ATOM 5 H X 1 20.638 11.266 16.756 0.00 0.00 H ATOM 6 C X 1 19.529 10.791 10.011 0.00 0.00 C ATOM 7 C X 1 19.426 11.651 11.246 0.00 0.00 C ATOM 8 O X 1 18.567 11.128 12.155 0.00 0.00 O ATOM 9 O X 1 20.017 12.686 11.410 0.00 0.00 O ATOM 10 C X 1 11.005 13.079 23.229 0.00 0.00 C ATOM 11 C X 1 10.640 13.823 21.967 0.00 0.00 C ATOM 12 C X 1 9.309 14.008 21.592 0.00 0.00 C ATOM 13 H X 1 8.519 13.594 22.208 0.00 0.00 H ATOM 14 C X 1 8.968 14.701 20.433 0.00 0.00 C ATOM 15 H X 1 7.931 14.818 20.146 0.00 0.00 H ATOM 16 C X 1 9.973 15.229 19.631 0.00 0.00 C ATOM 17 O X 1 9.696 15.884 18.443 0.00 0.00 O ATOM 18 H X 1 8.852 16.396 18.476 0.00 0.00 H ATOM 19 C X 1 11.307 15.078 19.991 0.00 0.00 C ATOM 20 H X 1 12.068 15.534 19.372 0.00 0.00 H ATOM 21 C X 1 11.628 14.373 21.145 0.00 0.00 C ATOM 22 H X 1 12.671 14.259 21.416 0.00 0.00 H ATOM 23 N X 1 16.276 7.836 17.105 0.00 0.00 N ATOM 24 C X 1 17.270 8.767 16.551 0.00 0.00 C ATOM 25 H X 1 18.248 8.569 16.994 0.00 0.00 H ATOM 26 C X 1 17.420 8.613 15.032 0.00 0.00 C ATOM 27 H X 1 18.008 9.436 14.635 0.00 0.00 H ATOM 28 H X 1 17.940 7.675 14.819 0.00 0.00 H ATOM 29 O X 1 16.111 8.576 14.440 0.00 0.00 O ATOM 30 H X 1 16.153 8.935 13.538 0.00 0.00 H ATOM 31 C X 1 16.956 10.230 16.918 0.00 0.00 C ATOM 32 O X 1 17.755 11.133 16.618 0.00 0.00 O ATOM 33 N X 1 15.799 10.421 17.564 0.00 0.00 N ATOM 34 H X 1 15.324 9.556 17.807 0.00 0.00 H ATOM 35 C X 1 15.265 11.718 17.966 0.00 0.00 C ATOM 36 C X 1 13.925 12.044 17.301 0.00 0.00 C ATOM 37 H X 1 13.216 11.220 17.401 0.00 0.00 H ATOM 38 H X 1 13.462 12.886 17.824 0.00 0.00 H ATOM 39 C X 1 13.963 12.452 15.838 0.00 0.00 C ATOM 40 O X 1 12.878 12.686 15.240 0.00 0.00 O ATOM 41 O X 1 15.114 12.562 15.307 0.00 0.00 O ATOM 42 C X 1 21.415 18.313 16.312 0.00 0.00 C ATOM 43 O X 1 20.541 17.506 16.644 0.00 0.00 O ATOM 44 N X 1 21.561 18.818 15.082 0.00 0.00 N ATOM 45 H X 1 20.922 18.554 14.319 0.00 0.00 H ATOM 46 H X 1 22.312 19.460 14.885 0.00 0.00 H ATOM 47 C X 1 9.835 19.942 15.394 0.00 0.00 C ATOM 48 C X 1 10.469 19.911 14.008 0.00 0.00 C ATOM 49 H X 1 9.718 19.899 13.218 0.00 0.00 H ATOM 50 H X 1 11.072 20.806 13.830 0.00 0.00 H ATOM 51 C X 1 11.382 18.717 13.781 0.00 0.00 C ATOM 52 O X 1 11.810 18.029 14.701 0.00 0.00 O ATOM 53 O X 1 11.641 18.531 12.505 0.00 0.00 O ATOM 54 C X 1 7.722 21.276 19.803 0.00 0.00 C ATOM 55 C X 1 7.516 19.890 19.296 0.00 0.00 C ATOM 56 N X 1 6.269 19.287 19.242 0.00 0.00 N ATOM 57 H X 1 5.398 19.705 19.532 0.00 0.00 H ATOM 58 C X 1 6.419 18.031 18.743 0.00 0.00 C ATOM 59 H X 1 5.598 17.347 18.611 0.00 0.00 H ATOM 60 N X 1 7.683 17.792 18.465 0.00 0.00 N ATOM 61 C X 1 8.374 18.943 18.811 0.00 0.00 C ATOM 62 H X 1 9.443 19.004 18.707 0.00 0.00 H ATOM 63 C X 1 17.125 20.217 11.146 0.00 0.00 C ATOM 64 C X 1 15.795 19.588 10.915 0.00 0.00 C ATOM 65 N X 1 14.799 20.169 10.135 0.00 0.00 N ATOM 66 H X 1 14.877 21.049 9.647 0.00 0.00 H ATOM 67 C X 1 13.697 19.386 10.162 0.00 0.00 C ATOM 68 H X 1 12.768 19.606 9.670 0.00 0.00 H ATOM 69 N X 1 13.931 18.325 10.914 0.00 0.00 N ATOM 70 C X 1 15.231 18.440 11.387 0.00 0.00 C ATOM 71 H X 1 15.651 17.710 12.052 0.00 0.00 H ATOM 72 C X 1 17.954 15.925 9.337 0.00 0.00 C ATOM 73 C X 1 18.104 15.396 10.754 0.00 0.00 C ATOM 74 H X 1 18.883 14.632 10.823 0.00 0.00 H ATOM 75 H X 1 18.450 16.186 11.433 0.00 0.00 H ATOM 76 C X 1 16.882 14.799 11.386 0.00 0.00 C ATOM 77 O X 1 15.766 14.717 10.775 0.00 0.00 O ATOM 78 O X 1 17.074 14.394 12.578 0.00 0.00 O ATOM 79 C X 1 12.962 15.639 4.404 0.00 0.00 C ATOM 80 C X 1 13.351 15.662 5.843 0.00 0.00 C ATOM 81 N X 1 14.677 15.726 6.264 0.00 0.00 N ATOM 82 C X 1 14.731 15.718 7.606 0.00 0.00 C ATOM 83 H X 1 15.620 15.731 8.212 0.00 0.00 H ATOM 84 N X 1 13.492 15.661 8.061 0.00 0.00 N ATOM 85 H X 1 13.256 15.616 9.104 0.00 0.00 H ATOM 86 C X 1 12.617 15.620 6.990 0.00 0.00 C ATOM 87 H X 1 11.556 15.542 7.137 0.00 0.00 H ATOM 88 C X 1 9.351 17.648 8.744 0.00 0.00 C ATOM 89 C X 1 10.379 16.916 9.571 0.00 0.00 C ATOM 90 O X 1 10.253 15.658 9.715 0.00 0.00 O ATOM 91 O X 1 11.323 17.596 10.080 0.00 0.00 O ATOM 92 C X 1 7.755 13.074 12.733 0.00 0.00 C ATOM 93 C X 1 7.471 11.901 13.671 0.00 0.00 C ATOM 94 H X 1 7.892 12.091 14.657 0.00 0.00 H ATOM 95 H X 1 6.399 11.739 13.782 0.00 0.00 H ATOM 96 H X 1 7.902 10.977 13.280 0.00 0.00 H ATOM 97 C X 1 9.227 13.431 12.666 0.00 0.00 C ATOM 98 O X 1 9.907 13.499 13.703 0.00 0.00 O ATOM 99 O X 1 9.670 13.676 11.468 0.00 0.00 O ATOM 100 C X 1 11.678 10.661 8.139 0.00 0.00 C ATOM 101 C X 1 12.780 11.725 8.070 0.00 0.00 C ATOM 102 C X 1 12.753 12.697 9.233 0.00 0.00 C ATOM 103 O X 1 11.656 13.302 9.467 0.00 0.00 O ATOM 104 O X 1 13.831 12.889 9.883 0.00 0.00 O ATOM 105 C X 1 11.024 5.687 12.146 0.00 0.00 C ATOM 106 C X 1 10.060 6.875 12.081 0.00 0.00 C ATOM 107 C X 1 10.408 8.051 12.995 0.00 0.00 C ATOM 108 H X 1 9.571 8.753 12.992 0.00 0.00 H ATOM 109 H X 1 10.556 7.708 14.022 0.00 0.00 H ATOM 110 N X 1 11.618 8.750 12.538 0.00 0.00 N ATOM 111 H X 1 12.130 8.350 11.766 0.00 0.00 H ATOM 112 C X 1 12.116 9.880 13.071 0.00 0.00 C ATOM 113 N X 1 11.426 10.561 13.987 0.00 0.00 N ATOM 114 H X 1 10.425 10.481 14.048 0.00 0.00 H ATOM 115 H X 1 11.855 11.377 14.431 0.00 0.00 H ATOM 116 N X 1 13.312 10.316 12.690 0.00 0.00 N ATOM 117 H X 1 14.004 9.709 12.271 0.00 0.00 H ATOM 118 H X 1 13.635 11.263 12.886 0.00 0.00 H ATOM 119 O X 1 11.178 15.843 12.300 0.00 0.00 O ATOM 120 Ca X 1 12.036 14.683 14.270 0.00 0.00 CA ATOM 121 Mn X 1 12.484 17.026 11.701 0.00 0.00 MN ATOM 122 O X 1 12.363 13.468 12.101 0.00 0.00 O ATOM 123 Mn X 1 11.322 14.528 11.027 0.00 0.00 MN ATOM 124 O X 1 13.006 15.448 10.682 0.00 0.00 O ATOM 125 Mn X 1 14.082 13.959 11.620 0.00 0.00 MN ATOM 126 O X 1 15.052 12.588 12.421 0.00 0.00 O ATOM 127 Mn X 1 15.895 13.503 13.786 0.00 0.00 MN ATOM 128 O X 1 13.559 16.773 13.038 0.00 0.00 O ATOM 129 O X 1 13.650 15.956 15.679 0.00 0.00 O ATOM 130 O X 1 14.401 14.692 13.230 0.00 0.00 O ATOM 131 O X 1 16.278 14.966 15.156 0.00 0.00 O ATOM 132 O X 1 17.369 12.395 14.077 0.00 0.00 O ATOM 133 H X 1 15.417 15.422 15.303 0.00 0.00 H ATOM 134 H X 1 13.427 16.409 16.544 0.00 0.00 H ATOM 135 H X 1 13.579 16.676 15.023 0.00 0.00 H ATOM 136 H X 1 18.319 11.747 12.923 0.00 0.00 H ATOM 137 H X 1 17.013 15.689 15.061 0.00 0.00 H ATOM 138 H X 1 17.489 12.052 14.991 0.00 0.00 H ATOM 139 H X 1 15.486 15.747 5.659 0.00 0.00 H ATOM 140 Cl X 1 19.509 17.912 12.759 0.00 0.00 CL ATOM 141 O X 1 10.403 15.131 15.927 0.00 0.00 O ATOM 142 H X 1 9.482 15.029 15.635 0.00 0.00 H ATOM 143 H X 1 10.328 15.413 16.866 0.00 0.00 H ATOM 144 O X 1 7.615 16.107 15.498 0.00 0.00 O ATOM 145 H X 1 7.600 16.601 16.334 0.00 0.00 H ATOM 146 H X 1 7.956 16.735 14.848 0.00 0.00 H ATOM 147 O X 1 16.028 10.143 11.807 0.00 0.00 O ATOM 148 H X 1 16.998 10.275 11.848 0.00 0.00 H ATOM 149 H X 1 15.699 11.058 11.998 0.00 0.00 H ATOM 150 O X 1 13.033 17.378 17.832 0.00 0.00 O ATOM 151 H X 1 13.838 17.702 18.327 0.00 0.00 H ATOM 152 H X 1 12.568 18.146 17.479 0.00 0.00 H ATOM 153 O X 1 15.221 17.877 19.182 0.00 0.00 O ATOM 154 H X 1 15.754 18.677 19.128 0.00 0.00 H ATOM 155 H X 1 15.821 17.116 18.930 0.00 0.00 H ATOM 156 O X 1 19.420 13.041 18.385 0.00 0.00 O ATOM 157 H X 1 20.257 12.726 18.022 0.00 0.00 H ATOM 158 H X 1 18.746 12.589 17.847 0.00 0.00 H ATOM 159 O X 1 16.651 15.823 18.373 0.00 0.00 O ATOM 160 H X 1 16.545 15.706 17.419 0.00 0.00 H ATOM 161 H X 1 17.635 15.871 18.519 0.00 0.00 H ATOM 162 O X 1 15.866 10.855 9.013 0.00 0.00 O ATOM 163 H X 1 15.601 11.744 9.289 0.00 0.00 H ATOM 164 H X 1 15.881 10.367 9.856 0.00 0.00 H ATOM 165 O X 1 21.354 14.786 14.162 0.00 0.00 O ATOM 166 H X 1 21.104 15.716 14.071 0.00 0.00 H ATOM 167 H X 1 21.079 14.383 13.327 0.00 0.00 H ATOM 168 O X 1 17.948 16.883 15.139 0.00 0.00 O ATOM 169 H X 1 18.667 16.929 15.795 0.00 0.00 H ATOM 170 H X 1 18.393 17.159 14.292 0.00 0.00 H ATOM 171 O X 1 19.318 15.848 18.648 0.00 0.00 O ATOM 172 H X 1 19.517 14.905 18.481 0.00 0.00 H ATOM 173 H X 1 19.878 16.390 18.061 0.00 0.00 H ATOM 174 O X 1 7.267 20.390 9.793 0.00 0.00 O ATOM 175 H X 1 6.317 20.560 9.790 0.00 0.00 H ATOM 176 H X 1 7.681 21.262 9.797 0.00 0.00 H ATOM 177 H X 1 8.777 21.538 19.761 0.00 0.00 H ATOM 178 H X 1 7.398 21.382 20.841 0.00 0.00 H ATOM 179 H X 1 7.175 22.013 19.210 0.00 0.00 H ATOM 180 H X 1 11.917 12.496 23.099 0.00 0.00 H ATOM 181 H X 1 10.213 12.394 23.533 0.00 0.00 H ATOM 182 H X 1 11.178 13.766 24.060 0.00 0.00 H ATOM 183 H X 1 21.594 10.531 13.931 0.00 0.00 H ATOM 184 H X 1 19.930 10.469 14.485 0.00 0.00 H ATOM 185 H X 1 21.127 9.386 15.185 0.00 0.00 H ATOM 186 H X 1 20.294 11.199 9.358 0.00 0.00 H ATOM 187 H X 1 18.571 10.775 9.485 0.00 0.00 H ATOM 188 H X 1 19.776 9.764 10.277 0.00 0.00 H ATOM 189 H X 1 8.686 16.953 8.238 0.00 0.00 H ATOM 190 H X 1 9.839 18.300 8.020 0.00 0.00 H ATOM 191 H X 1 8.759 18.295 9.395 0.00 0.00 H ATOM 192 H X 1 13.283 16.544 3.884 0.00 0.00 H ATOM 193 H X 1 11.881 15.569 4.311 0.00 0.00 H ATOM 194 H X 1 13.396 14.784 3.883 0.00 0.00 H ATOM 195 H X 1 12.653 12.320 7.161 0.00 0.00 H ATOM 196 H X 1 13.764 11.263 8.035 0.00 0.00 H ATOM 197 H X 1 10.688 11.111 8.182 0.00 0.00 H ATOM 198 H X 1 11.802 10.029 9.019 0.00 0.00 H ATOM 199 H X 1 11.726 10.015 7.263 0.00 0.00 H ATOM 200 H X 1 9.060 6.540 12.364 0.00 0.00 H ATOM 201 H X 1 9.970 7.240 11.054 0.00 0.00 H ATOM 202 H X 1 11.081 5.276 13.154 0.00 0.00 H ATOM 203 H X 1 12.039 5.944 11.837 0.00 0.00 H ATOM 204 H X 1 10.685 4.889 11.485 0.00 0.00 H ATOM 205 H X 1 22.152 18.684 17.039 0.00 0.00 H ATOM 206 H X 1 9.244 19.045 15.579 0.00 0.00 H ATOM 207 H X 1 9.178 20.805 15.499 0.00 0.00 H ATOM 208 H X 1 10.593 19.991 16.174 0.00 0.00 H ATOM 209 H X 1 7.387 12.895 11.724 0.00 0.00 H ATOM 210 H X 1 7.252 13.973 13.103 0.00 0.00 H ATOM 211 H X 1 17.681 15.133 8.637 0.00 0.00 H ATOM 212 H X 1 18.903 16.344 9.005 0.00 0.00 H ATOM 213 H X 1 17.214 16.726 9.292 0.00 0.00 H ATOM 214 H X 1 15.133 11.731 19.049 0.00 0.00 H ATOM 215 H X 1 16.010 12.469 17.719 0.00 0.00 H ATOM 216 H X 1 16.712 7.049 17.569 0.00 0.00 H ATOM 217 H X 1 15.677 7.485 16.366 0.00 0.00 H ATOM 218 H X 1 17.619 20.480 10.208 0.00 0.00 H ATOM 219 H X 1 17.784 19.536 11.688 0.00 0.00 H ATOM 220 H X 1 17.030 21.130 11.739 0.00 0.00 H END ATOM 1 C X 1 20.972 10.403 14.817 0.00 0.00 C ATOM 2 C X 1 21.272 11.451 15.888 0.00 0.00 C ATOM 3 H X 1 22.312 11.410 16.215 0.00 0.00 H ATOM 4 H X 1 21.080 12.460 15.524 0.00 0.00 H ATOM 5 H X 1 20.641 11.272 16.760 0.00 0.00 H ATOM 6 C X 1 19.540 10.815 10.030 0.00 0.00 C ATOM 7 C X 1 19.425 11.651 11.283 0.00 0.00 C ATOM 8 O X 1 18.556 11.127 12.167 0.00 0.00 O ATOM 9 O X 1 20.031 12.682 11.467 0.00 0.00 O ATOM 10 C X 1 11.011 13.083 23.232 0.00 0.00 C ATOM 11 C X 1 10.648 13.829 21.971 0.00 0.00 C ATOM 12 C X 1 9.317 14.015 21.593 0.00 0.00 C ATOM 13 H X 1 8.527 13.597 22.205 0.00 0.00 H ATOM 14 C X 1 8.978 14.715 20.437 0.00 0.00 C ATOM 15 H X 1 7.941 14.832 20.149 0.00 0.00 H ATOM 16 C X 1 9.985 15.252 19.643 0.00 0.00 C ATOM 17 O X 1 9.714 15.928 18.465 0.00 0.00 O ATOM 18 H X 1 8.855 16.414 18.491 0.00 0.00 H ATOM 19 C X 1 11.318 15.094 20.003 0.00 0.00 C ATOM 20 H X 1 12.080 15.550 19.386 0.00 0.00 H ATOM 21 C X 1 11.637 14.382 21.152 0.00 0.00 C ATOM 22 H X 1 12.679 14.266 21.423 0.00 0.00 H ATOM 23 N X 1 16.282 7.836 17.109 0.00 0.00 N ATOM 24 C X 1 17.275 8.769 16.555 0.00 0.00 C ATOM 25 H X 1 18.254 8.571 16.998 0.00 0.00 H ATOM 26 C X 1 17.427 8.616 15.037 0.00 0.00 C ATOM 27 H X 1 18.013 9.440 14.639 0.00 0.00 H ATOM 28 H X 1 17.948 7.679 14.823 0.00 0.00 H ATOM 29 O X 1 16.117 8.577 14.443 0.00 0.00 O ATOM 30 H X 1 16.163 8.934 13.542 0.00 0.00 H ATOM 31 C X 1 16.962 10.230 16.926 0.00 0.00 C ATOM 32 O X 1 17.765 11.131 16.635 0.00 0.00 O ATOM 33 N X 1 15.805 10.423 17.571 0.00 0.00 N ATOM 34 H X 1 15.329 9.559 17.815 0.00 0.00 H ATOM 35 C X 1 15.274 11.720 17.973 0.00 0.00 C ATOM 36 C X 1 13.934 12.049 17.307 0.00 0.00 C ATOM 37 H X 1 13.224 11.225 17.406 0.00 0.00 H ATOM 38 H X 1 13.470 12.891 17.829 0.00 0.00 H ATOM 39 C X 1 13.988 12.448 15.844 0.00 0.00 C ATOM 40 O X 1 12.903 12.701 15.240 0.00 0.00 O ATOM 41 O X 1 15.141 12.530 15.319 0.00 0.00 O ATOM 42 C X 1 21.423 18.318 16.348 0.00 0.00 C ATOM 43 O X 1 20.554 17.517 16.708 0.00 0.00 O ATOM 44 N X 1 21.546 18.815 15.112 0.00 0.00 N ATOM 45 H X 1 20.908 18.542 14.351 0.00 0.00 H ATOM 46 H X 1 22.307 19.440 14.899 0.00 0.00 H ATOM 47 C X 1 9.854 19.928 15.398 0.00 0.00 C ATOM 48 C X 1 10.493 19.873 14.014 0.00 0.00 C ATOM 49 H X 1 9.740 19.870 13.225 0.00 0.00 H ATOM 50 H X 1 11.102 20.763 13.831 0.00 0.00 H ATOM 51 C X 1 11.395 18.666 13.790 0.00 0.00 C ATOM 52 O X 1 11.807 17.960 14.704 0.00 0.00 O ATOM 53 O X 1 11.679 18.486 12.519 0.00 0.00 O ATOM 54 C X 1 7.728 21.280 19.810 0.00 0.00 C ATOM 55 C X 1 7.519 19.895 19.300 0.00 0.00 C ATOM 56 N X 1 6.271 19.293 19.251 0.00 0.00 N ATOM 57 H X 1 5.402 19.710 19.548 0.00 0.00 H ATOM 58 C X 1 6.418 18.038 18.750 0.00 0.00 C ATOM 59 H X 1 5.596 17.354 18.620 0.00 0.00 H ATOM 60 N X 1 7.680 17.799 18.464 0.00 0.00 N ATOM 61 C X 1 8.374 18.949 18.810 0.00 0.00 C ATOM 62 H X 1 9.443 19.008 18.703 0.00 0.00 H ATOM 63 C X 1 17.131 20.222 11.151 0.00 0.00 C ATOM 64 C X 1 15.798 19.598 10.921 0.00 0.00 C ATOM 65 N X 1 14.800 20.182 10.146 0.00 0.00 N ATOM 66 H X 1 14.880 21.060 9.656 0.00 0.00 H ATOM 67 C X 1 13.700 19.398 10.172 0.00 0.00 C ATOM 68 H X 1 12.771 19.619 9.679 0.00 0.00 H ATOM 69 N X 1 13.935 18.332 10.917 0.00 0.00 N ATOM 70 C X 1 15.238 18.447 11.387 0.00 0.00 C ATOM 71 H X 1 15.666 17.714 12.043 0.00 0.00 H ATOM 72 C X 1 17.961 15.932 9.336 0.00 0.00 C ATOM 73 C X 1 18.104 15.400 10.753 0.00 0.00 C ATOM 74 H X 1 18.879 14.632 10.825 0.00 0.00 H ATOM 75 H X 1 18.459 16.189 11.431 0.00 0.00 H ATOM 76 C X 1 16.875 14.812 11.388 0.00 0.00 C ATOM 77 O X 1 15.745 14.774 10.781 0.00 0.00 O ATOM 78 O X 1 17.065 14.383 12.566 0.00 0.00 O ATOM 79 C X 1 12.966 15.643 4.399 0.00 0.00 C ATOM 80 C X 1 13.358 15.667 5.835 0.00 0.00 C ATOM 81 N X 1 14.683 15.734 6.258 0.00 0.00 N ATOM 82 C X 1 14.735 15.726 7.600 0.00 0.00 C ATOM 83 H X 1 15.623 15.741 8.209 0.00 0.00 H ATOM 84 N X 1 13.496 15.666 8.053 0.00 0.00 N ATOM 85 H X 1 13.246 15.610 9.101 0.00 0.00 H ATOM 86 C X 1 12.624 15.624 6.982 0.00 0.00 C ATOM 87 H X 1 11.563 15.543 7.129 0.00 0.00 H ATOM 88 C X 1 9.344 17.654 8.742 0.00 0.00 C ATOM 89 C X 1 10.367 16.918 9.565 0.00 0.00 C ATOM 90 O X 1 10.240 15.666 9.714 0.00 0.00 O ATOM 91 O X 1 11.313 17.604 10.075 0.00 0.00 O ATOM 92 C X 1 7.750 13.072 12.740 0.00 0.00 C ATOM 93 C X 1 7.471 11.900 13.679 0.00 0.00 C ATOM 94 H X 1 7.895 12.091 14.664 0.00 0.00 H ATOM 95 H X 1 6.401 11.737 13.792 0.00 0.00 H ATOM 96 H X 1 7.905 10.978 13.287 0.00 0.00 H ATOM 97 C X 1 9.218 13.430 12.669 0.00 0.00 C ATOM 98 O X 1 9.900 13.496 13.705 0.00 0.00 O ATOM 99 O X 1 9.656 13.680 11.472 0.00 0.00 O ATOM 100 C X 1 11.683 10.662 8.143 0.00 0.00 C ATOM 101 C X 1 12.785 11.727 8.070 0.00 0.00 C ATOM 102 C X 1 12.748 12.697 9.232 0.00 0.00 C ATOM 103 O X 1 11.650 13.294 9.463 0.00 0.00 O ATOM 104 O X 1 13.829 12.886 9.886 0.00 0.00 O ATOM 105 C X 1 11.029 5.690 12.153 0.00 0.00 C ATOM 106 C X 1 10.067 6.880 12.088 0.00 0.00 C ATOM 107 C X 1 10.416 8.055 13.003 0.00 0.00 C ATOM 108 H X 1 9.580 8.758 12.999 0.00 0.00 H ATOM 109 H X 1 10.562 7.712 14.030 0.00 0.00 H ATOM 110 N X 1 11.627 8.754 12.547 0.00 0.00 N ATOM 111 H X 1 12.136 8.355 11.773 0.00 0.00 H ATOM 112 C X 1 12.127 9.886 13.077 0.00 0.00 C ATOM 113 N X 1 11.437 10.567 13.994 0.00 0.00 N ATOM 114 H X 1 10.437 10.479 14.063 0.00 0.00 H ATOM 115 H X 1 11.871 11.376 14.444 0.00 0.00 H ATOM 116 N X 1 13.320 10.326 12.695 0.00 0.00 N ATOM 117 H X 1 14.010 9.716 12.277 0.00 0.00 H ATOM 118 H X 1 13.635 11.284 12.875 0.00 0.00 H ATOM 119 O X 1 11.201 15.841 12.302 0.00 0.00 O ATOM 120 Ca X 1 11.943 14.641 14.322 0.00 0.00 CA ATOM 121 Mn X 1 12.468 17.001 11.638 0.00 0.00 MN ATOM 122 O X 1 12.323 13.466 12.065 0.00 0.00 O ATOM 123 Mn X 1 11.297 14.523 11.019 0.00 0.00 MN ATOM 124 O X 1 12.950 15.440 10.590 0.00 0.00 O ATOM 125 Mn X 1 14.020 14.009 11.541 0.00 0.00 MN ATOM 126 O X 1 14.848 12.758 12.476 0.00 0.00 O ATOM 127 Mn X 1 16.039 13.397 13.837 0.00 0.00 MN ATOM 128 O X 1 13.818 16.537 12.855 0.00 0.00 O ATOM 129 O X 1 13.592 15.948 15.668 0.00 0.00 O ATOM 130 O X 1 14.019 15.139 13.074 0.00 0.00 O ATOM 131 O X 1 16.243 15.024 15.161 0.00 0.00 O ATOM 132 O X 1 17.593 12.332 14.101 0.00 0.00 O ATOM 133 H X 1 15.386 15.468 15.323 0.00 0.00 H ATOM 134 H X 1 13.398 16.385 16.550 0.00 0.00 H ATOM 135 H X 1 13.534 16.697 15.046 0.00 0.00 H ATOM 136 H X 1 18.306 11.730 13.012 0.00 0.00 H ATOM 137 H X 1 16.979 15.731 15.084 0.00 0.00 H ATOM 138 H X 1 17.704 11.972 15.001 0.00 0.00 H ATOM 139 H X 1 15.493 15.756 5.654 0.00 0.00 H ATOM 140 Cl X 1 19.517 17.927 12.753 0.00 0.00 CL ATOM 141 O X 1 10.340 15.130 15.943 0.00 0.00 O ATOM 142 H X 1 9.409 15.066 15.668 0.00 0.00 H ATOM 143 H X 1 10.297 15.425 16.880 0.00 0.00 H ATOM 144 O X 1 7.617 16.112 15.560 0.00 0.00 O ATOM 145 H X 1 7.611 16.626 16.386 0.00 0.00 H ATOM 146 H X 1 7.903 16.737 14.882 0.00 0.00 H ATOM 147 O X 1 16.037 10.165 11.811 0.00 0.00 O ATOM 148 H X 1 17.011 10.308 11.858 0.00 0.00 H ATOM 149 H X 1 15.690 11.064 11.994 0.00 0.00 H ATOM 150 O X 1 13.041 17.334 17.845 0.00 0.00 O ATOM 151 H X 1 13.849 17.667 18.331 0.00 0.00 H ATOM 152 H X 1 12.562 18.098 17.505 0.00 0.00 H ATOM 153 O X 1 15.232 17.867 19.179 0.00 0.00 O ATOM 154 H X 1 15.769 18.665 19.125 0.00 0.00 H ATOM 155 H X 1 15.827 17.100 18.935 0.00 0.00 H ATOM 156 O X 1 19.430 12.987 18.449 0.00 0.00 O ATOM 157 H X 1 20.264 12.718 18.044 0.00 0.00 H ATOM 158 H X 1 18.755 12.583 17.876 0.00 0.00 H ATOM 159 O X 1 16.637 15.775 18.376 0.00 0.00 O ATOM 160 H X 1 16.540 15.667 17.420 0.00 0.00 H ATOM 161 H X 1 17.621 15.838 18.521 0.00 0.00 H ATOM 162 O X 1 15.865 10.854 9.014 0.00 0.00 O ATOM 163 H X 1 15.621 11.749 9.293 0.00 0.00 H ATOM 164 H X 1 15.893 10.369 9.858 0.00 0.00 H ATOM 165 O X 1 21.363 14.731 14.109 0.00 0.00 O ATOM 166 H X 1 21.112 15.661 14.019 0.00 0.00 H ATOM 167 H X 1 21.050 14.315 13.293 0.00 0.00 H ATOM 168 O X 1 17.970 16.901 15.147 0.00 0.00 O ATOM 169 H X 1 18.685 16.937 15.806 0.00 0.00 H ATOM 170 H X 1 18.415 17.162 14.299 0.00 0.00 H ATOM 171 O X 1 19.280 15.843 18.652 0.00 0.00 O ATOM 172 H X 1 19.507 14.903 18.512 0.00 0.00 H ATOM 173 H X 1 19.858 16.393 18.092 0.00 0.00 H ATOM 174 O X 1 7.273 20.394 9.797 0.00 0.00 O ATOM 175 H X 1 6.324 20.571 9.798 0.00 0.00 H ATOM 176 H X 1 7.693 21.263 9.805 0.00 0.00 H ATOM 177 H X 1 8.784 21.541 19.763 0.00 0.00 H ATOM 178 H X 1 7.411 21.382 20.850 0.00 0.00 H ATOM 179 H X 1 7.179 22.018 19.222 0.00 0.00 H ATOM 180 H X 1 11.923 12.500 23.102 0.00 0.00 H ATOM 181 H X 1 10.219 12.399 23.536 0.00 0.00 H ATOM 182 H X 1 11.185 13.769 24.064 0.00 0.00 H ATOM 183 H X 1 21.602 10.534 13.937 0.00 0.00 H ATOM 184 H X 1 19.938 10.476 14.486 0.00 0.00 H ATOM 185 H X 1 21.130 9.389 15.191 0.00 0.00 H ATOM 186 H X 1 20.306 11.229 9.381 0.00 0.00 H ATOM 187 H X 1 18.585 10.799 9.500 0.00 0.00 H ATOM 188 H X 1 19.789 9.785 10.283 0.00 0.00 H ATOM 189 H X 1 8.678 16.961 8.235 0.00 0.00 H ATOM 190 H X 1 9.835 18.307 8.021 0.00 0.00 H ATOM 191 H X 1 8.755 18.299 9.398 0.00 0.00 H ATOM 192 H X 1 13.285 16.548 3.879 0.00 0.00 H ATOM 193 H X 1 11.885 15.571 4.309 0.00 0.00 H ATOM 194 H X 1 13.401 14.787 3.878 0.00 0.00 H ATOM 195 H X 1 12.655 12.323 7.162 0.00 0.00 H ATOM 196 H X 1 13.770 11.268 8.037 0.00 0.00 H ATOM 197 H X 1 10.694 11.112 8.188 0.00 0.00 H ATOM 198 H X 1 11.811 10.032 9.024 0.00 0.00 H ATOM 199 H X 1 11.731 10.016 7.267 0.00 0.00 H ATOM 200 H X 1 9.067 6.546 12.370 0.00 0.00 H ATOM 201 H X 1 9.978 7.245 11.061 0.00 0.00 H ATOM 202 H X 1 11.086 5.279 13.161 0.00 0.00 H ATOM 203 H X 1 12.045 5.946 11.845 0.00 0.00 H ATOM 204 H X 1 10.691 4.892 11.492 0.00 0.00 H ATOM 205 H X 1 22.175 18.696 17.055 0.00 0.00 H ATOM 206 H X 1 9.256 19.039 15.594 0.00 0.00 H ATOM 207 H X 1 9.200 20.796 15.486 0.00 0.00 H ATOM 208 H X 1 10.605 19.989 16.182 0.00 0.00 H ATOM 209 H X 1 7.382 12.894 11.731 0.00 0.00 H ATOM 210 H X 1 7.251 13.973 13.111 0.00 0.00 H ATOM 211 H X 1 17.686 15.140 8.636 0.00 0.00 H ATOM 212 H X 1 18.911 16.349 9.004 0.00 0.00 H ATOM 213 H X 1 17.222 16.733 9.291 0.00 0.00 H ATOM 214 H X 1 15.142 11.735 19.056 0.00 0.00 H ATOM 215 H X 1 16.019 12.471 17.724 0.00 0.00 H ATOM 216 H X 1 16.718 7.049 17.571 0.00 0.00 H ATOM 217 H X 1 15.683 7.486 16.369 0.00 0.00 H ATOM 218 H X 1 17.624 20.487 10.214 0.00 0.00 H ATOM 219 H X 1 17.789 19.537 11.691 0.00 0.00 H ATOM 220 H X 1 17.039 21.133 11.748 0.00 0.00 H END ATOM 1 C X 1 20.972 10.416 14.828 0.00 0.00 C ATOM 2 C X 1 21.269 11.465 15.899 0.00 0.00 C ATOM 3 H X 1 22.302 11.410 16.245 0.00 0.00 H ATOM 4 H X 1 21.099 12.475 15.527 0.00 0.00 H ATOM 5 H X 1 20.618 11.301 16.758 0.00 0.00 H ATOM 6 C X 1 19.541 10.827 10.037 0.00 0.00 C ATOM 7 C X 1 19.432 11.661 11.291 0.00 0.00 C ATOM 8 O X 1 18.564 11.134 12.180 0.00 0.00 O ATOM 9 O X 1 20.037 12.686 11.477 0.00 0.00 O ATOM 10 C X 1 10.998 13.087 23.232 0.00 0.00 C ATOM 11 C X 1 10.637 13.849 21.980 0.00 0.00 C ATOM 12 C X 1 9.308 14.023 21.595 0.00 0.00 C ATOM 13 H X 1 8.517 13.590 22.195 0.00 0.00 H ATOM 14 C X 1 8.970 14.727 20.442 0.00 0.00 C ATOM 15 H X 1 7.935 14.835 20.143 0.00 0.00 H ATOM 16 C X 1 9.977 15.279 19.661 0.00 0.00 C ATOM 17 O X 1 9.708 15.948 18.479 0.00 0.00 O ATOM 18 H X 1 8.831 16.391 18.483 0.00 0.00 H ATOM 19 C X 1 11.309 15.141 20.031 0.00 0.00 C ATOM 20 H X 1 12.072 15.611 19.424 0.00 0.00 H ATOM 21 C X 1 11.628 14.425 21.178 0.00 0.00 C ATOM 22 H X 1 12.669 14.320 21.458 0.00 0.00 H ATOM 23 N X 1 16.275 7.848 17.085 0.00 0.00 N ATOM 24 C X 1 17.286 8.779 16.559 0.00 0.00 C ATOM 25 H X 1 18.261 8.555 16.995 0.00 0.00 H ATOM 26 C X 1 17.433 8.660 15.038 0.00 0.00 C ATOM 27 H X 1 18.035 9.481 14.657 0.00 0.00 H ATOM 28 H X 1 17.934 7.716 14.803 0.00 0.00 H ATOM 29 O X 1 16.122 8.661 14.446 0.00 0.00 O ATOM 30 H X 1 16.180 8.990 13.535 0.00 0.00 H ATOM 31 C X 1 16.995 10.236 16.964 0.00 0.00 C ATOM 32 O X 1 17.825 11.126 16.717 0.00 0.00 O ATOM 33 N X 1 15.824 10.432 17.581 0.00 0.00 N ATOM 34 H X 1 15.331 9.568 17.786 0.00 0.00 H ATOM 35 C X 1 15.282 11.726 17.982 0.00 0.00 C ATOM 36 C X 1 13.939 12.042 17.317 0.00 0.00 C ATOM 37 H X 1 13.231 11.217 17.427 0.00 0.00 H ATOM 38 H X 1 13.473 12.888 17.831 0.00 0.00 H ATOM 39 C X 1 13.992 12.422 15.848 0.00 0.00 C ATOM 40 O X 1 12.910 12.696 15.248 0.00 0.00 O ATOM 41 O X 1 15.145 12.458 15.317 0.00 0.00 O ATOM 42 C X 1 21.422 18.346 16.352 0.00 0.00 C ATOM 43 O X 1 20.524 17.588 16.732 0.00 0.00 O ATOM 44 N X 1 21.556 18.816 15.106 0.00 0.00 N ATOM 45 H X 1 20.917 18.531 14.352 0.00 0.00 H ATOM 46 H X 1 22.345 19.396 14.871 0.00 0.00 H ATOM 47 C X 1 9.845 19.924 15.391 0.00 0.00 C ATOM 48 C X 1 10.496 19.837 14.015 0.00 0.00 C ATOM 49 H X 1 9.749 19.786 13.221 0.00 0.00 H ATOM 50 H X 1 11.084 20.735 13.802 0.00 0.00 H ATOM 51 C X 1 11.428 18.646 13.834 0.00 0.00 C ATOM 52 O X 1 11.807 17.948 14.770 0.00 0.00 O ATOM 53 O X 1 11.772 18.474 12.577 0.00 0.00 O ATOM 54 C X 1 7.711 21.280 19.794 0.00 0.00 C ATOM 55 C X 1 7.476 19.907 19.266 0.00 0.00 C ATOM 56 N X 1 6.226 19.307 19.257 0.00 0.00 N ATOM 57 H X 1 5.373 19.715 19.608 0.00 0.00 H ATOM 58 C X 1 6.350 18.061 18.728 0.00 0.00 C ATOM 59 H X 1 5.524 17.379 18.623 0.00 0.00 H ATOM 60 N X 1 7.600 17.826 18.385 0.00 0.00 N ATOM 61 C X 1 8.308 18.970 18.723 0.00 0.00 C ATOM 62 H X 1 9.371 19.032 18.573 0.00 0.00 H ATOM 63 C X 1 17.139 20.232 11.155 0.00 0.00 C ATOM 64 C X 1 15.809 19.610 10.910 0.00 0.00 C ATOM 65 N X 1 14.797 20.206 10.162 0.00 0.00 N ATOM 66 H X 1 14.859 21.104 9.705 0.00 0.00 H ATOM 67 C X 1 13.703 19.413 10.182 0.00 0.00 C ATOM 68 H X 1 12.763 19.644 9.716 0.00 0.00 H ATOM 69 N X 1 13.957 18.327 10.895 0.00 0.00 N ATOM 70 C X 1 15.265 18.441 11.350 0.00 0.00 C ATOM 71 H X 1 15.707 17.695 11.982 0.00 0.00 H ATOM 72 C X 1 17.959 15.934 9.336 0.00 0.00 C ATOM 73 C X 1 18.093 15.384 10.747 0.00 0.00 C ATOM 74 H X 1 18.876 14.624 10.812 0.00 0.00 H ATOM 75 H X 1 18.441 16.167 11.436 0.00 0.00 H ATOM 76 C X 1 16.869 14.774 11.375 0.00 0.00 C ATOM 77 O X 1 15.727 14.776 10.786 0.00 0.00 O ATOM 78 O X 1 17.073 14.281 12.525 0.00 0.00 O ATOM 79 C X 1 12.985 15.637 4.382 0.00 0.00 C ATOM 80 C X 1 13.368 15.668 5.821 0.00 0.00 C ATOM 81 N X 1 14.689 15.756 6.250 0.00 0.00 N ATOM 82 C X 1 14.735 15.749 7.592 0.00 0.00 C ATOM 83 H X 1 15.619 15.781 8.205 0.00 0.00 H ATOM 84 N X 1 13.495 15.669 8.039 0.00 0.00 N ATOM 85 H X 1 13.243 15.608 9.087 0.00 0.00 H ATOM 86 C X 1 12.629 15.614 6.963 0.00 0.00 C ATOM 87 H X 1 11.568 15.519 7.104 0.00 0.00 H ATOM 88 C X 1 9.358 17.665 8.754 0.00 0.00 C ATOM 89 C X 1 10.371 16.930 9.589 0.00 0.00 C ATOM 90 O X 1 10.249 15.673 9.713 0.00 0.00 O ATOM 91 O X 1 11.302 17.615 10.123 0.00 0.00 O ATOM 92 C X 1 7.746 13.068 12.731 0.00 0.00 C ATOM 93 C X 1 7.478 11.888 13.664 0.00 0.00 C ATOM 94 H X 1 7.900 12.076 14.649 0.00 0.00 H ATOM 95 H X 1 6.409 11.717 13.774 0.00 0.00 H ATOM 96 H X 1 7.917 10.970 13.266 0.00 0.00 H ATOM 97 C X 1 9.209 13.446 12.667 0.00 0.00 C ATOM 98 O X 1 9.894 13.492 13.701 0.00 0.00 O ATOM 99 O X 1 9.635 13.733 11.475 0.00 0.00 O ATOM 100 C X 1 11.701 10.654 8.137 0.00 0.00 C ATOM 101 C X 1 12.785 11.735 8.059 0.00 0.00 C ATOM 102 C X 1 12.744 12.699 9.226 0.00 0.00 C ATOM 103 O X 1 11.645 13.295 9.459 0.00 0.00 O ATOM 104 O X 1 13.824 12.885 9.884 0.00 0.00 O ATOM 105 C X 1 11.042 5.685 12.153 0.00 0.00 C ATOM 106 C X 1 10.082 6.874 12.075 0.00 0.00 C ATOM 107 C X 1 10.424 8.052 12.989 0.00 0.00 C ATOM 108 H X 1 9.587 8.753 12.980 0.00 0.00 H ATOM 109 H X 1 10.566 7.712 14.017 0.00 0.00 H ATOM 110 N X 1 11.636 8.752 12.538 0.00 0.00 N ATOM 111 H X 1 12.135 8.370 11.748 0.00 0.00 H ATOM 112 C X 1 12.138 9.875 13.084 0.00 0.00 C ATOM 113 N X 1 11.456 10.530 14.028 0.00 0.00 N ATOM 114 H X 1 10.454 10.453 14.085 0.00 0.00 H ATOM 115 H X 1 11.886 11.346 14.467 0.00 0.00 H ATOM 116 N X 1 13.322 10.331 12.696 0.00 0.00 N ATOM 117 H X 1 14.014 9.736 12.261 0.00 0.00 H ATOM 118 H X 1 13.629 11.293 12.878 0.00 0.00 H ATOM 119 O X 1 11.232 15.849 12.310 0.00 0.00 O ATOM 120 Ca X 1 11.912 14.625 14.345 0.00 0.00 CA ATOM 121 Mn X 1 12.510 16.992 11.641 0.00 0.00 MN ATOM 122 O X 1 12.305 13.465 12.062 0.00 0.00 O ATOM 123 Mn X 1 11.296 14.529 11.019 0.00 0.00 MN ATOM 124 O X 1 12.956 15.436 10.579 0.00 0.00 O ATOM 125 Mn X 1 14.008 14.008 11.544 0.00 0.00 MN ATOM 126 O X 1 14.799 12.758 12.510 0.00 0.00 O ATOM 127 Mn X 1 16.063 13.324 13.840 0.00 0.00 MN ATOM 128 O X 1 13.884 16.530 12.826 0.00 0.00 O ATOM 129 O X 1 13.560 15.951 15.667 0.00 0.00 O ATOM 130 O X 1 14.001 15.140 13.074 0.00 0.00 O ATOM 131 O X 1 16.193 15.047 15.146 0.00 0.00 O ATOM 132 O X 1 17.625 12.333 14.176 0.00 0.00 O ATOM 133 H X 1 15.332 15.495 15.290 0.00 0.00 H ATOM 134 H X 1 13.374 16.360 16.562 0.00 0.00 H ATOM 135 H X 1 13.448 16.720 15.077 0.00 0.00 H ATOM 136 H X 1 18.347 11.722 13.019 0.00 0.00 H ATOM 137 H X 1 16.917 15.755 15.075 0.00 0.00 H ATOM 138 H X 1 17.747 11.990 15.082 0.00 0.00 H ATOM 139 H X 1 15.502 15.796 5.650 0.00 0.00 H ATOM 140 Cl X 1 19.540 17.891 12.719 0.00 0.00 CL ATOM 141 O X 1 10.329 15.126 15.995 0.00 0.00 O ATOM 142 H X 1 9.389 15.166 15.739 0.00 0.00 H ATOM 143 H X 1 10.317 15.424 16.933 0.00 0.00 H ATOM 144 O X 1 7.616 16.113 15.730 0.00 0.00 O ATOM 145 H X 1 7.621 16.678 16.526 0.00 0.00 H ATOM 146 H X 1 7.714 16.721 14.987 0.00 0.00 H ATOM 147 O X 1 16.027 10.240 11.798 0.00 0.00 O ATOM 148 H X 1 16.999 10.388 11.855 0.00 0.00 H ATOM 149 H X 1 15.665 11.135 11.974 0.00 0.00 H ATOM 150 O X 1 13.029 17.320 17.856 0.00 0.00 O ATOM 151 H X 1 13.847 17.635 18.337 0.00 0.00 H ATOM 152 H X 1 12.527 18.091 17.567 0.00 0.00 H ATOM 153 O X 1 15.233 17.775 19.179 0.00 0.00 O ATOM 154 H X 1 15.780 18.565 19.117 0.00 0.00 H ATOM 155 H X 1 15.809 17.005 18.904 0.00 0.00 H ATOM 156 O X 1 19.426 12.982 18.466 0.00 0.00 O ATOM 157 H X 1 20.272 12.696 18.097 0.00 0.00 H ATOM 158 H X 1 18.767 12.539 17.901 0.00 0.00 H ATOM 159 O X 1 16.622 15.684 18.301 0.00 0.00 O ATOM 160 H X 1 16.531 15.574 17.343 0.00 0.00 H ATOM 161 H X 1 17.602 15.774 18.455 0.00 0.00 H ATOM 162 O X 1 15.878 10.937 8.945 0.00 0.00 O ATOM 163 H X 1 15.609 11.816 9.250 0.00 0.00 H ATOM 164 H X 1 15.897 10.423 9.771 0.00 0.00 H ATOM 165 O X 1 21.360 14.716 13.842 0.00 0.00 O ATOM 166 H X 1 21.012 15.600 13.650 0.00 0.00 H ATOM 167 H X 1 20.940 14.141 13.186 0.00 0.00 H ATOM 168 O X 1 17.946 16.969 15.148 0.00 0.00 O ATOM 169 H X 1 18.657 17.015 15.811 0.00 0.00 H ATOM 170 H X 1 18.407 17.206 14.303 0.00 0.00 H ATOM 171 O X 1 19.257 15.844 18.656 0.00 0.00 O ATOM 172 H X 1 19.505 14.910 18.517 0.00 0.00 H ATOM 173 H X 1 19.831 16.407 18.103 0.00 0.00 H ATOM 174 O X 1 7.273 20.395 9.797 0.00 0.00 O ATOM 175 H X 1 6.339 20.640 9.805 0.00 0.00 H ATOM 176 H X 1 7.754 21.232 9.818 0.00 0.00 H ATOM 177 H X 1 8.764 21.539 19.703 0.00 0.00 H ATOM 178 H X 1 7.443 21.362 20.849 0.00 0.00 H ATOM 179 H X 1 7.137 22.032 19.246 0.00 0.00 H ATOM 180 H X 1 11.909 12.503 23.095 0.00 0.00 H ATOM 181 H X 1 10.204 12.399 23.524 0.00 0.00 H ATOM 182 H X 1 11.172 13.761 24.074 0.00 0.00 H ATOM 183 H X 1 21.621 10.529 13.960 0.00 0.00 H ATOM 184 H X 1 19.946 10.504 14.477 0.00 0.00 H ATOM 185 H X 1 21.104 9.402 15.211 0.00 0.00 H ATOM 186 H X 1 20.314 11.239 9.396 0.00 0.00 H ATOM 187 H X 1 18.590 10.822 9.502 0.00 0.00 H ATOM 188 H X 1 19.782 9.794 10.287 0.00 0.00 H ATOM 189 H X 1 8.708 16.966 8.235 0.00 0.00 H ATOM 190 H X 1 9.855 18.322 8.041 0.00 0.00 H ATOM 191 H X 1 8.750 18.302 9.400 0.00 0.00 H ATOM 192 H X 1 13.292 16.545 3.862 0.00 0.00 H ATOM 193 H X 1 11.905 15.549 4.286 0.00 0.00 H ATOM 194 H X 1 13.434 14.787 3.864 0.00 0.00 H ATOM 195 H X 1 12.637 12.334 7.155 0.00 0.00 H ATOM 196 H X 1 13.776 11.292 8.012 0.00 0.00 H ATOM 197 H X 1 10.705 11.088 8.192 0.00 0.00 H ATOM 198 H X 1 11.845 10.021 9.013 0.00 0.00 H ATOM 199 H X 1 11.751 10.013 7.257 0.00 0.00 H ATOM 200 H X 1 9.079 6.543 12.349 0.00 0.00 H ATOM 201 H X 1 10.004 7.236 11.046 0.00 0.00 H ATOM 202 H X 1 11.088 5.276 13.163 0.00 0.00 H ATOM 203 H X 1 12.061 5.939 11.856 0.00 0.00 H ATOM 204 H X 1 10.710 4.885 11.490 0.00 0.00 H ATOM 205 H X 1 22.193 18.708 17.049 0.00 0.00 H ATOM 206 H X 1 9.263 19.030 15.610 0.00 0.00 H ATOM 207 H X 1 9.174 20.783 15.448 0.00 0.00 H ATOM 208 H X 1 10.591 20.024 16.177 0.00 0.00 H ATOM 209 H X 1 7.385 12.891 11.720 0.00 0.00 H ATOM 210 H X 1 7.232 13.959 13.103 0.00 0.00 H ATOM 211 H X 1 17.684 15.154 8.623 0.00 0.00 H ATOM 212 H X 1 18.915 16.349 9.013 0.00 0.00 H ATOM 213 H X 1 17.228 16.743 9.295 0.00 0.00 H ATOM 214 H X 1 15.150 11.740 19.065 0.00 0.00 H ATOM 215 H X 1 16.020 12.484 17.734 0.00 0.00 H ATOM 216 H X 1 16.698 7.058 17.553 0.00 0.00 H ATOM 217 H X 1 15.690 7.505 16.331 0.00 0.00 H ATOM 218 H X 1 17.633 20.519 10.224 0.00 0.00 H ATOM 219 H X 1 17.796 19.535 11.679 0.00 0.00 H ATOM 220 H X 1 17.045 21.128 11.773 0.00 0.00 H END ATOM 1 C X 1 20.964 10.427 14.845 0.00 0.00 C ATOM 2 C X 1 21.258 11.478 15.915 0.00 0.00 C ATOM 3 H X 1 22.281 11.405 16.285 0.00 0.00 H ATOM 4 H X 1 21.116 12.488 15.530 0.00 0.00 H ATOM 5 H X 1 20.582 11.337 16.758 0.00 0.00 H ATOM 6 C X 1 19.537 10.806 10.022 0.00 0.00 C ATOM 7 C X 1 19.458 11.623 11.288 0.00 0.00 C ATOM 8 O X 1 18.566 11.131 12.170 0.00 0.00 O ATOM 9 O X 1 20.117 12.617 11.488 0.00 0.00 O ATOM 10 C X 1 10.973 13.080 23.237 0.00 0.00 C ATOM 11 C X 1 10.618 13.862 21.997 0.00 0.00 C ATOM 12 C X 1 9.292 14.027 21.599 0.00 0.00 C ATOM 13 H X 1 8.499 13.571 22.180 0.00 0.00 H ATOM 14 C X 1 8.961 14.754 20.459 0.00 0.00 C ATOM 15 H X 1 7.928 14.857 20.148 0.00 0.00 H ATOM 16 C X 1 9.972 15.334 19.705 0.00 0.00 C ATOM 17 O X 1 9.709 16.031 18.537 0.00 0.00 O ATOM 18 H X 1 8.798 16.389 18.521 0.00 0.00 H ATOM 19 C X 1 11.301 15.203 20.086 0.00 0.00 C ATOM 20 H X 1 12.063 15.694 19.494 0.00 0.00 H ATOM 21 C X 1 11.612 14.465 21.220 0.00 0.00 C ATOM 22 H X 1 12.651 14.364 21.509 0.00 0.00 H ATOM 23 N X 1 16.268 7.856 17.070 0.00 0.00 N ATOM 24 C X 1 17.289 8.781 16.555 0.00 0.00 C ATOM 25 H X 1 18.260 8.547 16.996 0.00 0.00 H ATOM 26 C X 1 17.440 8.671 15.034 0.00 0.00 C ATOM 27 H X 1 18.036 9.500 14.660 0.00 0.00 H ATOM 28 H X 1 17.948 7.733 14.793 0.00 0.00 H ATOM 29 O X 1 16.129 8.668 14.443 0.00 0.00 O ATOM 30 H X 1 16.183 9.004 13.534 0.00 0.00 H ATOM 31 C X 1 17.006 10.237 16.966 0.00 0.00 C ATOM 32 O X 1 17.838 11.126 16.722 0.00 0.00 O ATOM 33 N X 1 15.838 10.433 17.587 0.00 0.00 N ATOM 34 H X 1 15.338 9.571 17.783 0.00 0.00 H ATOM 35 C X 1 15.301 11.727 17.991 0.00 0.00 C ATOM 36 C X 1 13.971 12.047 17.306 0.00 0.00 C ATOM 37 H X 1 13.262 11.221 17.401 0.00 0.00 H ATOM 38 H X 1 13.496 12.894 17.808 0.00 0.00 H ATOM 39 C X 1 14.049 12.423 15.839 0.00 0.00 C ATOM 40 O X 1 12.976 12.699 15.224 0.00 0.00 O ATOM 41 O X 1 15.209 12.450 15.323 0.00 0.00 O ATOM 42 C X 1 21.403 18.373 16.350 0.00 0.00 C ATOM 43 O X 1 20.458 17.677 16.735 0.00 0.00 O ATOM 44 N X 1 21.581 18.806 15.096 0.00 0.00 N ATOM 45 H X 1 20.944 18.526 14.339 0.00 0.00 H ATOM 46 H X 1 22.409 19.329 14.857 0.00 0.00 H ATOM 47 C X 1 9.838 19.921 15.369 0.00 0.00 C ATOM 48 C X 1 10.488 19.812 13.995 0.00 0.00 C ATOM 49 H X 1 9.738 19.718 13.206 0.00 0.00 H ATOM 50 H X 1 11.049 20.718 13.754 0.00 0.00 H ATOM 51 C X 1 11.447 18.641 13.834 0.00 0.00 C ATOM 52 O X 1 11.809 17.945 14.778 0.00 0.00 O ATOM 53 O X 1 11.830 18.483 12.588 0.00 0.00 O ATOM 54 C X 1 7.697 21.286 19.788 0.00 0.00 C ATOM 55 C X 1 7.433 19.919 19.260 0.00 0.00 C ATOM 56 N X 1 6.184 19.318 19.316 0.00 0.00 N ATOM 57 H X 1 5.350 19.728 19.709 0.00 0.00 H ATOM 58 C X 1 6.276 18.082 18.760 0.00 0.00 C ATOM 59 H X 1 5.441 17.408 18.677 0.00 0.00 H ATOM 60 N X 1 7.505 17.850 18.344 0.00 0.00 N ATOM 61 C X 1 8.231 18.990 18.655 0.00 0.00 C ATOM 62 H X 1 9.283 19.055 18.441 0.00 0.00 H ATOM 63 C X 1 17.139 20.232 11.173 0.00 0.00 C ATOM 64 C X 1 15.811 19.609 10.920 0.00 0.00 C ATOM 65 N X 1 14.786 20.230 10.212 0.00 0.00 N ATOM 66 H X 1 14.839 21.144 9.786 0.00 0.00 H ATOM 67 C X 1 13.697 19.429 10.208 0.00 0.00 C ATOM 68 H X 1 12.751 19.676 9.764 0.00 0.00 H ATOM 69 N X 1 13.966 18.316 10.871 0.00 0.00 N ATOM 70 C X 1 15.279 18.419 11.315 0.00 0.00 C ATOM 71 H X 1 15.731 17.653 11.914 0.00 0.00 H ATOM 72 C X 1 17.965 15.941 9.330 0.00 0.00 C ATOM 73 C X 1 18.097 15.375 10.734 0.00 0.00 C ATOM 74 H X 1 18.876 14.610 10.792 0.00 0.00 H ATOM 75 H X 1 18.451 16.151 11.429 0.00 0.00 H ATOM 76 C X 1 16.874 14.771 11.364 0.00 0.00 C ATOM 77 O X 1 15.729 14.776 10.784 0.00 0.00 O ATOM 78 O X 1 17.090 14.281 12.514 0.00 0.00 O ATOM 79 C X 1 13.008 15.634 4.366 0.00 0.00 C ATOM 80 C X 1 13.379 15.668 5.808 0.00 0.00 C ATOM 81 N X 1 14.696 15.775 6.247 0.00 0.00 N ATOM 82 C X 1 14.732 15.771 7.590 0.00 0.00 C ATOM 83 H X 1 15.611 15.821 8.208 0.00 0.00 H ATOM 84 N X 1 13.490 15.672 8.028 0.00 0.00 N ATOM 85 H X 1 13.235 15.608 9.073 0.00 0.00 H ATOM 86 C X 1 12.632 15.604 6.946 0.00 0.00 C ATOM 87 H X 1 11.571 15.497 7.078 0.00 0.00 H ATOM 88 C X 1 9.358 17.668 8.753 0.00 0.00 C ATOM 89 C X 1 10.370 16.932 9.591 0.00 0.00 C ATOM 90 O X 1 10.249 15.675 9.713 0.00 0.00 O ATOM 91 O X 1 11.298 17.618 10.130 0.00 0.00 O ATOM 92 C X 1 7.744 13.062 12.723 0.00 0.00 C ATOM 93 C X 1 7.478 11.874 13.646 0.00 0.00 C ATOM 94 H X 1 7.897 12.056 14.634 0.00 0.00 H ATOM 95 H X 1 6.409 11.699 13.754 0.00 0.00 H ATOM 96 H X 1 7.921 10.961 13.243 0.00 0.00 H ATOM 97 C X 1 9.206 13.443 12.663 0.00 0.00 C ATOM 98 O X 1 9.889 13.487 13.698 0.00 0.00 O ATOM 99 O X 1 9.633 13.736 11.472 0.00 0.00 O ATOM 100 C X 1 11.718 10.649 8.128 0.00 0.00 C ATOM 101 C X 1 12.785 11.748 8.047 0.00 0.00 C ATOM 102 C X 1 12.744 12.703 9.222 0.00 0.00 C ATOM 103 O X 1 11.644 13.295 9.458 0.00 0.00 O ATOM 104 O X 1 13.823 12.884 9.882 0.00 0.00 O ATOM 105 C X 1 11.051 5.682 12.149 0.00 0.00 C ATOM 106 C X 1 10.095 6.874 12.055 0.00 0.00 C ATOM 107 C X 1 10.426 8.055 12.969 0.00 0.00 C ATOM 108 H X 1 9.587 8.754 12.952 0.00 0.00 H ATOM 109 H X 1 10.563 7.718 13.998 0.00 0.00 H ATOM 110 N X 1 11.640 8.758 12.526 0.00 0.00 N ATOM 111 H X 1 12.130 8.394 11.724 0.00 0.00 H ATOM 112 C X 1 12.144 9.875 13.085 0.00 0.00 C ATOM 113 N X 1 11.469 10.515 14.045 0.00 0.00 N ATOM 114 H X 1 10.467 10.439 14.108 0.00 0.00 H ATOM 115 H X 1 11.903 11.328 14.487 0.00 0.00 H ATOM 116 N X 1 13.324 10.339 12.696 0.00 0.00 N ATOM 117 H X 1 14.013 9.751 12.246 0.00 0.00 H ATOM 118 H X 1 13.629 11.299 12.889 0.00 0.00 H ATOM 119 O X 1 11.235 15.851 12.311 0.00 0.00 O ATOM 120 Ca X 1 11.904 14.607 14.346 0.00 0.00 CA ATOM 121 Mn X 1 12.514 16.990 11.639 0.00 0.00 MN ATOM 122 O X 1 12.307 13.464 12.063 0.00 0.00 O ATOM 123 Mn X 1 11.297 14.529 11.019 0.00 0.00 MN ATOM 124 O X 1 12.955 15.432 10.576 0.00 0.00 O ATOM 125 Mn X 1 14.010 14.008 11.547 0.00 0.00 MN ATOM 126 O X 1 14.817 12.768 12.522 0.00 0.00 O ATOM 127 Mn X 1 16.105 13.306 13.832 0.00 0.00 MN ATOM 128 O X 1 13.890 16.527 12.821 0.00 0.00 O ATOM 129 O X 1 13.488 15.955 15.678 0.00 0.00 O ATOM 130 O X 1 13.999 15.142 13.075 0.00 0.00 O ATOM 131 O X 1 16.188 15.056 15.142 0.00 0.00 O ATOM 132 O X 1 17.693 12.348 14.180 0.00 0.00 O ATOM 133 H X 1 15.321 15.496 15.251 0.00 0.00 H ATOM 134 H X 1 13.300 16.331 16.583 0.00 0.00 H ATOM 135 H X 1 13.334 16.739 15.115 0.00 0.00 H ATOM 136 H X 1 18.379 11.716 13.022 0.00 0.00 H ATOM 137 H X 1 16.906 15.773 15.076 0.00 0.00 H ATOM 138 H X 1 17.813 11.995 15.083 0.00 0.00 H ATOM 139 H X 1 15.512 15.835 5.654 0.00 0.00 H ATOM 140 Cl X 1 19.539 17.859 12.702 0.00 0.00 CL ATOM 141 O X 1 10.319 15.132 16.014 0.00 0.00 O ATOM 142 H X 1 9.379 15.258 15.781 0.00 0.00 H ATOM 143 H X 1 10.355 15.437 16.945 0.00 0.00 H ATOM 144 O X 1 7.617 16.191 15.831 0.00 0.00 O ATOM 145 H X 1 7.596 16.762 16.627 0.00 0.00 H ATOM 146 H X 1 7.565 16.795 15.080 0.00 0.00 H ATOM 147 O X 1 16.027 10.250 11.794 0.00 0.00 O ATOM 148 H X 1 16.998 10.407 11.849 0.00 0.00 H ATOM 149 H X 1 15.655 11.143 11.966 0.00 0.00 H ATOM 150 O X 1 12.958 17.306 17.927 0.00 0.00 O ATOM 151 H X 1 13.800 17.597 18.378 0.00 0.00 H ATOM 152 H X 1 12.466 18.095 17.672 0.00 0.00 H ATOM 153 O X 1 15.227 17.689 19.176 0.00 0.00 O ATOM 154 H X 1 15.799 18.461 19.111 0.00 0.00 H ATOM 155 H X 1 15.772 16.905 18.876 0.00 0.00 H ATOM 156 O X 1 19.427 12.979 18.549 0.00 0.00 O ATOM 157 H X 1 20.281 12.687 18.204 0.00 0.00 H ATOM 158 H X 1 18.779 12.531 17.976 0.00 0.00 H ATOM 159 O X 1 16.549 15.582 18.260 0.00 0.00 O ATOM 160 H X 1 16.462 15.474 17.301 0.00 0.00 H ATOM 161 H X 1 17.524 15.699 18.418 0.00 0.00 H ATOM 162 O X 1 15.877 10.947 8.931 0.00 0.00 O ATOM 163 H X 1 15.605 11.828 9.227 0.00 0.00 H ATOM 164 H X 1 15.895 10.441 9.762 0.00 0.00 H ATOM 165 O X 1 21.353 14.629 13.570 0.00 0.00 O ATOM 166 H X 1 20.936 15.473 13.343 0.00 0.00 H ATOM 167 H X 1 20.875 13.965 13.051 0.00 0.00 H ATOM 168 O X 1 17.940 16.976 15.145 0.00 0.00 O ATOM 169 H X 1 18.636 17.058 15.821 0.00 0.00 H ATOM 170 H X 1 18.411 17.206 14.303 0.00 0.00 H ATOM 171 O X 1 19.175 15.846 18.654 0.00 0.00 O ATOM 172 H X 1 19.473 14.922 18.548 0.00 0.00 H ATOM 173 H X 1 19.758 16.429 18.134 0.00 0.00 H ATOM 174 O X 1 7.273 20.395 9.882 0.00 0.00 O ATOM 175 H X 1 6.364 20.720 9.856 0.00 0.00 H ATOM 176 H X 1 7.825 21.188 9.866 0.00 0.00 H ATOM 177 H X 1 8.743 21.548 19.641 0.00 0.00 H ATOM 178 H X 1 7.488 21.355 20.858 0.00 0.00 H ATOM 179 H X 1 7.092 22.042 19.282 0.00 0.00 H ATOM 180 H X 1 11.884 12.497 23.093 0.00 0.00 H ATOM 181 H X 1 10.176 12.391 23.516 0.00 0.00 H ATOM 182 H X 1 11.147 13.742 24.089 0.00 0.00 H ATOM 183 H X 1 21.635 10.521 13.991 0.00 0.00 H ATOM 184 H X 1 19.948 10.534 14.469 0.00 0.00 H ATOM 185 H X 1 21.064 9.413 15.238 0.00 0.00 H ATOM 186 H X 1 20.313 11.216 9.383 0.00 0.00 H ATOM 187 H X 1 18.581 10.825 9.492 0.00 0.00 H ATOM 188 H X 1 19.763 9.766 10.253 0.00 0.00 H ATOM 189 H X 1 8.718 16.971 8.221 0.00 0.00 H ATOM 190 H X 1 9.859 18.336 8.054 0.00 0.00 H ATOM 191 H X 1 8.739 18.293 9.400 0.00 0.00 H ATOM 192 H X 1 13.305 16.549 3.850 0.00 0.00 H ATOM 193 H X 1 11.930 15.529 4.260 0.00 0.00 H ATOM 194 H X 1 13.475 14.793 3.850 0.00 0.00 H ATOM 195 H X 1 12.616 12.351 7.150 0.00 0.00 H ATOM 196 H X 1 13.782 11.318 7.983 0.00 0.00 H ATOM 197 H X 1 10.716 11.066 8.194 0.00 0.00 H ATOM 198 H X 1 11.882 10.011 8.997 0.00 0.00 H ATOM 199 H X 1 11.771 10.015 7.243 0.00 0.00 H ATOM 200 H X 1 9.087 6.545 12.318 0.00 0.00 H ATOM 201 H X 1 10.029 7.231 11.024 0.00 0.00 H ATOM 202 H X 1 11.082 5.276 13.161 0.00 0.00 H ATOM 203 H X 1 12.075 5.934 11.866 0.00 0.00 H ATOM 204 H X 1 10.725 4.881 11.485 0.00 0.00 H ATOM 205 H X 1 22.183 18.706 17.050 0.00 0.00 H ATOM 206 H X 1 9.277 19.020 15.616 0.00 0.00 H ATOM 207 H X 1 9.148 20.765 15.402 0.00 0.00 H ATOM 208 H X 1 10.582 20.063 16.151 0.00 0.00 H ATOM 209 H X 1 7.385 12.891 11.710 0.00 0.00 H ATOM 210 H X 1 7.226 13.949 13.100 0.00 0.00 H ATOM 211 H X 1 17.682 15.171 8.608 0.00 0.00 H ATOM 212 H X 1 18.923 16.352 9.013 0.00 0.00 H ATOM 213 H X 1 17.240 16.756 9.300 0.00 0.00 H ATOM 214 H X 1 15.155 11.737 19.072 0.00 0.00 H ATOM 215 H X 1 16.044 12.484 17.755 0.00 0.00 H ATOM 216 H X 1 16.680 7.059 17.538 0.00 0.00 H ATOM 217 H X 1 15.685 7.523 16.310 0.00 0.00 H ATOM 218 H X 1 17.625 20.544 10.246 0.00 0.00 H ATOM 219 H X 1 17.802 19.525 11.676 0.00 0.00 H ATOM 220 H X 1 17.043 21.112 11.813 0.00 0.00 H END