1697 lines
131 KiB
Plaintext
1697 lines
131 KiB
Plaintext
ATOM 1 O MOL D 1 5.901 7.384 1.103 0.00 0.00 DUM
|
|
ATOM 2 H MOL D 1 6.047 8.238 0.581 0.00 0.00 DUM
|
|
ATOM 3 H MOL D 1 6.188 7.533 2.057 0.00 0.00 DUM
|
|
ATOM 4 O MOL D 2 0.253 14.198 8.269 0.00 0.00 DUM
|
|
ATOM 5 H MOL D 2 1.061 13.575 8.111 0.00 0.00 DUM
|
|
ATOM 6 H MOL D 2 0.663 15.170 8.563 0.00 0.00 DUM
|
|
ATOM 7 O MOL D 3 2.119 7.114 9.433 0.00 0.00 DUM
|
|
ATOM 8 H MOL D 3 1.181 6.745 9.485 0.00 0.00 DUM
|
|
ATOM 9 H MOL D 3 2.442 7.332 10.361 0.00 0.00 DUM
|
|
ATOM 10 O MOL D 4 10.086 24.812 10.097 0.00 0.00 DUM
|
|
ATOM 11 H MOL D 4 9.202 24.755 9.598 0.00 0.00 DUM
|
|
ATOM 12 H MOL D 4 9.891 25.326 10.952 0.00 0.00 DUM
|
|
ATOM 13 O MOL D 5 6.173 15.436 15.260 0.00 0.00 DUM
|
|
ATOM 14 H MOL D 5 5.275 15.363 14.780 0.00 0.00 DUM
|
|
ATOM 15 H MOL D 5 6.616 14.524 15.117 0.00 0.00 DUM
|
|
ATOM 16 O MOL D 6 9.602 7.403 4.964 0.00 0.00 DUM
|
|
ATOM 17 H MOL D 6 9.104 6.698 4.514 0.00 0.00 DUM
|
|
ATOM 18 H MOL D 6 10.167 7.018 5.685 0.00 0.00 DUM
|
|
ATOM 19 O MOL D 7 21.548 24.542 2.255 0.00 0.00 DUM
|
|
ATOM 20 H MOL D 7 20.679 25.019 2.046 0.00 0.00 DUM
|
|
ATOM 21 H MOL D 7 22.275 24.983 1.693 0.00 0.00 DUM
|
|
ATOM 22 O MOL D 8 24.025 2.184 19.714 0.00 0.00 DUM
|
|
ATOM 23 H MOL D 8 24.488 2.493 20.574 0.00 0.00 DUM
|
|
ATOM 24 H MOL D 8 24.000 1.170 19.816 0.00 0.00 DUM
|
|
ATOM 25 O MOL D 9 21.937 22.583 14.285 0.00 0.00 DUM
|
|
ATOM 26 H MOL D 9 21.739 22.401 13.319 0.00 0.00 DUM
|
|
ATOM 27 H MOL D 9 22.946 22.524 14.306 0.00 0.00 DUM
|
|
ATOM 28 O MOL D 10 20.738 3.461 8.366 0.00 0.00 DUM
|
|
ATOM 29 H MOL D 10 20.168 2.934 7.727 0.00 0.00 DUM
|
|
ATOM 30 H MOL D 10 21.524 2.921 8.646 0.00 0.00 DUM
|
|
ATOM 31 O MOL D 11 2.327 11.085 22.264 0.00 0.00 DUM
|
|
ATOM 32 H MOL D 11 3.125 10.495 22.627 0.00 0.00 DUM
|
|
ATOM 33 H MOL D 11 2.415 11.285 21.254 0.00 0.00 DUM
|
|
ATOM 34 O MOL D 12 10.714 19.804 1.926 0.00 0.00 DUM
|
|
ATOM 35 H MOL D 12 10.196 19.202 2.623 0.00 0.00 DUM
|
|
ATOM 36 H MOL D 12 11.605 20.038 2.326 0.00 0.00 DUM
|
|
ATOM 37 O MOL D 13 9.435 3.060 10.078 0.00 0.00 DUM
|
|
ATOM 38 H MOL D 13 8.511 2.966 9.593 0.00 0.00 DUM
|
|
ATOM 39 H MOL D 13 10.032 2.356 9.682 0.00 0.00 DUM
|
|
ATOM 40 O MOL D 14 5.115 5.527 7.435 0.00 0.00 DUM
|
|
ATOM 41 H MOL D 14 4.557 6.383 7.278 0.00 0.00 DUM
|
|
ATOM 42 H MOL D 14 5.047 5.270 8.440 0.00 0.00 DUM
|
|
ATOM 43 O MOL D 15 3.878 12.212 6.650 0.00 0.00 DUM
|
|
ATOM 44 H MOL D 15 2.966 12.211 7.130 0.00 0.00 DUM
|
|
ATOM 45 H MOL D 15 4.462 12.854 7.135 0.00 0.00 DUM
|
|
ATOM 46 O MOL D 16 16.631 18.483 13.900 0.00 0.00 DUM
|
|
ATOM 47 H MOL D 16 16.704 19.222 13.182 0.00 0.00 DUM
|
|
ATOM 48 H MOL D 16 16.716 18.886 14.818 0.00 0.00 DUM
|
|
ATOM 49 O MOL D 17 21.326 2.861 23.137 0.00 0.00 DUM
|
|
ATOM 50 H MOL D 17 20.991 2.264 23.902 0.00 0.00 DUM
|
|
ATOM 51 H MOL D 17 20.988 3.782 23.374 0.00 0.00 DUM
|
|
ATOM 52 O MOL D 18 22.979 7.879 13.848 0.00 0.00 DUM
|
|
ATOM 53 H MOL D 18 23.062 7.642 14.860 0.00 0.00 DUM
|
|
ATOM 54 H MOL D 18 23.522 8.679 13.705 0.00 0.00 DUM
|
|
ATOM 55 O MOL D 19 -0.435 11.889 -0.792 0.00 0.00 DUM
|
|
ATOM 56 H MOL D 19 -0.062 12.213 0.100 0.00 0.00 DUM
|
|
ATOM 57 H MOL D 19 0.347 11.669 -1.417 0.00 0.00 DUM
|
|
ATOM 58 O MOL D 20 4.907 21.410 23.911 0.00 0.00 DUM
|
|
ATOM 59 H MOL D 20 5.674 21.145 23.327 0.00 0.00 DUM
|
|
ATOM 60 H MOL D 20 4.742 20.659 24.557 0.00 0.00 DUM
|
|
ATOM 61 O MOL D 21 2.802 14.452 11.325 0.00 0.00 DUM
|
|
ATOM 62 H MOL D 21 2.635 13.466 11.171 0.00 0.00 DUM
|
|
ATOM 63 H MOL D 21 3.069 14.817 10.423 0.00 0.00 DUM
|
|
ATOM 64 O MOL D 22 3.959 19.873 11.863 0.00 0.00 DUM
|
|
ATOM 65 H MOL D 22 4.957 19.852 12.091 0.00 0.00 DUM
|
|
ATOM 66 H MOL D 22 3.797 19.153 11.172 0.00 0.00 DUM
|
|
ATOM 67 O MOL D 23 20.150 24.543 14.230 0.00 0.00 DUM
|
|
ATOM 68 H MOL D 23 20.543 25.272 14.821 0.00 0.00 DUM
|
|
ATOM 69 H MOL D 23 20.698 23.694 14.381 0.00 0.00 DUM
|
|
ATOM 70 O MOL D 24 16.458 16.780 1.154 0.00 0.00 DUM
|
|
ATOM 71 H MOL D 24 17.065 16.593 0.336 0.00 0.00 DUM
|
|
ATOM 72 H MOL D 24 16.266 17.766 1.282 0.00 0.00 DUM
|
|
ATOM 73 O MOL D 25 17.330 13.811 3.388 0.00 0.00 DUM
|
|
ATOM 74 H MOL D 25 17.353 13.342 4.276 0.00 0.00 DUM
|
|
ATOM 75 H MOL D 25 16.357 14.034 3.111 0.00 0.00 DUM
|
|
ATOM 76 O MOL D 26 2.025 -0.334 10.301 0.00 0.00 DUM
|
|
ATOM 77 H MOL D 26 2.570 -0.823 10.970 0.00 0.00 DUM
|
|
ATOM 78 H MOL D 26 2.421 0.608 10.163 0.00 0.00 DUM
|
|
ATOM 79 O MOL D 27 23.341 4.359 3.903 0.00 0.00 DUM
|
|
ATOM 80 H MOL D 27 22.406 4.529 3.513 0.00 0.00 DUM
|
|
ATOM 81 H MOL D 27 23.904 5.144 3.720 0.00 0.00 DUM
|
|
ATOM 82 O MOL D 28 24.988 14.221 21.972 0.00 0.00 DUM
|
|
ATOM 83 H MOL D 28 24.717 14.952 22.598 0.00 0.00 DUM
|
|
ATOM 84 H MOL D 28 24.283 13.540 22.045 0.00 0.00 DUM
|
|
ATOM 85 O MOL D 29 5.777 9.576 20.498 0.00 0.00 DUM
|
|
ATOM 86 H MOL D 29 5.468 9.367 19.573 0.00 0.00 DUM
|
|
ATOM 87 H MOL D 29 6.736 9.883 20.524 0.00 0.00 DUM
|
|
ATOM 88 O MOL D 30 7.348 4.689 22.905 0.00 0.00 DUM
|
|
ATOM 89 H MOL D 30 6.883 5.350 22.323 0.00 0.00 DUM
|
|
ATOM 90 H MOL D 30 8.359 4.814 22.631 0.00 0.00 DUM
|
|
ATOM 91 O MOL D 31 9.975 15.886 18.874 0.00 0.00 DUM
|
|
ATOM 92 H MOL D 31 9.741 16.820 18.586 0.00 0.00 DUM
|
|
ATOM 93 H MOL D 31 10.438 15.534 18.046 0.00 0.00 DUM
|
|
ATOM 94 O MOL D 32 12.017 11.891 17.471 0.00 0.00 DUM
|
|
ATOM 95 H MOL D 32 13.026 11.809 17.093 0.00 0.00 DUM
|
|
ATOM 96 H MOL D 32 11.808 12.824 17.137 0.00 0.00 DUM
|
|
ATOM 97 O MOL D 33 20.041 24.292 4.779 0.00 0.00 DUM
|
|
ATOM 98 H MOL D 33 19.964 24.856 5.606 0.00 0.00 DUM
|
|
ATOM 99 H MOL D 33 20.671 24.712 4.077 0.00 0.00 DUM
|
|
ATOM 100 O MOL D 34 9.057 11.101 24.080 0.00 0.00 DUM
|
|
ATOM 101 H MOL D 34 9.939 11.072 24.570 0.00 0.00 DUM
|
|
ATOM 102 H MOL D 34 8.958 11.987 23.585 0.00 0.00 DUM
|
|
ATOM 103 O MOL D 35 18.701 13.699 24.336 0.00 0.00 DUM
|
|
ATOM 104 H MOL D 35 19.144 13.060 24.984 0.00 0.00 DUM
|
|
ATOM 105 H MOL D 35 18.038 13.147 23.802 0.00 0.00 DUM
|
|
ATOM 106 O MOL D 36 10.268 7.083 24.510 0.00 0.00 DUM
|
|
ATOM 107 H MOL D 36 10.589 6.189 24.174 0.00 0.00 DUM
|
|
ATOM 108 H MOL D 36 9.914 6.949 25.470 0.00 0.00 DUM
|
|
ATOM 109 O MOL D 37 24.176 0.633 17.355 0.00 0.00 DUM
|
|
ATOM 110 H MOL D 37 23.644 0.032 17.973 0.00 0.00 DUM
|
|
ATOM 111 H MOL D 37 24.273 1.506 17.886 0.00 0.00 DUM
|
|
ATOM 112 O MOL D 38 23.209 1.465 8.698 0.00 0.00 DUM
|
|
ATOM 113 H MOL D 38 22.701 0.755 8.130 0.00 0.00 DUM
|
|
ATOM 114 H MOL D 38 24.186 1.551 8.326 0.00 0.00 DUM
|
|
ATOM 115 O MOL D 39 23.276 5.571 12.154 0.00 0.00 DUM
|
|
ATOM 116 H MOL D 39 23.157 6.299 12.836 0.00 0.00 DUM
|
|
ATOM 117 H MOL D 39 22.805 5.860 11.311 0.00 0.00 DUM
|
|
ATOM 118 O MOL D 40 18.870 2.207 17.821 0.00 0.00 DUM
|
|
ATOM 119 H MOL D 40 18.089 2.532 18.454 0.00 0.00 DUM
|
|
ATOM 120 H MOL D 40 19.684 2.514 18.353 0.00 0.00 DUM
|
|
ATOM 121 O MOL D 41 3.298 19.893 16.711 0.00 0.00 DUM
|
|
ATOM 122 H MOL D 41 4.143 19.446 16.958 0.00 0.00 DUM
|
|
ATOM 123 H MOL D 41 3.411 20.883 16.805 0.00 0.00 DUM
|
|
ATOM 124 O MOL D 42 9.122 16.883 15.483 0.00 0.00 DUM
|
|
ATOM 125 H MOL D 42 9.577 15.967 15.135 0.00 0.00 DUM
|
|
ATOM 126 H MOL D 42 8.172 16.779 15.215 0.00 0.00 DUM
|
|
ATOM 127 O MOL D 43 22.548 10.453 2.334 0.00 0.00 DUM
|
|
ATOM 128 H MOL D 43 22.322 11.246 2.943 0.00 0.00 DUM
|
|
ATOM 129 H MOL D 43 22.793 10.852 1.448 0.00 0.00 DUM
|
|
ATOM 130 O MOL D 44 3.560 8.835 14.463 0.00 0.00 DUM
|
|
ATOM 131 H MOL D 44 3.456 8.540 15.432 0.00 0.00 DUM
|
|
ATOM 132 H MOL D 44 4.061 9.726 14.473 0.00 0.00 DUM
|
|
ATOM 133 O MOL D 45 24.380 0.296 14.740 0.00 0.00 DUM
|
|
ATOM 134 H MOL D 45 24.302 0.216 15.771 0.00 0.00 DUM
|
|
ATOM 135 H MOL D 45 23.592 0.899 14.466 0.00 0.00 DUM
|
|
ATOM 136 O MOL D 46 5.622 20.199 3.993 0.00 0.00 DUM
|
|
ATOM 137 H MOL D 46 5.030 19.660 3.355 0.00 0.00 DUM
|
|
ATOM 138 H MOL D 46 5.616 21.128 3.600 0.00 0.00 DUM
|
|
ATOM 139 O MOL D 47 19.780 21.628 4.031 0.00 0.00 DUM
|
|
ATOM 140 H MOL D 47 20.008 22.573 4.397 0.00 0.00 DUM
|
|
ATOM 141 H MOL D 47 18.840 21.477 4.128 0.00 0.00 DUM
|
|
ATOM 142 O MOL D 48 14.763 13.781 13.914 0.00 0.00 DUM
|
|
ATOM 143 H MOL D 48 13.748 13.656 13.934 0.00 0.00 DUM
|
|
ATOM 144 H MOL D 48 14.994 14.676 13.528 0.00 0.00 DUM
|
|
ATOM 145 O MOL D 49 1.909 17.314 4.295 0.00 0.00 DUM
|
|
ATOM 146 H MOL D 49 1.717 16.336 3.966 0.00 0.00 DUM
|
|
ATOM 147 H MOL D 49 2.727 17.590 3.696 0.00 0.00 DUM
|
|
ATOM 148 O MOL D 50 17.204 10.321 13.163 0.00 0.00 DUM
|
|
ATOM 149 H MOL D 50 18.088 10.477 13.640 0.00 0.00 DUM
|
|
ATOM 150 H MOL D 50 16.665 9.677 13.709 0.00 0.00 DUM
|
|
ATOM 151 O MOL D 51 19.068 5.760 13.124 0.00 0.00 DUM
|
|
ATOM 152 H MOL D 51 18.305 5.646 13.801 0.00 0.00 DUM
|
|
ATOM 153 H MOL D 51 19.677 4.992 13.133 0.00 0.00 DUM
|
|
ATOM 154 O MOL D 52 18.410 9.013 4.451 0.00 0.00 DUM
|
|
ATOM 155 H MOL D 52 18.521 8.076 3.958 0.00 0.00 DUM
|
|
ATOM 156 H MOL D 52 18.112 8.712 5.406 0.00 0.00 DUM
|
|
ATOM 157 O MOL D 53 23.286 14.992 0.838 0.00 0.00 DUM
|
|
ATOM 158 H MOL D 53 24.262 15.290 0.967 0.00 0.00 DUM
|
|
ATOM 159 H MOL D 53 22.741 15.795 1.217 0.00 0.00 DUM
|
|
ATOM 160 O MOL D 54 23.721 16.213 4.483 0.00 0.00 DUM
|
|
ATOM 161 H MOL D 54 24.345 16.608 5.178 0.00 0.00 DUM
|
|
ATOM 162 H MOL D 54 23.063 15.550 4.891 0.00 0.00 DUM
|
|
ATOM 163 O MOL D 55 -0.516 7.442 25.979 0.00 0.00 DUM
|
|
ATOM 164 H MOL D 55 -0.927 6.447 25.928 0.00 0.00 DUM
|
|
ATOM 165 H MOL D 55 0.374 7.375 25.504 0.00 0.00 DUM
|
|
ATOM 166 O MOL D 56 25.983 16.323 1.401 0.00 0.00 DUM
|
|
ATOM 167 H MOL D 56 26.575 15.878 0.732 0.00 0.00 DUM
|
|
ATOM 168 H MOL D 56 26.150 15.904 2.312 0.00 0.00 DUM
|
|
ATOM 169 O MOL D 57 4.040 6.554 19.806 0.00 0.00 DUM
|
|
ATOM 170 H MOL D 57 3.029 6.635 20.132 0.00 0.00 DUM
|
|
ATOM 171 H MOL D 57 4.055 7.053 18.904 0.00 0.00 DUM
|
|
ATOM 172 O MOL D 58 18.391 16.463 12.720 0.00 0.00 DUM
|
|
ATOM 173 H MOL D 58 17.706 16.913 13.261 0.00 0.00 DUM
|
|
ATOM 174 H MOL D 58 19.141 17.067 12.474 0.00 0.00 DUM
|
|
ATOM 175 O MOL D 59 15.965 6.372 5.490 0.00 0.00 DUM
|
|
ATOM 176 H MOL D 59 16.091 7.313 5.837 0.00 0.00 DUM
|
|
ATOM 177 H MOL D 59 16.417 6.232 4.613 0.00 0.00 DUM
|
|
ATOM 178 O MOL D 60 21.235 7.966 6.621 0.00 0.00 DUM
|
|
ATOM 179 H MOL D 60 20.488 7.841 7.257 0.00 0.00 DUM
|
|
ATOM 180 H MOL D 60 21.973 7.337 6.743 0.00 0.00 DUM
|
|
ATOM 181 O MOL D 61 16.352 9.777 21.636 0.00 0.00 DUM
|
|
ATOM 182 H MOL D 61 17.326 9.973 21.529 0.00 0.00 DUM
|
|
ATOM 183 H MOL D 61 16.268 9.099 22.398 0.00 0.00 DUM
|
|
ATOM 184 O MOL D 62 0.696 3.718 17.471 0.00 0.00 DUM
|
|
ATOM 185 H MOL D 62 0.317 4.070 18.375 0.00 0.00 DUM
|
|
ATOM 186 H MOL D 62 0.988 2.760 17.636 0.00 0.00 DUM
|
|
ATOM 187 O MOL D 63 26.026 2.256 7.493 0.00 0.00 DUM
|
|
ATOM 188 H MOL D 63 26.563 2.939 8.058 0.00 0.00 DUM
|
|
ATOM 189 H MOL D 63 25.738 2.685 6.663 0.00 0.00 DUM
|
|
ATOM 190 O MOL D 64 4.316 5.381 9.965 0.00 0.00 DUM
|
|
ATOM 191 H MOL D 64 4.625 5.329 10.925 0.00 0.00 DUM
|
|
ATOM 192 H MOL D 64 3.334 5.067 9.924 0.00 0.00 DUM
|
|
ATOM 193 O MOL D 65 6.083 4.446 1.098 0.00 0.00 DUM
|
|
ATOM 194 H MOL D 65 6.468 3.929 0.286 0.00 0.00 DUM
|
|
ATOM 195 H MOL D 65 6.192 5.414 0.892 0.00 0.00 DUM
|
|
ATOM 196 O MOL D 66 1.009 17.190 14.037 0.00 0.00 DUM
|
|
ATOM 197 H MOL D 66 1.691 17.927 13.970 0.00 0.00 DUM
|
|
ATOM 198 H MOL D 66 0.124 17.595 14.263 0.00 0.00 DUM
|
|
ATOM 199 O MOL D 67 14.049 16.878 10.486 0.00 0.00 DUM
|
|
ATOM 200 H MOL D 67 14.129 17.907 10.654 0.00 0.00 DUM
|
|
ATOM 201 H MOL D 67 14.221 16.380 11.371 0.00 0.00 DUM
|
|
ATOM 202 O MOL D 68 0.366 19.802 4.164 0.00 0.00 DUM
|
|
ATOM 203 H MOL D 68 0.966 20.603 4.271 0.00 0.00 DUM
|
|
ATOM 204 H MOL D 68 0.911 18.973 4.265 0.00 0.00 DUM
|
|
ATOM 205 O MOL D 69 2.437 3.766 5.715 0.00 0.00 DUM
|
|
ATOM 206 H MOL D 69 1.446 3.678 5.554 0.00 0.00 DUM
|
|
ATOM 207 H MOL D 69 2.507 4.787 5.900 0.00 0.00 DUM
|
|
ATOM 208 O MOL D 70 1.489 14.860 18.054 0.00 0.00 DUM
|
|
ATOM 209 H MOL D 70 2.381 15.218 18.476 0.00 0.00 DUM
|
|
ATOM 210 H MOL D 70 1.447 15.185 17.105 0.00 0.00 DUM
|
|
ATOM 211 O MOL D 71 23.586 19.588 3.314 0.00 0.00 DUM
|
|
ATOM 212 H MOL D 71 24.041 19.247 2.462 0.00 0.00 DUM
|
|
ATOM 213 H MOL D 71 24.336 19.424 3.934 0.00 0.00 DUM
|
|
ATOM 214 O MOL D 72 18.801 23.222 25.072 0.00 0.00 DUM
|
|
ATOM 215 H MOL D 72 18.620 22.262 25.350 0.00 0.00 DUM
|
|
ATOM 216 H MOL D 72 19.754 23.361 25.246 0.00 0.00 DUM
|
|
ATOM 217 O MOL D 73 8.694 14.215 0.305 0.00 0.00 DUM
|
|
ATOM 218 H MOL D 73 8.204 14.032 -0.524 0.00 0.00 DUM
|
|
ATOM 219 H MOL D 73 9.694 14.065 0.067 0.00 0.00 DUM
|
|
ATOM 220 O MOL D 74 24.602 8.375 10.282 0.00 0.00 DUM
|
|
ATOM 221 H MOL D 74 24.364 9.168 10.919 0.00 0.00 DUM
|
|
ATOM 222 H MOL D 74 25.068 8.780 9.431 0.00 0.00 DUM
|
|
ATOM 223 O MOL D 75 1.216 11.677 12.434 0.00 0.00 DUM
|
|
ATOM 224 H MOL D 75 0.640 11.162 13.064 0.00 0.00 DUM
|
|
ATOM 225 H MOL D 75 0.546 12.176 11.821 0.00 0.00 DUM
|
|
ATOM 226 O MOL D 76 -0.067 3.124 4.615 0.00 0.00 DUM
|
|
ATOM 227 H MOL D 76 -0.821 3.752 4.332 0.00 0.00 DUM
|
|
ATOM 228 H MOL D 76 0.241 2.518 3.903 0.00 0.00 DUM
|
|
ATOM 229 O MOL D 77 17.011 23.679 7.062 0.00 0.00 DUM
|
|
ATOM 230 H MOL D 77 17.880 23.260 7.359 0.00 0.00 DUM
|
|
ATOM 231 H MOL D 77 17.204 24.618 6.699 0.00 0.00 DUM
|
|
ATOM 232 O MOL D 78 17.354 10.175 2.103 0.00 0.00 DUM
|
|
ATOM 233 H MOL D 78 17.512 10.044 3.061 0.00 0.00 DUM
|
|
ATOM 234 H MOL D 78 17.961 10.972 1.827 0.00 0.00 DUM
|
|
ATOM 235 O MOL D 79 13.569 6.592 19.995 0.00 0.00 DUM
|
|
ATOM 236 H MOL D 79 13.847 6.536 20.992 0.00 0.00 DUM
|
|
ATOM 237 H MOL D 79 12.541 6.463 20.043 0.00 0.00 DUM
|
|
ATOM 238 O MOL D 80 2.404 12.895 3.685 0.00 0.00 DUM
|
|
ATOM 239 H MOL D 80 3.309 13.401 3.737 0.00 0.00 DUM
|
|
ATOM 240 H MOL D 80 2.316 12.137 4.319 0.00 0.00 DUM
|
|
ATOM 241 O MOL D 81 12.066 0.749 21.382 0.00 0.00 DUM
|
|
ATOM 242 H MOL D 81 12.822 1.405 21.419 0.00 0.00 DUM
|
|
ATOM 243 H MOL D 81 11.264 1.181 21.822 0.00 0.00 DUM
|
|
ATOM 244 O MOL D 82 2.783 11.907 19.747 0.00 0.00 DUM
|
|
ATOM 245 H MOL D 82 3.185 12.080 18.828 0.00 0.00 DUM
|
|
ATOM 246 H MOL D 82 1.899 12.456 19.875 0.00 0.00 DUM
|
|
ATOM 247 O MOL D 83 20.535 7.478 1.891 0.00 0.00 DUM
|
|
ATOM 248 H MOL D 83 20.745 8.466 2.089 0.00 0.00 DUM
|
|
ATOM 249 H MOL D 83 19.822 7.106 2.533 0.00 0.00 DUM
|
|
ATOM 250 O MOL D 84 6.694 2.159 5.261 0.00 0.00 DUM
|
|
ATOM 251 H MOL D 84 7.600 2.390 4.815 0.00 0.00 DUM
|
|
ATOM 252 H MOL D 84 6.132 1.832 4.506 0.00 0.00 DUM
|
|
ATOM 253 O MOL D 85 7.373 10.933 16.871 0.00 0.00 DUM
|
|
ATOM 254 H MOL D 85 7.822 11.217 17.751 0.00 0.00 DUM
|
|
ATOM 255 H MOL D 85 6.673 10.254 17.059 0.00 0.00 DUM
|
|
ATOM 256 O MOL D 86 13.242 16.403 15.999 0.00 0.00 DUM
|
|
ATOM 257 H MOL D 86 13.202 17.349 15.651 0.00 0.00 DUM
|
|
ATOM 258 H MOL D 86 14.215 16.191 16.221 0.00 0.00 DUM
|
|
ATOM 259 O MOL D 87 8.436 10.341 21.273 0.00 0.00 DUM
|
|
ATOM 260 H MOL D 87 8.585 11.011 21.985 0.00 0.00 DUM
|
|
ATOM 261 H MOL D 87 8.523 9.405 21.729 0.00 0.00 DUM
|
|
ATOM 262 O MOL D 88 16.011 8.116 14.651 0.00 0.00 DUM
|
|
ATOM 263 H MOL D 88 15.132 8.249 15.177 0.00 0.00 DUM
|
|
ATOM 264 H MOL D 88 16.818 8.320 15.304 0.00 0.00 DUM
|
|
ATOM 265 O MOL D 89 17.684 7.805 19.560 0.00 0.00 DUM
|
|
ATOM 266 H MOL D 89 17.489 7.167 20.313 0.00 0.00 DUM
|
|
ATOM 267 H MOL D 89 18.672 7.870 19.469 0.00 0.00 DUM
|
|
ATOM 268 O MOL D 90 4.032 12.419 17.364 0.00 0.00 DUM
|
|
ATOM 269 H MOL D 90 3.659 12.415 16.389 0.00 0.00 DUM
|
|
ATOM 270 H MOL D 90 4.354 13.235 17.749 0.00 0.00 DUM
|
|
ATOM 271 O MOL D 91 8.024 18.148 8.368 0.00 0.00 DUM
|
|
ATOM 272 H MOL D 91 7.772 17.979 9.363 0.00 0.00 DUM
|
|
ATOM 273 H MOL D 91 7.605 19.068 8.119 0.00 0.00 DUM
|
|
ATOM 274 O MOL D 92 17.668 3.844 19.440 0.00 0.00 DUM
|
|
ATOM 275 H MOL D 92 18.300 4.355 20.062 0.00 0.00 DUM
|
|
ATOM 276 H MOL D 92 16.788 4.386 19.390 0.00 0.00 DUM
|
|
ATOM 277 O MOL D 93 14.400 12.228 16.311 0.00 0.00 DUM
|
|
ATOM 278 H MOL D 93 14.456 12.477 15.326 0.00 0.00 DUM
|
|
ATOM 279 H MOL D 93 15.341 12.470 16.705 0.00 0.00 DUM
|
|
ATOM 280 O MOL D 94 24.404 18.529 23.692 0.00 0.00 DUM
|
|
ATOM 281 H MOL D 94 23.493 19.020 23.766 0.00 0.00 DUM
|
|
ATOM 282 H MOL D 94 24.230 17.516 23.758 0.00 0.00 DUM
|
|
ATOM 283 O MOL D 95 22.731 14.031 5.762 0.00 0.00 DUM
|
|
ATOM 284 H MOL D 95 23.723 13.807 5.852 0.00 0.00 DUM
|
|
ATOM 285 H MOL D 95 22.294 13.811 6.669 0.00 0.00 DUM
|
|
ATOM 286 O MOL D 96 17.116 6.475 21.667 0.00 0.00 DUM
|
|
ATOM 287 H MOL D 96 16.156 6.616 22.058 0.00 0.00 DUM
|
|
ATOM 288 H MOL D 96 17.664 6.435 22.497 0.00 0.00 DUM
|
|
ATOM 289 O MOL D 97 1.181 16.515 9.223 0.00 0.00 DUM
|
|
ATOM 290 H MOL D 97 1.908 17.190 9.320 0.00 0.00 DUM
|
|
ATOM 291 H MOL D 97 0.715 16.433 10.156 0.00 0.00 DUM
|
|
ATOM 292 O MOL D 98 9.670 10.106 11.712 0.00 0.00 DUM
|
|
ATOM 293 H MOL D 98 10.113 9.619 10.908 0.00 0.00 DUM
|
|
ATOM 294 H MOL D 98 10.172 9.684 12.536 0.00 0.00 DUM
|
|
ATOM 295 O MOL D 99 23.737 2.615 24.036 0.00 0.00 DUM
|
|
ATOM 296 H MOL D 99 23.777 1.575 24.124 0.00 0.00 DUM
|
|
ATOM 297 H MOL D 99 22.793 2.833 23.611 0.00 0.00 DUM
|
|
ATOM 298 O MOL D 100 24.265 2.543 0.646 0.00 0.00 DUM
|
|
ATOM 299 H MOL D 100 23.302 2.642 1.084 0.00 0.00 DUM
|
|
ATOM 300 H MOL D 100 24.136 2.515 -0.376 0.00 0.00 DUM
|
|
ATOM 301 O MOL D 101 3.331 11.696 10.459 0.00 0.00 DUM
|
|
ATOM 302 H MOL D 101 4.208 11.166 10.375 0.00 0.00 DUM
|
|
ATOM 303 H MOL D 101 2.773 11.196 11.149 0.00 0.00 DUM
|
|
ATOM 304 O MOL D 102 5.140 9.734 23.358 0.00 0.00 DUM
|
|
ATOM 305 H MOL D 102 5.863 9.473 24.031 0.00 0.00 DUM
|
|
ATOM 306 H MOL D 102 5.258 9.177 22.513 0.00 0.00 DUM
|
|
ATOM 307 O MOL D 103 20.060 18.617 9.565 0.00 0.00 DUM
|
|
ATOM 308 H MOL D 103 20.753 18.669 8.902 0.00 0.00 DUM
|
|
ATOM 309 H MOL D 103 19.488 19.404 9.409 0.00 0.00 DUM
|
|
ATOM 310 O MOL D 104 20.405 8.149 12.458 0.00 0.00 DUM
|
|
ATOM 311 H MOL D 104 20.148 7.203 12.627 0.00 0.00 DUM
|
|
ATOM 312 H MOL D 104 21.308 8.263 12.882 0.00 0.00 DUM
|
|
ATOM 313 O MOL D 105 22.704 10.223 20.168 0.00 0.00 DUM
|
|
ATOM 314 H MOL D 105 23.472 10.609 19.627 0.00 0.00 DUM
|
|
ATOM 315 H MOL D 105 23.177 9.401 20.627 0.00 0.00 DUM
|
|
ATOM 316 O MOL D 106 22.948 6.859 24.048 0.00 0.00 DUM
|
|
ATOM 317 H MOL D 106 23.479 7.666 24.242 0.00 0.00 DUM
|
|
ATOM 318 H MOL D 106 23.033 6.256 24.877 0.00 0.00 DUM
|
|
ATOM 319 O MOL D 107 7.276 9.430 25.228 0.00 0.00 DUM
|
|
ATOM 320 H MOL D 107 7.873 10.069 24.708 0.00 0.00 DUM
|
|
ATOM 321 H MOL D 107 7.866 8.617 25.400 0.00 0.00 DUM
|
|
ATOM 322 O MOL D 108 13.078 20.851 2.863 0.00 0.00 DUM
|
|
ATOM 323 H MOL D 108 13.848 20.360 3.298 0.00 0.00 DUM
|
|
ATOM 324 H MOL D 108 13.537 21.560 2.344 0.00 0.00 DUM
|
|
ATOM 325 O MOL D 109 1.561 7.296 2.442 0.00 0.00 DUM
|
|
ATOM 326 H MOL D 109 1.682 7.797 1.525 0.00 0.00 DUM
|
|
ATOM 327 H MOL D 109 2.138 6.465 2.327 0.00 0.00 DUM
|
|
ATOM 328 O MOL D 110 14.358 14.104 8.849 0.00 0.00 DUM
|
|
ATOM 329 H MOL D 110 13.873 14.903 9.295 0.00 0.00 DUM
|
|
ATOM 330 H MOL D 110 14.904 14.469 8.047 0.00 0.00 DUM
|
|
ATOM 331 O MOL D 111 17.442 24.538 22.556 0.00 0.00 DUM
|
|
ATOM 332 H MOL D 111 16.541 25.017 22.594 0.00 0.00 DUM
|
|
ATOM 333 H MOL D 111 17.797 24.373 23.517 0.00 0.00 DUM
|
|
ATOM 334 O MOL D 112 25.273 23.629 9.748 0.00 0.00 DUM
|
|
ATOM 335 H MOL D 112 25.791 24.122 9.031 0.00 0.00 DUM
|
|
ATOM 336 H MOL D 112 25.005 24.311 10.408 0.00 0.00 DUM
|
|
ATOM 337 O MOL D 113 25.621 6.009 8.106 0.00 0.00 DUM
|
|
ATOM 338 H MOL D 113 25.898 6.924 7.675 0.00 0.00 DUM
|
|
ATOM 339 H MOL D 113 24.632 5.825 8.054 0.00 0.00 DUM
|
|
ATOM 340 O MOL D 114 14.873 19.803 4.722 0.00 0.00 DUM
|
|
ATOM 341 H MOL D 114 14.769 20.621 5.366 0.00 0.00 DUM
|
|
ATOM 342 H MOL D 114 15.822 19.550 4.649 0.00 0.00 DUM
|
|
ATOM 343 O MOL D 115 16.216 19.523 1.504 0.00 0.00 DUM
|
|
ATOM 344 H MOL D 115 16.397 19.455 2.492 0.00 0.00 DUM
|
|
ATOM 345 H MOL D 115 16.112 20.518 1.266 0.00 0.00 DUM
|
|
ATOM 346 O MOL D 116 6.608 19.970 12.975 0.00 0.00 DUM
|
|
ATOM 347 H MOL D 116 6.654 20.149 13.907 0.00 0.00 DUM
|
|
ATOM 348 H MOL D 116 6.895 20.809 12.462 0.00 0.00 DUM
|
|
ATOM 349 O MOL D 117 12.477 1.055 12.511 0.00 0.00 DUM
|
|
ATOM 350 H MOL D 117 12.785 1.831 13.115 0.00 0.00 DUM
|
|
ATOM 351 H MOL D 117 12.905 1.174 11.627 0.00 0.00 DUM
|
|
ATOM 352 O MOL D 118 13.638 12.041 4.841 0.00 0.00 DUM
|
|
ATOM 353 H MOL D 118 14.093 11.637 4.046 0.00 0.00 DUM
|
|
ATOM 354 H MOL D 118 14.372 11.862 5.590 0.00 0.00 DUM
|
|
ATOM 355 O MOL D 119 8.392 12.412 10.115 0.00 0.00 DUM
|
|
ATOM 356 H MOL D 119 8.807 12.829 9.275 0.00 0.00 DUM
|
|
ATOM 357 H MOL D 119 8.803 11.573 10.385 0.00 0.00 DUM
|
|
ATOM 358 O MOL D 120 13.210 21.411 9.841 0.00 0.00 DUM
|
|
ATOM 359 H MOL D 120 12.476 21.818 9.290 0.00 0.00 DUM
|
|
ATOM 360 H MOL D 120 14.092 21.708 9.499 0.00 0.00 DUM
|
|
ATOM 361 O MOL D 121 8.047 3.456 12.686 0.00 0.00 DUM
|
|
ATOM 362 H MOL D 121 8.349 3.580 11.739 0.00 0.00 DUM
|
|
ATOM 363 H MOL D 121 7.316 2.792 12.552 0.00 0.00 DUM
|
|
ATOM 364 O MOL D 122 26.732 25.339 5.444 0.00 0.00 DUM
|
|
ATOM 365 H MOL D 122 26.428 25.542 6.416 0.00 0.00 DUM
|
|
ATOM 366 H MOL D 122 25.901 25.604 4.928 0.00 0.00 DUM
|
|
ATOM 367 O MOL D 123 1.282 14.855 15.144 0.00 0.00 DUM
|
|
ATOM 368 H MOL D 123 1.378 15.829 14.772 0.00 0.00 DUM
|
|
ATOM 369 H MOL D 123 2.085 14.345 14.821 0.00 0.00 DUM
|
|
ATOM 370 O MOL D 124 10.184 18.227 -0.385 0.00 0.00 DUM
|
|
ATOM 371 H MOL D 124 10.981 17.658 -0.828 0.00 0.00 DUM
|
|
ATOM 372 H MOL D 124 10.553 18.636 0.467 0.00 0.00 DUM
|
|
ATOM 373 O MOL D 125 20.594 24.920 20.477 0.00 0.00 DUM
|
|
ATOM 374 H MOL D 125 20.598 25.916 20.645 0.00 0.00 DUM
|
|
ATOM 375 H MOL D 125 19.634 24.607 20.398 0.00 0.00 DUM
|
|
ATOM 376 O MOL D 126 16.804 0.680 2.110 0.00 0.00 DUM
|
|
ATOM 377 H MOL D 126 17.422 1.310 2.554 0.00 0.00 DUM
|
|
ATOM 378 H MOL D 126 16.746 0.995 1.111 0.00 0.00 DUM
|
|
ATOM 379 O MOL D 127 12.533 11.710 10.619 0.00 0.00 DUM
|
|
ATOM 380 H MOL D 127 13.529 11.846 10.552 0.00 0.00 DUM
|
|
ATOM 381 H MOL D 127 12.251 11.954 11.579 0.00 0.00 DUM
|
|
ATOM 382 O MOL D 128 10.697 14.158 2.689 0.00 0.00 DUM
|
|
ATOM 383 H MOL D 128 11.384 13.911 3.425 0.00 0.00 DUM
|
|
ATOM 384 H MOL D 128 10.250 15.036 2.964 0.00 0.00 DUM
|
|
ATOM 385 O MOL D 129 14.584 6.628 22.547 0.00 0.00 DUM
|
|
ATOM 386 H MOL D 129 14.773 5.834 23.109 0.00 0.00 DUM
|
|
ATOM 387 H MOL D 129 14.065 7.239 23.164 0.00 0.00 DUM
|
|
ATOM 388 O MOL D 130 11.562 13.593 25.444 0.00 0.00 DUM
|
|
ATOM 389 H MOL D 130 11.781 13.290 24.499 0.00 0.00 DUM
|
|
ATOM 390 H MOL D 130 12.391 13.374 25.975 0.00 0.00 DUM
|
|
ATOM 391 O MOL D 131 0.016 17.177 6.472 0.00 0.00 DUM
|
|
ATOM 392 H MOL D 131 0.550 16.937 7.261 0.00 0.00 DUM
|
|
ATOM 393 H MOL D 131 0.644 17.120 5.638 0.00 0.00 DUM
|
|
ATOM 394 O MOL D 132 15.342 8.367 18.574 0.00 0.00 DUM
|
|
ATOM 395 H MOL D 132 14.582 7.872 18.982 0.00 0.00 DUM
|
|
ATOM 396 H MOL D 132 16.103 8.303 19.204 0.00 0.00 DUM
|
|
ATOM 397 O MOL D 133 1.327 25.752 15.901 0.00 0.00 DUM
|
|
ATOM 398 H MOL D 133 0.779 26.418 15.372 0.00 0.00 DUM
|
|
ATOM 399 H MOL D 133 1.696 25.029 15.244 0.00 0.00 DUM
|
|
ATOM 400 O MOL D 134 3.587 5.588 1.566 0.00 0.00 DUM
|
|
ATOM 401 H MOL D 134 4.266 6.293 1.522 0.00 0.00 DUM
|
|
ATOM 402 H MOL D 134 4.193 4.728 1.518 0.00 0.00 DUM
|
|
ATOM 403 O MOL D 135 13.466 18.779 14.679 0.00 0.00 DUM
|
|
ATOM 404 H MOL D 135 13.296 19.004 13.717 0.00 0.00 DUM
|
|
ATOM 405 H MOL D 135 13.318 19.651 15.183 0.00 0.00 DUM
|
|
ATOM 406 O MOL D 136 20.373 9.038 9.868 0.00 0.00 DUM
|
|
ATOM 407 H MOL D 136 19.601 9.515 9.423 0.00 0.00 DUM
|
|
ATOM 408 H MOL D 136 20.126 8.953 10.850 0.00 0.00 DUM
|
|
ATOM 409 O MOL D 137 1.926 1.273 18.096 0.00 0.00 DUM
|
|
ATOM 410 H MOL D 137 2.855 1.139 18.433 0.00 0.00 DUM
|
|
ATOM 411 H MOL D 137 1.819 0.671 17.302 0.00 0.00 DUM
|
|
ATOM 412 O MOL D 138 4.522 14.881 4.030 0.00 0.00 DUM
|
|
ATOM 413 H MOL D 138 4.849 15.316 3.179 0.00 0.00 DUM
|
|
ATOM 414 H MOL D 138 5.109 14.080 4.245 0.00 0.00 DUM
|
|
ATOM 415 O MOL D 139 25.374 13.469 10.833 0.00 0.00 DUM
|
|
ATOM 416 H MOL D 139 25.683 13.685 9.870 0.00 0.00 DUM
|
|
ATOM 417 H MOL D 139 24.366 13.350 10.886 0.00 0.00 DUM
|
|
ATOM 418 O MOL D 140 1.279 4.228 9.243 0.00 0.00 DUM
|
|
ATOM 419 H MOL D 140 0.695 4.849 8.692 0.00 0.00 DUM
|
|
ATOM 420 H MOL D 140 1.072 4.447 10.213 0.00 0.00 DUM
|
|
ATOM 421 O MOL D 141 16.656 20.096 8.416 0.00 0.00 DUM
|
|
ATOM 422 H MOL D 141 16.989 20.250 9.376 0.00 0.00 DUM
|
|
ATOM 423 H MOL D 141 16.465 21.020 7.995 0.00 0.00 DUM
|
|
ATOM 424 O MOL D 142 18.328 22.409 21.208 0.00 0.00 DUM
|
|
ATOM 425 H MOL D 142 17.623 22.371 20.499 0.00 0.00 DUM
|
|
ATOM 426 H MOL D 142 18.135 23.276 21.697 0.00 0.00 DUM
|
|
ATOM 427 O MOL D 143 6.973 2.411 8.981 0.00 0.00 DUM
|
|
ATOM 428 H MOL D 143 7.170 1.474 8.634 0.00 0.00 DUM
|
|
ATOM 429 H MOL D 143 6.877 2.934 8.166 0.00 0.00 DUM
|
|
ATOM 430 O MOL D 144 22.515 0.090 11.011 0.00 0.00 DUM
|
|
ATOM 431 H MOL D 144 21.692 -0.421 10.766 0.00 0.00 DUM
|
|
ATOM 432 H MOL D 144 22.784 0.702 10.260 0.00 0.00 DUM
|
|
ATOM 433 O MOL D 145 11.794 2.652 3.503 0.00 0.00 DUM
|
|
ATOM 434 H MOL D 145 11.373 2.303 4.385 0.00 0.00 DUM
|
|
ATOM 435 H MOL D 145 11.287 2.131 2.822 0.00 0.00 DUM
|
|
ATOM 436 O MOL D 146 3.617 23.012 25.652 0.00 0.00 DUM
|
|
ATOM 437 H MOL D 146 4.059 22.439 24.988 0.00 0.00 DUM
|
|
ATOM 438 H MOL D 146 4.144 23.864 25.699 0.00 0.00 DUM
|
|
ATOM 439 O MOL D 147 22.207 18.747 6.849 0.00 0.00 DUM
|
|
ATOM 440 H MOL D 147 22.097 19.571 6.284 0.00 0.00 DUM
|
|
ATOM 441 H MOL D 147 21.343 18.282 6.667 0.00 0.00 DUM
|
|
ATOM 442 O MOL D 148 12.137 7.504 16.151 0.00 0.00 DUM
|
|
ATOM 443 H MOL D 148 11.514 7.820 15.448 0.00 0.00 DUM
|
|
ATOM 444 H MOL D 148 12.718 8.270 16.408 0.00 0.00 DUM
|
|
ATOM 445 O MOL D 149 24.207 25.871 24.371 0.00 0.00 DUM
|
|
ATOM 446 H MOL D 149 23.804 25.055 24.691 0.00 0.00 DUM
|
|
ATOM 447 H MOL D 149 25.006 25.587 23.850 0.00 0.00 DUM
|
|
ATOM 448 O MOL D 150 0.584 1.867 2.365 0.00 0.00 DUM
|
|
ATOM 449 H MOL D 150 0.981 1.016 1.993 0.00 0.00 DUM
|
|
ATOM 450 H MOL D 150 0.038 2.269 1.615 0.00 0.00 DUM
|
|
ATOM 451 O MOL D 151 16.903 12.734 17.202 0.00 0.00 DUM
|
|
ATOM 452 H MOL D 151 17.567 13.476 17.041 0.00 0.00 DUM
|
|
ATOM 453 H MOL D 151 17.361 11.842 16.983 0.00 0.00 DUM
|
|
ATOM 454 O MOL D 152 14.457 8.215 10.949 0.00 0.00 DUM
|
|
ATOM 455 H MOL D 152 13.716 8.009 10.283 0.00 0.00 DUM
|
|
ATOM 456 H MOL D 152 15.081 7.495 10.682 0.00 0.00 DUM
|
|
ATOM 457 O MOL D 153 17.842 19.510 3.809 0.00 0.00 DUM
|
|
ATOM 458 H MOL D 153 18.229 19.734 4.717 0.00 0.00 DUM
|
|
ATOM 459 H MOL D 153 18.213 18.612 3.538 0.00 0.00 DUM
|
|
ATOM 460 O MOL D 154 5.240 11.647 13.330 0.00 0.00 DUM
|
|
ATOM 461 H MOL D 154 5.706 10.754 13.217 0.00 0.00 DUM
|
|
ATOM 462 H MOL D 154 5.676 12.184 12.570 0.00 0.00 DUM
|
|
ATOM 463 O MOL D 155 21.340 9.782 24.378 0.00 0.00 DUM
|
|
ATOM 464 H MOL D 155 22.295 9.738 24.614 0.00 0.00 DUM
|
|
ATOM 465 H MOL D 155 20.893 10.488 25.005 0.00 0.00 DUM
|
|
ATOM 466 O MOL D 156 20.631 0.747 24.832 0.00 0.00 DUM
|
|
ATOM 467 H MOL D 156 20.299 0.406 25.778 0.00 0.00 DUM
|
|
ATOM 468 H MOL D 156 20.946 -0.118 24.414 0.00 0.00 DUM
|
|
ATOM 469 O MOL D 157 9.372 15.735 8.722 0.00 0.00 DUM
|
|
ATOM 470 H MOL D 157 9.127 16.677 8.534 0.00 0.00 DUM
|
|
ATOM 471 H MOL D 157 10.364 15.663 8.616 0.00 0.00 DUM
|
|
ATOM 472 O MOL D 158 4.496 13.904 25.842 0.00 0.00 DUM
|
|
ATOM 473 H MOL D 158 3.590 13.530 25.752 0.00 0.00 DUM
|
|
ATOM 474 H MOL D 158 4.968 13.770 24.919 0.00 0.00 DUM
|
|
ATOM 475 O MOL D 159 2.252 23.941 14.067 0.00 0.00 DUM
|
|
ATOM 476 H MOL D 159 2.066 23.255 13.410 0.00 0.00 DUM
|
|
ATOM 477 H MOL D 159 2.903 23.547 14.757 0.00 0.00 DUM
|
|
ATOM 478 O MOL D 160 12.521 8.356 6.977 0.00 0.00 DUM
|
|
ATOM 479 H MOL D 160 12.139 7.653 7.603 0.00 0.00 DUM
|
|
ATOM 480 H MOL D 160 11.932 9.186 7.115 0.00 0.00 DUM
|
|
ATOM 481 O MOL D 161 8.440 5.622 3.195 0.00 0.00 DUM
|
|
ATOM 482 H MOL D 161 8.254 4.629 3.241 0.00 0.00 DUM
|
|
ATOM 483 H MOL D 161 7.651 6.126 3.568 0.00 0.00 DUM
|
|
ATOM 484 O MOL D 162 25.241 10.853 19.178 0.00 0.00 DUM
|
|
ATOM 485 H MOL D 162 25.588 11.772 19.355 0.00 0.00 DUM
|
|
ATOM 486 H MOL D 162 25.737 10.335 18.474 0.00 0.00 DUM
|
|
ATOM 487 O MOL D 163 10.628 16.441 4.116 0.00 0.00 DUM
|
|
ATOM 488 H MOL D 163 11.079 17.203 4.598 0.00 0.00 DUM
|
|
ATOM 489 H MOL D 163 11.076 15.555 4.453 0.00 0.00 DUM
|
|
ATOM 490 O MOL D 164 5.539 3.650 19.836 0.00 0.00 DUM
|
|
ATOM 491 H MOL D 164 5.538 4.664 19.489 0.00 0.00 DUM
|
|
ATOM 492 H MOL D 164 4.711 3.495 20.437 0.00 0.00 DUM
|
|
ATOM 493 O MOL D 165 9.705 1.975 21.864 0.00 0.00 DUM
|
|
ATOM 494 H MOL D 165 9.126 1.937 21.037 0.00 0.00 DUM
|
|
ATOM 495 H MOL D 165 9.709 2.979 22.127 0.00 0.00 DUM
|
|
ATOM 496 O MOL D 166 11.589 22.771 8.138 0.00 0.00 DUM
|
|
ATOM 497 H MOL D 166 11.127 22.022 7.642 0.00 0.00 DUM
|
|
ATOM 498 H MOL D 166 10.869 23.302 8.628 0.00 0.00 DUM
|
|
ATOM 499 O MOL D 167 3.376 10.463 4.775 0.00 0.00 DUM
|
|
ATOM 500 H MOL D 167 3.912 9.620 5.001 0.00 0.00 DUM
|
|
ATOM 501 H MOL D 167 3.724 11.180 5.409 0.00 0.00 DUM
|
|
ATOM 502 O MOL D 168 13.679 4.926 5.722 0.00 0.00 DUM
|
|
ATOM 503 H MOL D 168 14.328 5.730 5.676 0.00 0.00 DUM
|
|
ATOM 504 H MOL D 168 13.786 4.253 4.964 0.00 0.00 DUM
|
|
ATOM 505 O MOL D 169 2.789 8.303 17.260 0.00 0.00 DUM
|
|
ATOM 506 H MOL D 169 2.610 7.326 16.964 0.00 0.00 DUM
|
|
ATOM 507 H MOL D 169 1.853 8.791 17.305 0.00 0.00 DUM
|
|
ATOM 508 O MOL D 170 1.894 17.251 24.014 0.00 0.00 DUM
|
|
ATOM 509 H MOL D 170 1.194 17.789 23.560 0.00 0.00 DUM
|
|
ATOM 510 H MOL D 170 1.502 16.430 24.517 0.00 0.00 DUM
|
|
ATOM 511 O MOL D 171 16.952 4.511 7.433 0.00 0.00 DUM
|
|
ATOM 512 H MOL D 171 17.763 5.053 7.819 0.00 0.00 DUM
|
|
ATOM 513 H MOL D 171 16.452 5.094 6.771 0.00 0.00 DUM
|
|
ATOM 514 O MOL D 172 7.696 20.844 16.027 0.00 0.00 DUM
|
|
ATOM 515 H MOL D 172 8.546 21.236 15.643 0.00 0.00 DUM
|
|
ATOM 516 H MOL D 172 7.838 20.438 16.957 0.00 0.00 DUM
|
|
ATOM 517 O MOL D 173 14.995 2.353 21.355 0.00 0.00 DUM
|
|
ATOM 518 H MOL D 173 15.925 2.195 21.733 0.00 0.00 DUM
|
|
ATOM 519 H MOL D 173 15.144 2.214 20.338 0.00 0.00 DUM
|
|
ATOM 520 O MOL D 174 15.193 4.907 10.509 0.00 0.00 DUM
|
|
ATOM 521 H MOL D 174 15.118 4.062 9.973 0.00 0.00 DUM
|
|
ATOM 522 H MOL D 174 16.142 4.966 10.787 0.00 0.00 DUM
|
|
ATOM 523 O MOL D 175 6.357 7.145 3.683 0.00 0.00 DUM
|
|
ATOM 524 H MOL D 175 5.999 7.959 4.219 0.00 0.00 DUM
|
|
ATOM 525 H MOL D 175 5.877 6.230 3.981 0.00 0.00 DUM
|
|
ATOM 526 O MOL D 176 21.503 13.644 8.110 0.00 0.00 DUM
|
|
ATOM 527 H MOL D 176 20.522 13.860 8.352 0.00 0.00 DUM
|
|
ATOM 528 H MOL D 176 22.077 14.066 8.841 0.00 0.00 DUM
|
|
ATOM 529 O MOL D 177 21.156 5.141 20.193 0.00 0.00 DUM
|
|
ATOM 530 H MOL D 177 22.074 5.209 20.567 0.00 0.00 DUM
|
|
ATOM 531 H MOL D 177 21.174 4.565 19.360 0.00 0.00 DUM
|
|
ATOM 532 O MOL D 178 16.118 10.971 5.793 0.00 0.00 DUM
|
|
ATOM 533 H MOL D 178 17.047 11.168 6.138 0.00 0.00 DUM
|
|
ATOM 534 H MOL D 178 15.840 10.201 6.378 0.00 0.00 DUM
|
|
ATOM 535 O MOL D 179 18.655 6.493 3.443 0.00 0.00 DUM
|
|
ATOM 536 H MOL D 179 19.026 6.119 4.281 0.00 0.00 DUM
|
|
ATOM 537 H MOL D 179 18.171 5.779 2.927 0.00 0.00 DUM
|
|
ATOM 538 O MOL D 180 13.538 16.626 5.872 0.00 0.00 DUM
|
|
ATOM 539 H MOL D 180 14.533 16.819 5.612 0.00 0.00 DUM
|
|
ATOM 540 H MOL D 180 12.967 17.464 5.840 0.00 0.00 DUM
|
|
ATOM 541 O MOL D 181 6.738 6.740 11.378 0.00 0.00 DUM
|
|
ATOM 542 H MOL D 181 6.587 6.073 10.660 0.00 0.00 DUM
|
|
ATOM 543 H MOL D 181 7.757 6.752 11.527 0.00 0.00 DUM
|
|
ATOM 544 O MOL D 182 16.246 25.796 4.800 0.00 0.00 DUM
|
|
ATOM 545 H MOL D 182 16.280 26.009 3.842 0.00 0.00 DUM
|
|
ATOM 546 H MOL D 182 16.621 26.538 5.364 0.00 0.00 DUM
|
|
ATOM 547 O MOL D 183 13.167 19.356 11.821 0.00 0.00 DUM
|
|
ATOM 548 H MOL D 183 13.291 20.239 11.295 0.00 0.00 DUM
|
|
ATOM 549 H MOL D 183 12.156 19.161 11.886 0.00 0.00 DUM
|
|
ATOM 550 O MOL D 184 13.035 7.738 13.266 0.00 0.00 DUM
|
|
ATOM 551 H MOL D 184 13.129 6.776 13.455 0.00 0.00 DUM
|
|
ATOM 552 H MOL D 184 13.553 7.903 12.438 0.00 0.00 DUM
|
|
ATOM 553 O MOL D 185 24.945 25.544 11.961 0.00 0.00 DUM
|
|
ATOM 554 H MOL D 185 24.700 25.983 12.802 0.00 0.00 DUM
|
|
ATOM 555 H MOL D 185 23.995 25.629 11.434 0.00 0.00 DUM
|
|
ATOM 556 O MOL D 186 0.462 25.503 8.047 0.00 0.00 DUM
|
|
ATOM 557 H MOL D 186 1.105 25.502 8.852 0.00 0.00 DUM
|
|
ATOM 558 H MOL D 186 0.167 26.461 7.934 0.00 0.00 DUM
|
|
ATOM 559 O MOL D 187 3.411 24.214 7.007 0.00 0.00 DUM
|
|
ATOM 560 H MOL D 187 3.698 24.551 6.098 0.00 0.00 DUM
|
|
ATOM 561 H MOL D 187 2.662 24.846 7.324 0.00 0.00 DUM
|
|
ATOM 562 O MOL D 188 9.190 18.339 17.618 0.00 0.00 DUM
|
|
ATOM 563 H MOL D 188 9.159 17.871 16.683 0.00 0.00 DUM
|
|
ATOM 564 H MOL D 188 9.627 19.219 17.485 0.00 0.00 DUM
|
|
ATOM 565 O MOL D 189 16.585 12.203 23.458 0.00 0.00 DUM
|
|
ATOM 566 H MOL D 189 16.874 11.661 22.648 0.00 0.00 DUM
|
|
ATOM 567 H MOL D 189 16.553 11.581 24.203 0.00 0.00 DUM
|
|
ATOM 568 O MOL D 190 6.748 22.615 11.441 0.00 0.00 DUM
|
|
ATOM 569 H MOL D 190 7.277 23.336 11.955 0.00 0.00 DUM
|
|
ATOM 570 H MOL D 190 6.071 22.955 10.825 0.00 0.00 DUM
|
|
ATOM 571 O MOL D 191 24.597 18.436 14.308 0.00 0.00 DUM
|
|
ATOM 572 H MOL D 191 24.015 17.992 13.653 0.00 0.00 DUM
|
|
ATOM 573 H MOL D 191 24.993 19.241 13.796 0.00 0.00 DUM
|
|
ATOM 574 O MOL D 192 8.759 13.850 20.292 0.00 0.00 DUM
|
|
ATOM 575 H MOL D 192 8.770 13.108 19.560 0.00 0.00 DUM
|
|
ATOM 576 H MOL D 192 9.047 14.717 19.880 0.00 0.00 DUM
|
|
ATOM 577 O MOL D 193 22.351 24.873 7.745 0.00 0.00 DUM
|
|
ATOM 578 H MOL D 193 22.021 24.680 6.855 0.00 0.00 DUM
|
|
ATOM 579 H MOL D 193 22.447 23.963 8.240 0.00 0.00 DUM
|
|
ATOM 580 O MOL D 194 13.634 6.642 2.412 0.00 0.00 DUM
|
|
ATOM 581 H MOL D 194 13.626 7.476 2.975 0.00 0.00 DUM
|
|
ATOM 582 H MOL D 194 12.833 6.062 2.725 0.00 0.00 DUM
|
|
ATOM 583 O MOL D 195 8.251 24.790 25.655 0.00 0.00 DUM
|
|
ATOM 584 H MOL D 195 8.550 25.732 25.625 0.00 0.00 DUM
|
|
ATOM 585 H MOL D 195 9.036 24.150 25.767 0.00 0.00 DUM
|
|
ATOM 586 O MOL D 196 8.637 4.209 15.226 0.00 0.00 DUM
|
|
ATOM 587 H MOL D 196 8.467 3.860 14.303 0.00 0.00 DUM
|
|
ATOM 588 H MOL D 196 7.877 4.884 15.363 0.00 0.00 DUM
|
|
ATOM 589 O MOL D 197 22.757 12.520 25.992 0.00 0.00 DUM
|
|
ATOM 590 H MOL D 197 23.464 12.397 25.295 0.00 0.00 DUM
|
|
ATOM 591 H MOL D 197 22.821 13.454 26.443 0.00 0.00 DUM
|
|
ATOM 592 O MOL D 198 20.281 4.242 4.569 0.00 0.00 DUM
|
|
ATOM 593 H MOL D 198 21.124 4.375 5.118 0.00 0.00 DUM
|
|
ATOM 594 H MOL D 198 19.851 3.382 4.987 0.00 0.00 DUM
|
|
ATOM 595 O MOL D 199 20.829 5.141 26.721 0.00 0.00 DUM
|
|
ATOM 596 H MOL D 199 20.728 6.085 27.148 0.00 0.00 DUM
|
|
ATOM 597 H MOL D 199 20.205 5.095 25.948 0.00 0.00 DUM
|
|
ATOM 598 O MOL D 200 17.356 1.647 25.745 0.00 0.00 DUM
|
|
ATOM 599 H MOL D 200 18.274 1.987 25.591 0.00 0.00 DUM
|
|
ATOM 600 H MOL D 200 16.807 2.475 25.695 0.00 0.00 DUM
|
|
ATOM 601 O MOL D 201 7.635 24.934 12.322 0.00 0.00 DUM
|
|
ATOM 602 H MOL D 201 6.841 25.540 12.174 0.00 0.00 DUM
|
|
ATOM 603 H MOL D 201 8.396 25.527 12.575 0.00 0.00 DUM
|
|
ATOM 604 O MOL D 202 20.304 21.599 1.427 0.00 0.00 DUM
|
|
ATOM 605 H MOL D 202 20.178 21.798 2.440 0.00 0.00 DUM
|
|
ATOM 606 H MOL D 202 19.665 20.927 1.121 0.00 0.00 DUM
|
|
ATOM 607 O MOL D 203 5.193 25.003 0.556 0.00 0.00 DUM
|
|
ATOM 608 H MOL D 203 5.386 25.540 1.438 0.00 0.00 DUM
|
|
ATOM 609 H MOL D 203 6.078 24.576 0.326 0.00 0.00 DUM
|
|
ATOM 610 O MOL D 204 14.378 2.567 14.211 0.00 0.00 DUM
|
|
ATOM 611 H MOL D 204 14.430 1.965 15.047 0.00 0.00 DUM
|
|
ATOM 612 H MOL D 204 15.306 2.600 13.718 0.00 0.00 DUM
|
|
ATOM 613 O MOL D 205 3.763 5.881 23.772 0.00 0.00 DUM
|
|
ATOM 614 H MOL D 205 3.218 5.057 23.663 0.00 0.00 DUM
|
|
ATOM 615 H MOL D 205 4.703 5.563 23.799 0.00 0.00 DUM
|
|
ATOM 616 O MOL D 206 20.816 12.198 11.606 0.00 0.00 DUM
|
|
ATOM 617 H MOL D 206 20.391 11.779 12.437 0.00 0.00 DUM
|
|
ATOM 618 H MOL D 206 20.151 12.349 10.896 0.00 0.00 DUM
|
|
ATOM 619 O MOL D 207 17.769 8.038 6.869 0.00 0.00 DUM
|
|
ATOM 620 H MOL D 207 18.263 7.421 7.549 0.00 0.00 DUM
|
|
ATOM 621 H MOL D 207 17.045 8.553 7.349 0.00 0.00 DUM
|
|
ATOM 622 O MOL D 208 25.129 11.102 15.077 0.00 0.00 DUM
|
|
ATOM 623 H MOL D 208 25.523 10.675 15.881 0.00 0.00 DUM
|
|
ATOM 624 H MOL D 208 24.957 12.078 15.218 0.00 0.00 DUM
|
|
ATOM 625 O MOL D 209 5.400 4.707 4.706 0.00 0.00 DUM
|
|
ATOM 626 H MOL D 209 5.690 3.722 4.861 0.00 0.00 DUM
|
|
ATOM 627 H MOL D 209 5.271 5.046 5.644 0.00 0.00 DUM
|
|
ATOM 628 O MOL D 210 13.860 24.728 19.089 0.00 0.00 DUM
|
|
ATOM 629 H MOL D 210 14.117 25.603 18.601 0.00 0.00 DUM
|
|
ATOM 630 H MOL D 210 12.835 24.819 19.271 0.00 0.00 DUM
|
|
ATOM 631 O MOL D 211 4.549 15.742 9.034 0.00 0.00 DUM
|
|
ATOM 632 H MOL D 211 3.920 15.889 8.221 0.00 0.00 DUM
|
|
ATOM 633 H MOL D 211 5.065 14.941 8.842 0.00 0.00 DUM
|
|
ATOM 634 O MOL D 212 26.243 4.919 19.765 0.00 0.00 DUM
|
|
ATOM 635 H MOL D 212 25.967 4.309 20.613 0.00 0.00 DUM
|
|
ATOM 636 H MOL D 212 26.936 5.593 20.153 0.00 0.00 DUM
|
|
ATOM 637 O MOL D 213 17.902 9.878 9.281 0.00 0.00 DUM
|
|
ATOM 638 H MOL D 213 17.769 10.347 8.354 0.00 0.00 DUM
|
|
ATOM 639 H MOL D 213 17.310 10.280 9.951 0.00 0.00 DUM
|
|
ATOM 640 O MOL D 214 13.372 9.839 22.117 0.00 0.00 DUM
|
|
ATOM 641 H MOL D 214 14.351 9.796 22.011 0.00 0.00 DUM
|
|
ATOM 642 H MOL D 214 13.049 10.286 21.309 0.00 0.00 DUM
|
|
ATOM 643 O MOL D 215 16.572 4.122 26.099 0.00 0.00 DUM
|
|
ATOM 644 H MOL D 215 16.548 4.553 27.024 0.00 0.00 DUM
|
|
ATOM 645 H MOL D 215 15.772 4.516 25.634 0.00 0.00 DUM
|
|
ATOM 646 O MOL D 216 4.279 9.913 2.124 0.00 0.00 DUM
|
|
ATOM 647 H MOL D 216 3.818 10.258 2.981 0.00 0.00 DUM
|
|
ATOM 648 H MOL D 216 5.282 10.017 2.212 0.00 0.00 DUM
|
|
ATOM 649 O MOL D 217 14.028 5.186 15.892 0.00 0.00 DUM
|
|
ATOM 650 H MOL D 217 13.165 4.608 15.979 0.00 0.00 DUM
|
|
ATOM 651 H MOL D 217 13.684 6.111 16.025 0.00 0.00 DUM
|
|
ATOM 652 O MOL D 218 4.070 18.224 2.479 0.00 0.00 DUM
|
|
ATOM 653 H MOL D 218 4.635 17.440 2.277 0.00 0.00 DUM
|
|
ATOM 654 H MOL D 218 4.035 18.678 1.546 0.00 0.00 DUM
|
|
ATOM 655 O MOL D 219 22.690 15.504 9.813 0.00 0.00 DUM
|
|
ATOM 656 H MOL D 219 21.907 15.866 10.273 0.00 0.00 DUM
|
|
ATOM 657 H MOL D 219 23.116 16.197 9.243 0.00 0.00 DUM
|
|
ATOM 658 O MOL D 220 3.408 16.718 6.712 0.00 0.00 DUM
|
|
ATOM 659 H MOL D 220 3.658 17.647 6.860 0.00 0.00 DUM
|
|
ATOM 660 H MOL D 220 3.315 16.578 5.687 0.00 0.00 DUM
|
|
ATOM 661 O MOL D 221 3.325 7.441 6.956 0.00 0.00 DUM
|
|
ATOM 662 H MOL D 221 2.793 7.327 7.848 0.00 0.00 DUM
|
|
ATOM 663 H MOL D 221 2.647 7.690 6.193 0.00 0.00 DUM
|
|
ATOM 664 O MOL D 222 4.413 19.524 7.165 0.00 0.00 DUM
|
|
ATOM 665 H MOL D 222 4.023 20.459 7.029 0.00 0.00 DUM
|
|
ATOM 666 H MOL D 222 5.144 19.422 6.483 0.00 0.00 DUM
|
|
ATOM 667 O MOL D 223 17.884 16.250 24.718 0.00 0.00 DUM
|
|
ATOM 668 H MOL D 223 18.226 15.317 24.444 0.00 0.00 DUM
|
|
ATOM 669 H MOL D 223 17.144 16.496 24.095 0.00 0.00 DUM
|
|
ATOM 670 O MOL D 224 1.796 12.469 1.034 0.00 0.00 DUM
|
|
ATOM 671 H MOL D 224 2.021 12.670 2.022 0.00 0.00 DUM
|
|
ATOM 672 H MOL D 224 2.266 11.615 0.763 0.00 0.00 DUM
|
|
ATOM 673 O MOL D 225 23.383 21.695 10.803 0.00 0.00 DUM
|
|
ATOM 674 H MOL D 225 23.938 21.254 11.562 0.00 0.00 DUM
|
|
ATOM 675 H MOL D 225 24.109 22.256 10.381 0.00 0.00 DUM
|
|
ATOM 676 O MOL D 226 22.025 24.286 24.196 0.00 0.00 DUM
|
|
ATOM 677 H MOL D 226 21.855 23.862 23.292 0.00 0.00 DUM
|
|
ATOM 678 H MOL D 226 22.105 23.467 24.811 0.00 0.00 DUM
|
|
ATOM 679 O MOL D 227 20.023 1.459 5.215 0.00 0.00 DUM
|
|
ATOM 680 H MOL D 227 19.880 0.824 5.990 0.00 0.00 DUM
|
|
ATOM 681 H MOL D 227 21.064 1.537 5.095 0.00 0.00 DUM
|
|
ATOM 682 O MOL D 228 9.095 7.286 0.882 0.00 0.00 DUM
|
|
ATOM 683 H MOL D 228 8.644 6.662 1.537 0.00 0.00 DUM
|
|
ATOM 684 H MOL D 228 9.511 8.042 1.398 0.00 0.00 DUM
|
|
ATOM 685 O MOL D 229 14.947 16.456 12.968 0.00 0.00 DUM
|
|
ATOM 686 H MOL D 229 14.086 16.777 13.462 0.00 0.00 DUM
|
|
ATOM 687 H MOL D 229 15.676 17.064 13.185 0.00 0.00 DUM
|
|
ATOM 688 O MOL D 230 23.743 15.792 24.154 0.00 0.00 DUM
|
|
ATOM 689 H MOL D 230 23.002 15.240 23.726 0.00 0.00 DUM
|
|
ATOM 690 H MOL D 230 23.752 15.564 25.163 0.00 0.00 DUM
|
|
ATOM 691 O MOL D 231 0.526 1.915 12.022 0.00 0.00 DUM
|
|
ATOM 692 H MOL D 231 0.259 0.927 11.787 0.00 0.00 DUM
|
|
ATOM 693 H MOL D 231 0.152 2.542 11.310 0.00 0.00 DUM
|
|
ATOM 694 O MOL D 232 19.166 9.836 22.068 0.00 0.00 DUM
|
|
ATOM 695 H MOL D 232 19.670 10.248 21.296 0.00 0.00 DUM
|
|
ATOM 696 H MOL D 232 19.801 9.829 22.838 0.00 0.00 DUM
|
|
ATOM 697 O MOL D 233 25.820 4.749 11.337 0.00 0.00 DUM
|
|
ATOM 698 H MOL D 233 26.319 5.142 12.096 0.00 0.00 DUM
|
|
ATOM 699 H MOL D 233 24.855 4.846 11.510 0.00 0.00 DUM
|
|
ATOM 700 O MOL D 234 17.935 13.923 11.529 0.00 0.00 DUM
|
|
ATOM 701 H MOL D 234 18.068 14.861 11.931 0.00 0.00 DUM
|
|
ATOM 702 H MOL D 234 17.082 13.467 11.905 0.00 0.00 DUM
|
|
ATOM 703 O MOL D 235 16.362 5.362 14.213 0.00 0.00 DUM
|
|
ATOM 704 H MOL D 235 16.336 6.390 14.316 0.00 0.00 DUM
|
|
ATOM 705 H MOL D 235 15.583 5.039 14.785 0.00 0.00 DUM
|
|
ATOM 706 O MOL D 236 11.361 4.135 15.670 0.00 0.00 DUM
|
|
ATOM 707 H MOL D 236 10.454 4.490 15.396 0.00 0.00 DUM
|
|
ATOM 708 H MOL D 236 11.668 3.579 14.859 0.00 0.00 DUM
|
|
ATOM 709 O MOL D 237 18.959 4.070 24.592 0.00 0.00 DUM
|
|
ATOM 710 H MOL D 237 19.409 4.737 24.007 0.00 0.00 DUM
|
|
ATOM 711 H MOL D 237 18.160 4.534 24.973 0.00 0.00 DUM
|
|
ATOM 712 O MOL D 238 6.375 13.339 11.635 0.00 0.00 DUM
|
|
ATOM 713 H MOL D 238 6.286 14.346 11.590 0.00 0.00 DUM
|
|
ATOM 714 H MOL D 238 7.194 13.097 11.100 0.00 0.00 DUM
|
|
ATOM 715 O MOL D 239 10.119 20.552 6.703 0.00 0.00 DUM
|
|
ATOM 716 H MOL D 239 9.268 20.718 6.141 0.00 0.00 DUM
|
|
ATOM 717 H MOL D 239 9.865 20.176 7.616 0.00 0.00 DUM
|
|
ATOM 718 O MOL D 240 12.712 6.630 9.494 0.00 0.00 DUM
|
|
ATOM 719 H MOL D 240 13.095 5.891 8.910 0.00 0.00 DUM
|
|
ATOM 720 H MOL D 240 11.985 6.275 10.098 0.00 0.00 DUM
|
|
ATOM 721 O MOL D 241 18.572 20.346 25.645 0.00 0.00 DUM
|
|
ATOM 722 H MOL D 241 17.853 19.717 25.962 0.00 0.00 DUM
|
|
ATOM 723 H MOL D 241 19.080 19.968 24.852 0.00 0.00 DUM
|
|
ATOM 724 O MOL D 242 20.658 0.628 16.003 0.00 0.00 DUM
|
|
ATOM 725 H MOL D 242 19.737 0.993 16.232 0.00 0.00 DUM
|
|
ATOM 726 H MOL D 242 21.400 0.956 16.651 0.00 0.00 DUM
|
|
ATOM 727 O MOL D 243 26.143 7.512 12.474 0.00 0.00 DUM
|
|
ATOM 728 H MOL D 243 27.175 7.634 12.452 0.00 0.00 DUM
|
|
ATOM 729 H MOL D 243 25.693 7.697 11.546 0.00 0.00 DUM
|
|
ATOM 730 O MOL D 244 10.842 18.552 9.413 0.00 0.00 DUM
|
|
ATOM 731 H MOL D 244 9.884 18.248 9.326 0.00 0.00 DUM
|
|
ATOM 732 H MOL D 244 11.472 17.837 9.012 0.00 0.00 DUM
|
|
ATOM 733 O MOL D 245 25.018 13.797 15.599 0.00 0.00 DUM
|
|
ATOM 734 H MOL D 245 25.898 14.204 15.316 0.00 0.00 DUM
|
|
ATOM 735 H MOL D 245 24.810 14.031 16.562 0.00 0.00 DUM
|
|
ATOM 736 O MOL D 246 21.689 4.517 16.403 0.00 0.00 DUM
|
|
ATOM 737 H MOL D 246 20.909 4.310 15.768 0.00 0.00 DUM
|
|
ATOM 738 H MOL D 246 22.511 4.354 15.870 0.00 0.00 DUM
|
|
ATOM 739 O MOL D 247 22.982 25.279 19.151 0.00 0.00 DUM
|
|
ATOM 740 H MOL D 247 23.453 24.627 19.743 0.00 0.00 DUM
|
|
ATOM 741 H MOL D 247 22.017 25.212 19.503 0.00 0.00 DUM
|
|
ATOM 742 O MOL D 248 10.608 6.518 20.565 0.00 0.00 DUM
|
|
ATOM 743 H MOL D 248 10.617 6.261 19.561 0.00 0.00 DUM
|
|
ATOM 744 H MOL D 248 9.804 7.162 20.572 0.00 0.00 DUM
|
|
ATOM 745 O MOL D 249 11.981 24.202 22.750 0.00 0.00 DUM
|
|
ATOM 746 H MOL D 249 12.043 25.046 22.180 0.00 0.00 DUM
|
|
ATOM 747 H MOL D 249 12.348 23.369 22.274 0.00 0.00 DUM
|
|
ATOM 748 O MOL D 250 15.003 22.218 6.050 0.00 0.00 DUM
|
|
ATOM 749 H MOL D 250 15.825 22.708 6.533 0.00 0.00 DUM
|
|
ATOM 750 H MOL D 250 14.105 22.724 6.125 0.00 0.00 DUM
|
|
ATOM 751 O MOL D 251 26.297 20.568 23.133 0.00 0.00 DUM
|
|
ATOM 752 H MOL D 251 25.891 20.730 22.197 0.00 0.00 DUM
|
|
ATOM 753 H MOL D 251 25.870 19.705 23.456 0.00 0.00 DUM
|
|
ATOM 754 O MOL D 252 18.760 11.415 6.854 0.00 0.00 DUM
|
|
ATOM 755 H MOL D 252 19.004 12.224 7.465 0.00 0.00 DUM
|
|
ATOM 756 H MOL D 252 19.535 10.965 6.504 0.00 0.00 DUM
|
|
ATOM 757 O MOL D 253 18.551 21.061 10.029 0.00 0.00 DUM
|
|
ATOM 758 H MOL D 253 18.609 21.823 9.348 0.00 0.00 DUM
|
|
ATOM 759 H MOL D 253 19.294 21.171 10.774 0.00 0.00 DUM
|
|
ATOM 760 O MOL D 254 22.454 7.292 16.574 0.00 0.00 DUM
|
|
ATOM 761 H MOL D 254 22.220 6.294 16.404 0.00 0.00 DUM
|
|
ATOM 762 H MOL D 254 23.141 7.325 17.263 0.00 0.00 DUM
|
|
ATOM 763 O MOL D 255 17.897 -0.499 20.076 0.00 0.00 DUM
|
|
ATOM 764 H MOL D 255 18.121 0.477 19.958 0.00 0.00 DUM
|
|
ATOM 765 H MOL D 255 17.465 -0.672 20.986 0.00 0.00 DUM
|
|
ATOM 766 O MOL D 256 5.198 26.504 3.105 0.00 0.00 DUM
|
|
ATOM 767 H MOL D 256 4.595 25.769 3.472 0.00 0.00 DUM
|
|
ATOM 768 H MOL D 256 4.586 27.287 2.927 0.00 0.00 DUM
|
|
ATOM 769 O MOL D 257 15.819 24.270 11.785 0.00 0.00 DUM
|
|
ATOM 770 H MOL D 257 15.115 24.216 12.463 0.00 0.00 DUM
|
|
ATOM 771 H MOL D 257 16.215 25.204 11.819 0.00 0.00 DUM
|
|
ATOM 772 O MOL D 258 4.211 1.161 25.064 0.00 0.00 DUM
|
|
ATOM 773 H MOL D 258 4.968 1.853 24.807 0.00 0.00 DUM
|
|
ATOM 774 H MOL D 258 4.690 0.442 25.579 0.00 0.00 DUM
|
|
ATOM 775 O MOL D 259 12.645 4.253 8.017 0.00 0.00 DUM
|
|
ATOM 776 H MOL D 259 12.927 4.505 7.061 0.00 0.00 DUM
|
|
ATOM 777 H MOL D 259 13.074 3.431 8.344 0.00 0.00 DUM
|
|
ATOM 778 O MOL D 260 23.100 11.662 10.458 0.00 0.00 DUM
|
|
ATOM 779 H MOL D 260 22.917 11.294 9.542 0.00 0.00 DUM
|
|
ATOM 780 H MOL D 260 22.211 11.847 10.881 0.00 0.00 DUM
|
|
ATOM 781 O MOL D 261 22.053 1.470 13.794 0.00 0.00 DUM
|
|
ATOM 782 H MOL D 261 22.116 0.824 13.048 0.00 0.00 DUM
|
|
ATOM 783 H MOL D 261 21.397 1.084 14.466 0.00 0.00 DUM
|
|
ATOM 784 O MOL D 262 25.968 9.026 16.855 0.00 0.00 DUM
|
|
ATOM 785 H MOL D 262 25.318 8.722 17.531 0.00 0.00 DUM
|
|
ATOM 786 H MOL D 262 25.851 8.544 15.977 0.00 0.00 DUM
|
|
ATOM 787 O MOL D 263 14.872 15.185 2.615 0.00 0.00 DUM
|
|
ATOM 788 H MOL D 263 15.254 15.696 1.852 0.00 0.00 DUM
|
|
ATOM 789 H MOL D 263 14.336 14.427 2.189 0.00 0.00 DUM
|
|
ATOM 790 O MOL D 264 18.739 3.852 15.745 0.00 0.00 DUM
|
|
ATOM 791 H MOL D 264 18.780 3.077 16.452 0.00 0.00 DUM
|
|
ATOM 792 H MOL D 264 17.779 4.211 15.566 0.00 0.00 DUM
|
|
ATOM 793 O MOL D 265 14.118 6.785 -0.502 0.00 0.00 DUM
|
|
ATOM 794 H MOL D 265 14.231 7.814 -0.543 0.00 0.00 DUM
|
|
ATOM 795 H MOL D 265 13.895 6.539 0.488 0.00 0.00 DUM
|
|
ATOM 796 O MOL D 266 16.862 1.707 7.061 0.00 0.00 DUM
|
|
ATOM 797 H MOL D 266 16.028 1.689 7.647 0.00 0.00 DUM
|
|
ATOM 798 H MOL D 266 17.014 2.719 7.128 0.00 0.00 DUM
|
|
ATOM 799 O MOL D 267 0.318 9.114 22.894 0.00 0.00 DUM
|
|
ATOM 800 H MOL D 267 0.858 8.538 23.537 0.00 0.00 DUM
|
|
ATOM 801 H MOL D 267 0.860 9.962 22.678 0.00 0.00 DUM
|
|
ATOM 802 O MOL D 268 16.320 22.372 1.481 0.00 0.00 DUM
|
|
ATOM 803 H MOL D 268 16.607 22.756 2.400 0.00 0.00 DUM
|
|
ATOM 804 H MOL D 268 17.098 22.465 0.794 0.00 0.00 DUM
|
|
ATOM 805 O MOL D 269 4.938 22.488 2.732 0.00 0.00 DUM
|
|
ATOM 806 H MOL D 269 5.878 22.837 2.590 0.00 0.00 DUM
|
|
ATOM 807 H MOL D 269 4.437 23.236 3.200 0.00 0.00 DUM
|
|
ATOM 808 O MOL D 270 21.785 2.793 1.367 0.00 0.00 DUM
|
|
ATOM 809 H MOL D 270 21.165 2.032 1.563 0.00 0.00 DUM
|
|
ATOM 810 H MOL D 270 21.178 3.572 1.169 0.00 0.00 DUM
|
|
ATOM 811 O MOL D 271 5.952 15.954 11.532 0.00 0.00 DUM
|
|
ATOM 812 H MOL D 271 5.494 16.047 10.641 0.00 0.00 DUM
|
|
ATOM 813 H MOL D 271 5.270 15.965 12.276 0.00 0.00 DUM
|
|
ATOM 814 O MOL D 272 17.947 7.049 10.761 0.00 0.00 DUM
|
|
ATOM 815 H MOL D 272 17.822 8.017 10.582 0.00 0.00 DUM
|
|
ATOM 816 H MOL D 272 18.491 6.854 11.606 0.00 0.00 DUM
|
|
ATOM 817 O MOL D 273 8.732 13.666 23.072 0.00 0.00 DUM
|
|
ATOM 818 H MOL D 273 9.530 14.203 23.339 0.00 0.00 DUM
|
|
ATOM 819 H MOL D 273 8.725 13.765 22.129 0.00 0.00 DUM
|
|
ATOM 820 O MOL D 274 3.619 18.361 9.483 0.00 0.00 DUM
|
|
ATOM 821 H MOL D 274 4.144 17.515 9.303 0.00 0.00 DUM
|
|
ATOM 822 H MOL D 274 3.519 18.925 8.650 0.00 0.00 DUM
|
|
ATOM 823 O MOL D 275 12.111 17.165 24.017 0.00 0.00 DUM
|
|
ATOM 824 H MOL D 275 12.484 16.355 24.473 0.00 0.00 DUM
|
|
ATOM 825 H MOL D 275 11.657 16.977 23.162 0.00 0.00 DUM
|
|
ATOM 826 O MOL D 276 11.915 18.786 5.633 0.00 0.00 DUM
|
|
ATOM 827 H MOL D 276 12.687 19.324 5.215 0.00 0.00 DUM
|
|
ATOM 828 H MOL D 276 11.313 19.445 6.110 0.00 0.00 DUM
|
|
ATOM 829 O MOL D 277 12.856 9.464 3.095 0.00 0.00 DUM
|
|
ATOM 830 H MOL D 277 12.414 8.970 3.875 0.00 0.00 DUM
|
|
ATOM 831 H MOL D 277 12.237 9.331 2.331 0.00 0.00 DUM
|
|
ATOM 832 O MOL D 278 17.463 9.093 16.726 0.00 0.00 DUM
|
|
ATOM 833 H MOL D 278 18.408 9.185 16.997 0.00 0.00 DUM
|
|
ATOM 834 H MOL D 278 16.914 8.720 17.560 0.00 0.00 DUM
|
|
ATOM 835 O MOL D 279 20.915 21.478 11.614 0.00 0.00 DUM
|
|
ATOM 836 H MOL D 279 21.890 21.573 11.298 0.00 0.00 DUM
|
|
ATOM 837 H MOL D 279 20.805 20.521 11.903 0.00 0.00 DUM
|
|
ATOM 838 O MOL D 280 1.397 13.680 22.869 0.00 0.00 DUM
|
|
ATOM 839 H MOL D 280 1.895 12.807 22.632 0.00 0.00 DUM
|
|
ATOM 840 H MOL D 280 0.507 13.703 22.394 0.00 0.00 DUM
|
|
ATOM 841 O MOL D 281 11.216 25.261 19.087 0.00 0.00 DUM
|
|
ATOM 842 H MOL D 281 10.588 25.812 18.536 0.00 0.00 DUM
|
|
ATOM 843 H MOL D 281 11.526 25.839 19.841 0.00 0.00 DUM
|
|
ATOM 844 O MOL D 282 7.988 14.189 3.873 0.00 0.00 DUM
|
|
ATOM 845 H MOL D 282 8.210 14.821 3.171 0.00 0.00 DUM
|
|
ATOM 846 H MOL D 282 7.316 13.485 3.519 0.00 0.00 DUM
|
|
ATOM 847 O MOL D 283 7.982 21.314 5.065 0.00 0.00 DUM
|
|
ATOM 848 H MOL D 283 7.013 20.923 4.895 0.00 0.00 DUM
|
|
ATOM 849 H MOL D 283 8.383 21.546 4.134 0.00 0.00 DUM
|
|
ATOM 850 O MOL D 284 8.046 13.581 6.456 0.00 0.00 DUM
|
|
ATOM 851 H MOL D 284 7.945 13.953 5.491 0.00 0.00 DUM
|
|
ATOM 852 H MOL D 284 8.705 14.223 7.003 0.00 0.00 DUM
|
|
ATOM 853 O MOL D 285 3.622 2.626 2.904 0.00 0.00 DUM
|
|
ATOM 854 H MOL D 285 2.809 2.504 2.306 0.00 0.00 DUM
|
|
ATOM 855 H MOL D 285 3.362 3.289 3.563 0.00 0.00 DUM
|
|
ATOM 856 O MOL D 286 8.885 18.873 3.674 0.00 0.00 DUM
|
|
ATOM 857 H MOL D 286 8.604 17.906 3.787 0.00 0.00 DUM
|
|
ATOM 858 H MOL D 286 8.644 19.263 4.610 0.00 0.00 DUM
|
|
ATOM 859 O MOL D 287 3.057 2.067 9.370 0.00 0.00 DUM
|
|
ATOM 860 H MOL D 287 2.478 2.860 9.030 0.00 0.00 DUM
|
|
ATOM 861 H MOL D 287 3.437 1.616 8.544 0.00 0.00 DUM
|
|
ATOM 862 O MOL D 288 11.628 14.305 16.598 0.00 0.00 DUM
|
|
ATOM 863 H MOL D 288 12.269 14.991 16.178 0.00 0.00 DUM
|
|
ATOM 864 H MOL D 288 10.916 14.277 15.932 0.00 0.00 DUM
|
|
ATOM 865 O MOL D 289 19.294 22.069 7.752 0.00 0.00 DUM
|
|
ATOM 866 H MOL D 289 20.332 22.170 7.778 0.00 0.00 DUM
|
|
ATOM 867 H MOL D 289 19.174 21.128 7.310 0.00 0.00 DUM
|
|
ATOM 868 O MOL D 290 11.217 5.386 3.140 0.00 0.00 DUM
|
|
ATOM 869 H MOL D 290 11.136 4.605 3.784 0.00 0.00 DUM
|
|
ATOM 870 H MOL D 290 10.277 5.723 3.036 0.00 0.00 DUM
|
|
ATOM 871 O MOL D 291 11.225 5.240 11.246 0.00 0.00 DUM
|
|
ATOM 872 H MOL D 291 10.884 4.401 10.786 0.00 0.00 DUM
|
|
ATOM 873 H MOL D 291 12.034 4.935 11.775 0.00 0.00 DUM
|
|
ATOM 874 O MOL D 292 0.523 13.159 19.927 0.00 0.00 DUM
|
|
ATOM 875 H MOL D 292 0.331 13.690 20.774 0.00 0.00 DUM
|
|
ATOM 876 H MOL D 292 0.651 13.804 19.097 0.00 0.00 DUM
|
|
ATOM 877 O MOL D 293 4.319 1.837 6.913 0.00 0.00 DUM
|
|
ATOM 878 H MOL D 293 3.613 2.418 6.552 0.00 0.00 DUM
|
|
ATOM 879 H MOL D 293 5.194 2.245 6.662 0.00 0.00 DUM
|
|
ATOM 880 O MOL D 294 1.964 21.878 12.207 0.00 0.00 DUM
|
|
ATOM 881 H MOL D 294 2.807 21.250 12.098 0.00 0.00 DUM
|
|
ATOM 882 H MOL D 294 1.524 21.958 11.260 0.00 0.00 DUM
|
|
ATOM 883 O MOL D 295 10.938 23.378 25.393 0.00 0.00 DUM
|
|
ATOM 884 H MOL D 295 11.238 23.607 24.462 0.00 0.00 DUM
|
|
ATOM 885 H MOL D 295 10.444 22.508 25.391 0.00 0.00 DUM
|
|
ATOM 886 O MOL D 296 21.634 12.406 3.837 0.00 0.00 DUM
|
|
ATOM 887 H MOL D 296 21.238 11.654 4.393 0.00 0.00 DUM
|
|
ATOM 888 H MOL D 296 22.087 13.070 4.484 0.00 0.00 DUM
|
|
ATOM 889 O MOL D 297 14.948 24.864 1.117 0.00 0.00 DUM
|
|
ATOM 890 H MOL D 297 15.175 23.908 1.318 0.00 0.00 DUM
|
|
ATOM 891 H MOL D 297 15.553 25.493 1.665 0.00 0.00 DUM
|
|
ATOM 892 O MOL D 298 5.912 13.098 23.633 0.00 0.00 DUM
|
|
ATOM 893 H MOL D 298 5.376 12.769 22.816 0.00 0.00 DUM
|
|
ATOM 894 H MOL D 298 6.865 13.145 23.362 0.00 0.00 DUM
|
|
ATOM 895 O MOL D 299 20.459 5.456 22.799 0.00 0.00 DUM
|
|
ATOM 896 H MOL D 299 20.475 5.139 21.811 0.00 0.00 DUM
|
|
ATOM 897 H MOL D 299 21.097 6.211 22.869 0.00 0.00 DUM
|
|
ATOM 898 O MOL D 300 24.062 9.119 4.305 0.00 0.00 DUM
|
|
ATOM 899 H MOL D 300 23.509 9.642 3.641 0.00 0.00 DUM
|
|
ATOM 900 H MOL D 300 24.232 8.195 3.819 0.00 0.00 DUM
|
|
ATOM 901 O MOL D 301 8.977 2.525 17.274 0.00 0.00 DUM
|
|
ATOM 902 H MOL D 301 8.994 1.669 16.713 0.00 0.00 DUM
|
|
ATOM 903 H MOL D 301 8.881 3.295 16.617 0.00 0.00 DUM
|
|
ATOM 904 O MOL D 302 1.278 0.276 20.651 0.00 0.00 DUM
|
|
ATOM 905 H MOL D 302 1.355 0.594 19.706 0.00 0.00 DUM
|
|
ATOM 906 H MOL D 302 1.895 0.836 21.191 0.00 0.00 DUM
|
|
ATOM 907 O MOL D 303 1.093 21.437 9.679 0.00 0.00 DUM
|
|
ATOM 908 H MOL D 303 0.525 22.302 9.675 0.00 0.00 DUM
|
|
ATOM 909 H MOL D 303 0.465 20.660 9.399 0.00 0.00 DUM
|
|
ATOM 910 O MOL D 304 15.115 1.759 18.579 0.00 0.00 DUM
|
|
ATOM 911 H MOL D 304 14.991 1.359 17.652 0.00 0.00 DUM
|
|
ATOM 912 H MOL D 304 15.008 2.806 18.472 0.00 0.00 DUM
|
|
ATOM 913 O MOL D 305 14.324 26.535 25.037 0.00 0.00 DUM
|
|
ATOM 914 H MOL D 305 14.783 26.218 24.198 0.00 0.00 DUM
|
|
ATOM 915 H MOL D 305 14.596 25.876 25.763 0.00 0.00 DUM
|
|
ATOM 916 O MOL D 306 15.935 4.980 2.797 0.00 0.00 DUM
|
|
ATOM 917 H MOL D 306 15.137 5.593 2.731 0.00 0.00 DUM
|
|
ATOM 918 H MOL D 306 15.505 4.054 2.864 0.00 0.00 DUM
|
|
ATOM 919 O MOL D 307 14.116 3.135 24.035 0.00 0.00 DUM
|
|
ATOM 920 H MOL D 307 14.558 2.904 23.147 0.00 0.00 DUM
|
|
ATOM 921 H MOL D 307 14.274 2.373 24.693 0.00 0.00 DUM
|
|
ATOM 922 O MOL D 308 7.253 6.675 14.608 0.00 0.00 DUM
|
|
ATOM 923 H MOL D 308 7.737 6.313 13.803 0.00 0.00 DUM
|
|
ATOM 924 H MOL D 308 6.864 7.574 14.410 0.00 0.00 DUM
|
|
ATOM 925 O MOL D 309 23.081 12.043 22.392 0.00 0.00 DUM
|
|
ATOM 926 H MOL D 309 22.924 11.758 21.463 0.00 0.00 DUM
|
|
ATOM 927 H MOL D 309 23.131 11.196 22.941 0.00 0.00 DUM
|
|
ATOM 928 O MOL D 310 9.979 3.688 0.782 0.00 0.00 DUM
|
|
ATOM 929 H MOL D 310 10.159 2.924 1.427 0.00 0.00 DUM
|
|
ATOM 930 H MOL D 310 10.312 4.539 1.244 0.00 0.00 DUM
|
|
ATOM 931 O MOL D 311 6.957 9.538 12.590 0.00 0.00 DUM
|
|
ATOM 932 H MOL D 311 7.778 10.148 12.342 0.00 0.00 DUM
|
|
ATOM 933 H MOL D 311 7.151 8.608 12.294 0.00 0.00 DUM
|
|
ATOM 934 O MOL D 312 8.599 9.777 4.866 0.00 0.00 DUM
|
|
ATOM 935 H MOL D 312 8.897 8.848 4.525 0.00 0.00 DUM
|
|
ATOM 936 H MOL D 312 9.435 10.339 5.087 0.00 0.00 DUM
|
|
ATOM 937 O MOL D 313 16.746 8.884 -0.404 0.00 0.00 DUM
|
|
ATOM 938 H MOL D 313 17.159 9.191 0.484 0.00 0.00 DUM
|
|
ATOM 939 H MOL D 313 15.755 9.254 -0.441 0.00 0.00 DUM
|
|
ATOM 940 O MOL D 314 24.869 22.928 0.247 0.00 0.00 DUM
|
|
ATOM 941 H MOL D 314 24.544 23.660 0.852 0.00 0.00 DUM
|
|
ATOM 942 H MOL D 314 23.998 22.439 0.001 0.00 0.00 DUM
|
|
ATOM 943 O MOL D 315 13.543 24.988 13.743 0.00 0.00 DUM
|
|
ATOM 944 H MOL D 315 13.172 25.817 13.267 0.00 0.00 DUM
|
|
ATOM 945 H MOL D 315 12.916 24.207 13.603 0.00 0.00 DUM
|
|
ATOM 946 O MOL D 316 24.213 25.793 4.229 0.00 0.00 DUM
|
|
ATOM 947 H MOL D 316 23.937 24.814 4.343 0.00 0.00 DUM
|
|
ATOM 948 H MOL D 316 24.140 25.961 3.186 0.00 0.00 DUM
|
|
ATOM 949 O MOL D 317 10.350 4.613 22.329 0.00 0.00 DUM
|
|
ATOM 950 H MOL D 317 11.205 4.757 22.833 0.00 0.00 DUM
|
|
ATOM 951 H MOL D 317 10.427 5.242 21.548 0.00 0.00 DUM
|
|
ATOM 952 O MOL D 318 1.552 1.406 24.756 0.00 0.00 DUM
|
|
ATOM 953 H MOL D 318 1.183 0.489 24.955 0.00 0.00 DUM
|
|
ATOM 954 H MOL D 318 2.536 1.283 24.752 0.00 0.00 DUM
|
|
ATOM 955 O MOL D 319 7.096 24.295 3.388 0.00 0.00 DUM
|
|
ATOM 956 H MOL D 319 6.851 25.282 3.319 0.00 0.00 DUM
|
|
ATOM 957 H MOL D 319 8.091 24.278 3.314 0.00 0.00 DUM
|
|
ATOM 958 O MOL D 320 20.118 17.809 24.963 0.00 0.00 DUM
|
|
ATOM 959 H MOL D 320 19.391 17.152 24.712 0.00 0.00 DUM
|
|
ATOM 960 H MOL D 320 20.650 17.340 25.674 0.00 0.00 DUM
|
|
ATOM 961 O MOL D 321 17.385 2.204 22.851 0.00 0.00 DUM
|
|
ATOM 962 H MOL D 321 17.863 2.620 23.622 0.00 0.00 DUM
|
|
ATOM 963 H MOL D 321 18.109 1.613 22.448 0.00 0.00 DUM
|
|
ATOM 964 O MOL D 322 7.303 10.957 6.932 0.00 0.00 DUM
|
|
ATOM 965 H MOL D 322 7.513 11.970 6.981 0.00 0.00 DUM
|
|
ATOM 966 H MOL D 322 7.804 10.715 6.035 0.00 0.00 DUM
|
|
ATOM 967 O MOL D 323 24.007 17.309 8.263 0.00 0.00 DUM
|
|
ATOM 968 H MOL D 323 24.840 17.405 7.706 0.00 0.00 DUM
|
|
ATOM 969 H MOL D 323 23.276 17.717 7.617 0.00 0.00 DUM
|
|
ATOM 970 O MOL D 324 15.596 17.112 23.523 0.00 0.00 DUM
|
|
ATOM 971 H MOL D 324 15.385 17.244 22.545 0.00 0.00 DUM
|
|
ATOM 972 H MOL D 324 14.977 17.720 24.038 0.00 0.00 DUM
|
|
ATOM 973 O MOL D 325 8.883 21.906 2.388 0.00 0.00 DUM
|
|
ATOM 974 H MOL D 325 9.501 22.747 2.308 0.00 0.00 DUM
|
|
ATOM 975 H MOL D 325 9.460 21.110 2.266 0.00 0.00 DUM
|
|
ATOM 976 O MOL D 326 12.533 23.673 1.660 0.00 0.00 DUM
|
|
ATOM 977 H MOL D 326 11.990 23.454 0.788 0.00 0.00 DUM
|
|
ATOM 978 H MOL D 326 13.223 24.387 1.366 0.00 0.00 DUM
|
|
ATOM 979 O MOL D 327 19.901 24.103 11.420 0.00 0.00 DUM
|
|
ATOM 980 H MOL D 327 20.230 23.119 11.443 0.00 0.00 DUM
|
|
ATOM 981 H MOL D 327 19.830 24.451 12.383 0.00 0.00 DUM
|
|
ATOM 982 O MOL D 328 6.437 17.463 17.097 0.00 0.00 DUM
|
|
ATOM 983 H MOL D 328 7.452 17.546 17.124 0.00 0.00 DUM
|
|
ATOM 984 H MOL D 328 6.223 16.659 16.430 0.00 0.00 DUM
|
|
ATOM 985 O MOL D 329 23.384 16.844 12.405 0.00 0.00 DUM
|
|
ATOM 986 H MOL D 329 24.232 16.543 12.002 0.00 0.00 DUM
|
|
ATOM 987 H MOL D 329 22.700 16.080 12.359 0.00 0.00 DUM
|
|
ATOM 988 O MOL D 330 19.681 7.354 25.402 0.00 0.00 DUM
|
|
ATOM 989 H MOL D 330 20.275 8.014 24.855 0.00 0.00 DUM
|
|
ATOM 990 H MOL D 330 20.067 7.481 26.329 0.00 0.00 DUM
|
|
ATOM 991 O MOL D 331 15.101 9.072 7.569 0.00 0.00 DUM
|
|
ATOM 992 H MOL D 331 14.830 9.965 8.000 0.00 0.00 DUM
|
|
ATOM 993 H MOL D 331 14.265 8.586 7.272 0.00 0.00 DUM
|
|
ATOM 994 O MOL D 332 1.915 7.615 24.649 0.00 0.00 DUM
|
|
ATOM 995 H MOL D 332 2.492 8.432 24.899 0.00 0.00 DUM
|
|
ATOM 996 H MOL D 332 2.626 6.875 24.583 0.00 0.00 DUM
|
|
ATOM 997 O MOL D 333 10.208 5.693 7.315 0.00 0.00 DUM
|
|
ATOM 998 H MOL D 333 10.848 4.930 7.370 0.00 0.00 DUM
|
|
ATOM 999 H MOL D 333 9.333 5.552 7.826 0.00 0.00 DUM
|
|
ATOM 1000 O MOL D 334 22.951 5.549 7.940 0.00 0.00 DUM
|
|
ATOM 1001 H MOL D 334 22.400 4.708 8.039 0.00 0.00 DUM
|
|
ATOM 1002 H MOL D 334 22.778 6.129 8.757 0.00 0.00 DUM
|
|
ATOM 1003 O MOL D 335 14.880 4.323 18.207 0.00 0.00 DUM
|
|
ATOM 1004 H MOL D 335 14.669 4.739 17.303 0.00 0.00 DUM
|
|
ATOM 1005 H MOL D 335 14.772 5.128 18.840 0.00 0.00 DUM
|
|
ATOM 1006 O MOL D 336 3.390 24.728 3.977 0.00 0.00 DUM
|
|
ATOM 1007 H MOL D 336 2.753 24.577 3.197 0.00 0.00 DUM
|
|
ATOM 1008 H MOL D 336 2.770 25.068 4.714 0.00 0.00 DUM
|
|
ATOM 1009 O MOL D 337 6.058 2.939 24.455 0.00 0.00 DUM
|
|
ATOM 1010 H MOL D 337 6.421 3.623 23.826 0.00 0.00 DUM
|
|
ATOM 1011 H MOL D 337 6.866 2.459 24.847 0.00 0.00 DUM
|
|
ATOM 1012 O MOL D 338 21.615 22.781 21.730 0.00 0.00 DUM
|
|
ATOM 1013 H MOL D 338 21.313 23.691 21.378 0.00 0.00 DUM
|
|
ATOM 1014 H MOL D 338 20.886 22.068 21.606 0.00 0.00 DUM
|
|
ATOM 1015 O MOL D 339 21.024 18.668 12.519 0.00 0.00 DUM
|
|
ATOM 1016 H MOL D 339 20.531 18.448 11.613 0.00 0.00 DUM
|
|
ATOM 1017 H MOL D 339 21.790 18.042 12.707 0.00 0.00 DUM
|
|
ATOM 1018 O MOL D 340 17.150 3.326 12.438 0.00 0.00 DUM
|
|
ATOM 1019 H MOL D 340 18.108 3.018 12.614 0.00 0.00 DUM
|
|
ATOM 1020 H MOL D 340 17.056 4.188 13.022 0.00 0.00 DUM
|
|
ATOM 1021 O MOL D 341 12.138 13.429 22.848 0.00 0.00 DUM
|
|
ATOM 1022 H MOL D 341 13.152 13.712 23.128 0.00 0.00 DUM
|
|
ATOM 1023 H MOL D 341 12.190 12.536 22.293 0.00 0.00 DUM
|
|
ATOM 1024 O MOL D 342 2.343 22.002 2.486 0.00 0.00 DUM
|
|
ATOM 1025 H MOL D 342 3.383 22.130 2.387 0.00 0.00 DUM
|
|
ATOM 1026 H MOL D 342 2.006 22.253 3.387 0.00 0.00 DUM
|
|
ATOM 1027 O MOL D 343 5.396 8.742 5.650 0.00 0.00 DUM
|
|
ATOM 1028 H MOL D 343 5.764 9.523 6.178 0.00 0.00 DUM
|
|
ATOM 1029 H MOL D 343 4.867 8.150 6.316 0.00 0.00 DUM
|
|
ATOM 1030 O MOL D 344 8.758 23.698 7.232 0.00 0.00 DUM
|
|
ATOM 1031 H MOL D 344 9.694 23.903 6.923 0.00 0.00 DUM
|
|
ATOM 1032 H MOL D 344 8.263 23.119 6.603 0.00 0.00 DUM
|
|
ATOM 1033 O MOL D 345 14.100 0.648 16.001 0.00 0.00 DUM
|
|
ATOM 1034 H MOL D 345 14.073 -0.195 15.434 0.00 0.00 DUM
|
|
ATOM 1035 H MOL D 345 13.153 0.961 16.224 0.00 0.00 DUM
|
|
ATOM 1036 O MOL D 346 12.136 16.313 8.436 0.00 0.00 DUM
|
|
ATOM 1037 H MOL D 346 12.705 16.345 7.554 0.00 0.00 DUM
|
|
ATOM 1038 H MOL D 346 12.714 16.567 9.259 0.00 0.00 DUM
|
|
ATOM 1039 O MOL D 347 15.156 11.568 8.682 0.00 0.00 DUM
|
|
ATOM 1040 H MOL D 347 15.253 11.107 9.580 0.00 0.00 DUM
|
|
ATOM 1041 H MOL D 347 14.934 12.566 8.860 0.00 0.00 DUM
|
|
ATOM 1042 O MOL D 348 8.563 1.695 25.521 0.00 0.00 DUM
|
|
ATOM 1043 H MOL D 348 9.233 2.408 25.807 0.00 0.00 DUM
|
|
ATOM 1044 H MOL D 348 8.497 1.683 24.558 0.00 0.00 DUM
|
|
ATOM 1045 O MOL D 349 26.633 14.964 3.629 0.00 0.00 DUM
|
|
ATOM 1046 H MOL D 349 25.888 14.882 4.278 0.00 0.00 DUM
|
|
ATOM 1047 H MOL D 349 27.146 14.088 3.650 0.00 0.00 DUM
|
|
ATOM 1048 O MOL D 350 3.030 18.995 14.185 0.00 0.00 DUM
|
|
ATOM 1049 H MOL D 350 3.340 19.264 15.123 0.00 0.00 DUM
|
|
ATOM 1050 H MOL D 350 3.415 19.620 13.505 0.00 0.00 DUM
|
|
ATOM 1051 O MOL D 351 -0.165 24.790 22.368 0.00 0.00 DUM
|
|
ATOM 1052 H MOL D 351 -0.768 24.385 21.690 0.00 0.00 DUM
|
|
ATOM 1053 H MOL D 351 0.413 25.428 21.827 0.00 0.00 DUM
|
|
ATOM 1054 O MOL D 352 8.413 7.936 22.420 0.00 0.00 DUM
|
|
ATOM 1055 H MOL D 352 8.514 7.431 23.302 0.00 0.00 DUM
|
|
ATOM 1056 H MOL D 352 7.637 7.462 21.945 0.00 0.00 DUM
|
|
ATOM 1057 O MOL D 353 24.011 9.684 25.074 0.00 0.00 DUM
|
|
ATOM 1058 H MOL D 353 24.408 8.941 25.601 0.00 0.00 DUM
|
|
ATOM 1059 H MOL D 353 24.726 10.436 25.150 0.00 0.00 DUM
|
|
ATOM 1060 O MOL D 354 24.801 21.085 6.544 0.00 0.00 DUM
|
|
ATOM 1061 H MOL D 354 25.287 20.467 5.830 0.00 0.00 DUM
|
|
ATOM 1062 H MOL D 354 25.189 21.985 6.366 0.00 0.00 DUM
|
|
ATOM 1063 O MOL D 355 6.647 6.370 21.022 0.00 0.00 DUM
|
|
ATOM 1064 H MOL D 355 7.179 6.322 20.155 0.00 0.00 DUM
|
|
ATOM 1065 H MOL D 355 5.712 6.604 20.691 0.00 0.00 DUM
|
|
ATOM 1066 O MOL D 356 24.078 10.122 12.562 0.00 0.00 DUM
|
|
ATOM 1067 H MOL D 356 24.356 10.473 13.431 0.00 0.00 DUM
|
|
ATOM 1068 H MOL D 356 23.774 10.949 12.040 0.00 0.00 DUM
|
|
ATOM 1069 O MOL D 357 4.701 9.226 10.895 0.00 0.00 DUM
|
|
ATOM 1070 H MOL D 357 5.417 9.532 11.514 0.00 0.00 DUM
|
|
ATOM 1071 H MOL D 357 5.016 8.507 10.223 0.00 0.00 DUM
|
|
ATOM 1072 O MOL D 358 12.028 13.669 13.087 0.00 0.00 DUM
|
|
ATOM 1073 H MOL D 358 11.513 14.013 13.836 0.00 0.00 DUM
|
|
ATOM 1074 H MOL D 358 11.595 13.938 12.299 0.00 0.00 DUM
|
|
ATOM 1075 O MOL D 359 7.522 25.771 8.744 0.00 0.00 DUM
|
|
ATOM 1076 H MOL D 359 7.865 25.077 8.066 0.00 0.00 DUM
|
|
ATOM 1077 H MOL D 359 6.681 25.392 9.136 0.00 0.00 DUM
|
|
ATOM 1078 O MOL D 360 8.769 20.954 9.211 0.00 0.00 DUM
|
|
ATOM 1079 H MOL D 360 8.148 21.433 9.808 0.00 0.00 DUM
|
|
ATOM 1080 H MOL D 360 9.454 20.567 9.853 0.00 0.00 DUM
|
|
ATOM 1081 O MOL D 361 10.214 24.806 3.224 0.00 0.00 DUM
|
|
ATOM 1082 H MOL D 361 11.057 24.348 2.853 0.00 0.00 DUM
|
|
ATOM 1083 H MOL D 361 10.412 25.022 4.158 0.00 0.00 DUM
|
|
ATOM 1084 O MOL D 362 18.986 5.728 8.464 0.00 0.00 DUM
|
|
ATOM 1085 H MOL D 362 19.718 4.987 8.658 0.00 0.00 DUM
|
|
ATOM 1086 H MOL D 362 18.774 6.181 9.408 0.00 0.00 DUM
|
|
ATOM 1087 O MOL D 363 19.017 0.040 9.756 0.00 0.00 DUM
|
|
ATOM 1088 H MOL D 363 19.277 -0.605 10.490 0.00 0.00 DUM
|
|
ATOM 1089 H MOL D 363 18.226 0.590 10.142 0.00 0.00 DUM
|
|
ATOM 1090 O MOL D 364 9.776 20.690 24.781 0.00 0.00 DUM
|
|
ATOM 1091 H MOL D 364 10.233 20.474 23.879 0.00 0.00 DUM
|
|
ATOM 1092 H MOL D 364 9.806 19.851 25.372 0.00 0.00 DUM
|
|
ATOM 1093 O MOL D 365 21.480 3.013 18.581 0.00 0.00 DUM
|
|
ATOM 1094 H MOL D 365 21.696 3.508 17.690 0.00 0.00 DUM
|
|
ATOM 1095 H MOL D 365 22.372 2.808 19.003 0.00 0.00 DUM
|
|
ATOM 1096 O MOL D 366 20.465 7.962 19.473 0.00 0.00 DUM
|
|
ATOM 1097 H MOL D 366 21.208 8.406 19.998 0.00 0.00 DUM
|
|
ATOM 1098 H MOL D 366 20.512 7.017 19.735 0.00 0.00 DUM
|
|
ATOM 1099 O MOL D 367 11.147 1.217 8.934 0.00 0.00 DUM
|
|
ATOM 1100 H MOL D 367 12.137 1.400 9.093 0.00 0.00 DUM
|
|
ATOM 1101 H MOL D 367 10.914 0.410 9.404 0.00 0.00 DUM
|
|
ATOM 1102 O MOL D 368 20.065 20.613 22.290 0.00 0.00 DUM
|
|
ATOM 1103 H MOL D 368 19.184 21.093 21.997 0.00 0.00 DUM
|
|
ATOM 1104 H MOL D 368 20.479 20.160 21.442 0.00 0.00 DUM
|
|
ATOM 1105 O MOL D 369 9.273 14.631 11.493 0.00 0.00 DUM
|
|
ATOM 1106 H MOL D 369 8.938 13.768 11.081 0.00 0.00 DUM
|
|
ATOM 1107 H MOL D 369 8.978 15.429 10.981 0.00 0.00 DUM
|
|
ATOM 1108 O MOL D 370 4.035 16.111 13.229 0.00 0.00 DUM
|
|
ATOM 1109 H MOL D 370 3.433 16.817 13.614 0.00 0.00 DUM
|
|
ATOM 1110 H MOL D 370 3.426 15.399 12.769 0.00 0.00 DUM
|
|
ATOM 1111 O MOL D 371 10.346 10.538 15.726 0.00 0.00 DUM
|
|
ATOM 1112 H MOL D 371 9.355 10.721 15.892 0.00 0.00 DUM
|
|
ATOM 1113 H MOL D 371 10.893 11.133 16.358 0.00 0.00 DUM
|
|
ATOM 1114 O MOL D 372 4.242 24.266 12.091 0.00 0.00 DUM
|
|
ATOM 1115 H MOL D 372 3.648 24.116 12.877 0.00 0.00 DUM
|
|
ATOM 1116 H MOL D 372 5.171 24.400 12.542 0.00 0.00 DUM
|
|
ATOM 1117 O MOL D 373 24.639 6.967 2.825 0.00 0.00 DUM
|
|
ATOM 1118 H MOL D 373 24.326 7.135 1.843 0.00 0.00 DUM
|
|
ATOM 1119 H MOL D 373 25.659 6.955 2.816 0.00 0.00 DUM
|
|
ATOM 1120 O MOL D 374 5.738 12.721 2.068 0.00 0.00 DUM
|
|
ATOM 1121 H MOL D 374 6.212 11.850 1.883 0.00 0.00 DUM
|
|
ATOM 1122 H MOL D 374 5.272 13.022 1.213 0.00 0.00 DUM
|
|
ATOM 1123 O MOL D 375 0.513 4.016 14.226 0.00 0.00 DUM
|
|
ATOM 1124 H MOL D 375 0.535 3.175 13.702 0.00 0.00 DUM
|
|
ATOM 1125 H MOL D 375 0.794 3.834 15.185 0.00 0.00 DUM
|
|
ATOM 1126 O MOL D 376 12.275 14.293 5.082 0.00 0.00 DUM
|
|
ATOM 1127 H MOL D 376 12.816 15.027 5.500 0.00 0.00 DUM
|
|
ATOM 1128 H MOL D 376 12.753 13.363 5.116 0.00 0.00 DUM
|
|
ATOM 1129 O MOL D 377 22.106 16.925 2.405 0.00 0.00 DUM
|
|
ATOM 1130 H MOL D 377 22.204 17.931 2.443 0.00 0.00 DUM
|
|
ATOM 1131 H MOL D 377 22.665 16.542 3.136 0.00 0.00 DUM
|
|
ATOM 1132 O MOL D 378 5.077 9.725 17.539 0.00 0.00 DUM
|
|
ATOM 1133 H MOL D 378 4.305 9.106 17.344 0.00 0.00 DUM
|
|
ATOM 1134 H MOL D 378 4.655 10.659 17.391 0.00 0.00 DUM
|
|
ATOM 1135 O MOL D 379 22.160 22.046 8.205 0.00 0.00 DUM
|
|
ATOM 1136 H MOL D 379 22.806 21.679 7.511 0.00 0.00 DUM
|
|
ATOM 1137 H MOL D 379 22.403 21.610 9.083 0.00 0.00 DUM
|
|
ATOM 1138 O MOL D 380 14.304 2.859 2.744 0.00 0.00 DUM
|
|
ATOM 1139 H MOL D 380 14.216 1.925 2.490 0.00 0.00 DUM
|
|
ATOM 1140 H MOL D 380 13.379 3.047 3.136 0.00 0.00 DUM
|
|
ATOM 1141 O MOL D 381 9.232 11.877 1.591 0.00 0.00 DUM
|
|
ATOM 1142 H MOL D 381 9.728 12.486 2.204 0.00 0.00 DUM
|
|
ATOM 1143 H MOL D 381 8.710 12.478 0.971 0.00 0.00 DUM
|
|
ATOM 1144 O MOL D 382 25.995 20.655 1.496 0.00 0.00 DUM
|
|
ATOM 1145 H MOL D 382 26.208 20.334 2.468 0.00 0.00 DUM
|
|
ATOM 1146 H MOL D 382 25.181 20.125 1.308 0.00 0.00 DUM
|
|
ATOM 1147 O MOL D 383 20.024 17.176 6.346 0.00 0.00 DUM
|
|
ATOM 1148 H MOL D 383 19.625 16.518 6.913 0.00 0.00 DUM
|
|
ATOM 1149 H MOL D 383 19.733 17.055 5.366 0.00 0.00 DUM
|
|
ATOM 1150 O MOL D 384 25.485 6.876 15.089 0.00 0.00 DUM
|
|
ATOM 1151 H MOL D 384 25.326 5.903 15.030 0.00 0.00 DUM
|
|
ATOM 1152 H MOL D 384 25.466 7.162 14.124 0.00 0.00 DUM
|
|
ATOM 1153 O MOL D 385 15.835 22.742 9.498 0.00 0.00 DUM
|
|
ATOM 1154 H MOL D 385 15.700 23.239 10.352 0.00 0.00 DUM
|
|
ATOM 1155 H MOL D 385 16.288 23.303 8.803 0.00 0.00 DUM
|
|
ATOM 1156 O MOL D 386 6.429 5.362 16.758 0.00 0.00 DUM
|
|
ATOM 1157 H MOL D 386 5.625 4.868 16.273 0.00 0.00 DUM
|
|
ATOM 1158 H MOL D 386 6.798 6.093 16.134 0.00 0.00 DUM
|
|
ATOM 1159 O MOL D 387 7.815 18.135 11.171 0.00 0.00 DUM
|
|
ATOM 1160 H MOL D 387 7.290 18.776 11.762 0.00 0.00 DUM
|
|
ATOM 1161 H MOL D 387 7.420 17.177 11.211 0.00 0.00 DUM
|
|
ATOM 1162 O MOL D 388 13.954 9.382 16.624 0.00 0.00 DUM
|
|
ATOM 1163 H MOL D 388 14.303 10.295 16.377 0.00 0.00 DUM
|
|
ATOM 1164 H MOL D 388 14.488 9.045 17.390 0.00 0.00 DUM
|
|
ATOM 1165 O MOL D 389 25.658 19.404 9.026 0.00 0.00 DUM
|
|
ATOM 1166 H MOL D 389 25.254 19.703 8.128 0.00 0.00 DUM
|
|
ATOM 1167 H MOL D 389 25.171 18.578 9.259 0.00 0.00 DUM
|
|
ATOM 1168 O MOL D 390 11.114 15.769 21.687 0.00 0.00 DUM
|
|
ATOM 1169 H MOL D 390 10.683 15.767 20.788 0.00 0.00 DUM
|
|
ATOM 1170 H MOL D 390 11.440 14.757 21.861 0.00 0.00 DUM
|
|
ATOM 1171 O MOL D 391 7.308 13.042 14.958 0.00 0.00 DUM
|
|
ATOM 1172 H MOL D 391 7.491 12.520 15.817 0.00 0.00 DUM
|
|
ATOM 1173 H MOL D 391 6.652 12.487 14.359 0.00 0.00 DUM
|
|
ATOM 1174 O MOL D 392 19.236 17.090 3.429 0.00 0.00 DUM
|
|
ATOM 1175 H MOL D 392 18.907 16.155 3.335 0.00 0.00 DUM
|
|
ATOM 1176 H MOL D 392 20.177 17.102 3.013 0.00 0.00 DUM
|
|
ATOM 1177 O MOL D 393 16.432 23.328 19.418 0.00 0.00 DUM
|
|
ATOM 1178 H MOL D 393 15.440 23.589 19.542 0.00 0.00 DUM
|
|
ATOM 1179 H MOL D 393 16.949 24.158 19.406 0.00 0.00 DUM
|
|
ATOM 1180 O MOL D 394 16.968 21.129 12.268 0.00 0.00 DUM
|
|
ATOM 1181 H MOL D 394 16.423 21.907 12.194 0.00 0.00 DUM
|
|
ATOM 1182 H MOL D 394 17.451 20.960 11.369 0.00 0.00 DUM
|
|
ATOM 1183 O MOL D 395 13.454 4.716 12.656 0.00 0.00 DUM
|
|
ATOM 1184 H MOL D 395 14.076 4.740 11.863 0.00 0.00 DUM
|
|
ATOM 1185 H MOL D 395 13.990 4.349 13.378 0.00 0.00 DUM
|
|
ATOM 1186 O MOL D 396 24.204 23.489 20.622 0.00 0.00 DUM
|
|
ATOM 1187 H MOL D 396 23.578 22.961 21.147 0.00 0.00 DUM
|
|
ATOM 1188 H MOL D 396 24.774 22.856 20.054 0.00 0.00 DUM
|
|
ATOM 1189 O MOL D 397 19.226 12.410 2.349 0.00 0.00 DUM
|
|
ATOM 1190 H MOL D 397 20.090 12.890 2.621 0.00 0.00 DUM
|
|
ATOM 1191 H MOL D 397 18.540 13.060 2.629 0.00 0.00 DUM
|
|
ATOM 1192 O MOL D 398 18.931 19.607 6.817 0.00 0.00 DUM
|
|
ATOM 1193 H MOL D 398 19.353 18.646 6.727 0.00 0.00 DUM
|
|
ATOM 1194 H MOL D 398 18.151 19.483 7.470 0.00 0.00 DUM
|
|
ATOM 1195 O MOL D 399 22.535 1.832 4.576 0.00 0.00 DUM
|
|
ATOM 1196 H MOL D 399 23.016 2.683 4.240 0.00 0.00 DUM
|
|
ATOM 1197 H MOL D 399 23.265 1.107 4.635 0.00 0.00 DUM
|
|
ATOM 1198 O MOL D 400 8.301 6.000 18.926 0.00 0.00 DUM
|
|
ATOM 1199 H MOL D 400 7.772 5.397 18.395 0.00 0.00 DUM
|
|
ATOM 1200 H MOL D 400 9.254 5.933 18.644 0.00 0.00 DUM
|
|
ATOM 1201 O MOL D 401 20.733 10.262 5.306 0.00 0.00 DUM
|
|
ATOM 1202 H MOL D 401 21.005 9.355 5.629 0.00 0.00 DUM
|
|
ATOM 1203 H MOL D 401 19.924 10.041 4.748 0.00 0.00 DUM
|
|
ATOM 1204 O MOL D 402 3.164 10.280 -0.298 0.00 0.00 DUM
|
|
ATOM 1205 H MOL D 402 3.679 10.132 0.606 0.00 0.00 DUM
|
|
ATOM 1206 H MOL D 402 3.864 10.401 -1.011 0.00 0.00 DUM
|
|
ATOM 1207 O MOL D 403 11.911 22.263 4.924 0.00 0.00 DUM
|
|
ATOM 1208 H MOL D 403 11.297 21.492 5.182 0.00 0.00 DUM
|
|
ATOM 1209 H MOL D 403 12.467 21.924 4.091 0.00 0.00 DUM
|
|
ATOM 1210 O MOL D 404 1.119 22.976 24.021 0.00 0.00 DUM
|
|
ATOM 1211 H MOL D 404 0.922 22.073 23.643 0.00 0.00 DUM
|
|
ATOM 1212 H MOL D 404 0.767 23.629 23.363 0.00 0.00 DUM
|
|
ATOM 1213 O MOL D 405 22.399 21.698 25.648 0.00 0.00 DUM
|
|
ATOM 1214 H MOL D 405 22.415 20.819 25.123 0.00 0.00 DUM
|
|
ATOM 1215 H MOL D 405 21.779 21.607 26.455 0.00 0.00 DUM
|
|
ATOM 1216 O MOL D 406 5.014 12.017 21.325 0.00 0.00 DUM
|
|
ATOM 1217 H MOL D 406 4.174 12.013 20.820 0.00 0.00 DUM
|
|
ATOM 1218 H MOL D 406 5.392 11.048 21.204 0.00 0.00 DUM
|
|
ATOM 1219 O MOL D 407 1.137 22.261 4.954 0.00 0.00 DUM
|
|
ATOM 1220 H MOL D 407 1.655 22.023 5.812 0.00 0.00 DUM
|
|
ATOM 1221 H MOL D 407 0.863 23.254 4.952 0.00 0.00 DUM
|
|
ATOM 1222 O MOL D 408 25.245 13.462 5.821 0.00 0.00 DUM
|
|
ATOM 1223 H MOL D 408 25.199 12.453 5.804 0.00 0.00 DUM
|
|
ATOM 1224 H MOL D 408 25.633 13.773 6.729 0.00 0.00 DUM
|
|
ATOM 1225 O MOL D 409 19.909 10.473 13.957 0.00 0.00 DUM
|
|
ATOM 1226 H MOL D 409 19.855 9.611 13.427 0.00 0.00 DUM
|
|
ATOM 1227 H MOL D 409 20.299 10.283 14.886 0.00 0.00 DUM
|
|
ATOM 1228 O MOL D 410 1.359 5.014 0.095 0.00 0.00 DUM
|
|
ATOM 1229 H MOL D 410 0.909 4.562 0.854 0.00 0.00 DUM
|
|
ATOM 1230 H MOL D 410 2.257 5.164 0.543 0.00 0.00 DUM
|
|
ATOM 1231 O MOL D 411 13.933 25.243 6.540 0.00 0.00 DUM
|
|
ATOM 1232 H MOL D 411 14.612 25.703 5.871 0.00 0.00 DUM
|
|
ATOM 1233 H MOL D 411 13.939 25.747 7.414 0.00 0.00 DUM
|
|
ATOM 1234 O MOL D 412 22.098 19.517 23.855 0.00 0.00 DUM
|
|
ATOM 1235 H MOL D 412 21.524 18.901 24.414 0.00 0.00 DUM
|
|
ATOM 1236 H MOL D 412 21.472 20.087 23.279 0.00 0.00 DUM
|
|
ATOM 1237 O MOL D 413 14.613 14.303 23.668 0.00 0.00 DUM
|
|
ATOM 1238 H MOL D 413 15.120 15.179 23.515 0.00 0.00 DUM
|
|
ATOM 1239 H MOL D 413 15.316 13.520 23.719 0.00 0.00 DUM
|
|
ATOM 1240 O MOL D 414 1.934 5.921 16.619 0.00 0.00 DUM
|
|
ATOM 1241 H MOL D 414 1.617 5.001 16.889 0.00 0.00 DUM
|
|
ATOM 1242 H MOL D 414 1.199 6.451 16.138 0.00 0.00 DUM
|
|
ATOM 1243 O MOL D 415 21.080 15.129 12.264 0.00 0.00 DUM
|
|
ATOM 1244 H MOL D 415 21.316 14.143 12.467 0.00 0.00 DUM
|
|
ATOM 1245 H MOL D 415 20.271 15.338 12.842 0.00 0.00 DUM
|
|
ATOM 1246 O MOL D 416 23.083 23.370 4.458 0.00 0.00 DUM
|
|
ATOM 1247 H MOL D 416 22.430 23.480 3.708 0.00 0.00 DUM
|
|
ATOM 1248 H MOL D 416 22.683 22.629 4.989 0.00 0.00 DUM
|
|
ATOM 1249 O MOL D 417 4.720 5.200 12.636 0.00 0.00 DUM
|
|
ATOM 1250 H MOL D 417 5.063 4.846 13.491 0.00 0.00 DUM
|
|
ATOM 1251 H MOL D 417 5.414 5.868 12.261 0.00 0.00 DUM
|
|
ATOM 1252 O MOL D 418 5.938 13.353 8.295 0.00 0.00 DUM
|
|
ATOM 1253 H MOL D 418 6.287 12.546 8.813 0.00 0.00 DUM
|
|
ATOM 1254 H MOL D 418 6.731 13.610 7.761 0.00 0.00 DUM
|
|
ATOM 1255 O MOL D 419 7.980 2.063 19.746 0.00 0.00 DUM
|
|
ATOM 1256 H MOL D 419 8.205 2.311 18.788 0.00 0.00 DUM
|
|
ATOM 1257 H MOL D 419 7.152 2.588 20.033 0.00 0.00 DUM
|
|
ATOM 1258 O MOL D 420 9.090 11.893 18.629 0.00 0.00 DUM
|
|
ATOM 1259 H MOL D 420 10.002 12.240 18.428 0.00 0.00 DUM
|
|
ATOM 1260 H MOL D 420 9.265 11.119 19.280 0.00 0.00 DUM
|
|
ATOM 1261 O MOL D 421 20.289 11.770 25.783 0.00 0.00 DUM
|
|
ATOM 1262 H MOL D 421 21.289 12.041 25.723 0.00 0.00 DUM
|
|
ATOM 1263 H MOL D 421 20.029 11.756 26.755 0.00 0.00 DUM
|
|
ATOM 1264 O MOL D 422 1.898 20.527 25.236 0.00 0.00 DUM
|
|
ATOM 1265 H MOL D 422 1.451 20.338 24.342 0.00 0.00 DUM
|
|
ATOM 1266 H MOL D 422 2.557 19.796 25.442 0.00 0.00 DUM
|
|
ATOM 1267 O MOL D 423 -0.097 16.064 11.595 0.00 0.00 DUM
|
|
ATOM 1268 H MOL D 423 -0.375 15.095 11.491 0.00 0.00 DUM
|
|
ATOM 1269 H MOL D 423 0.639 16.166 12.309 0.00 0.00 DUM
|
|
ATOM 1270 O MOL D 424 7.935 2.962 2.775 0.00 0.00 DUM
|
|
ATOM 1271 H MOL D 424 7.081 3.351 2.420 0.00 0.00 DUM
|
|
ATOM 1272 H MOL D 424 8.147 2.193 2.147 0.00 0.00 DUM
|
|
ATOM 1273 O MOL D 425 10.726 2.245 5.976 0.00 0.00 DUM
|
|
ATOM 1274 H MOL D 425 11.207 2.305 6.891 0.00 0.00 DUM
|
|
ATOM 1275 H MOL D 425 10.089 1.440 6.036 0.00 0.00 DUM
|
|
ATOM 1276 O MOL D 426 4.454 1.101 18.888 0.00 0.00 DUM
|
|
ATOM 1277 H MOL D 426 5.002 1.907 19.221 0.00 0.00 DUM
|
|
ATOM 1278 H MOL D 426 4.964 0.245 19.081 0.00 0.00 DUM
|
|
ATOM 1279 O MOL D 427 23.542 5.338 0.215 0.00 0.00 DUM
|
|
ATOM 1280 H MOL D 427 23.901 4.442 0.498 0.00 0.00 DUM
|
|
ATOM 1281 H MOL D 427 22.516 5.297 0.319 0.00 0.00 DUM
|
|
ATOM 1282 O MOL D 428 10.262 1.143 1.992 0.00 0.00 DUM
|
|
ATOM 1283 H MOL D 428 10.421 0.751 1.098 0.00 0.00 DUM
|
|
ATOM 1284 H MOL D 428 10.027 0.378 2.613 0.00 0.00 DUM
|
|
ATOM 1285 O MOL D 429 0.339 8.399 6.916 0.00 0.00 DUM
|
|
ATOM 1286 H MOL D 429 0.765 8.450 5.986 0.00 0.00 DUM
|
|
ATOM 1287 H MOL D 429 -0.009 9.369 6.919 0.00 0.00 DUM
|
|
ATOM 1288 O MOL D 430 21.721 14.416 23.274 0.00 0.00 DUM
|
|
ATOM 1289 H MOL D 430 20.734 14.278 23.277 0.00 0.00 DUM
|
|
ATOM 1290 H MOL D 430 22.114 13.533 22.940 0.00 0.00 DUM
|
|
ATOM 1291 O MOL D 431 24.475 23.246 13.516 0.00 0.00 DUM
|
|
ATOM 1292 H MOL D 431 24.711 23.790 12.730 0.00 0.00 DUM
|
|
ATOM 1293 H MOL D 431 24.460 23.938 14.246 0.00 0.00 DUM
|
|
ATOM 1294 O MOL D 432 17.439 15.621 7.224 0.00 0.00 DUM
|
|
ATOM 1295 H MOL D 432 16.982 16.033 6.437 0.00 0.00 DUM
|
|
ATOM 1296 H MOL D 432 17.115 16.145 8.029 0.00 0.00 DUM
|
|
ATOM 1297 O MOL D 433 11.758 1.512 16.728 0.00 0.00 DUM
|
|
ATOM 1298 H MOL D 433 11.603 1.397 17.703 0.00 0.00 DUM
|
|
ATOM 1299 H MOL D 433 11.397 2.390 16.464 0.00 0.00 DUM
|
|
ATOM 1300 O MOL D 434 10.830 9.836 1.154 0.00 0.00 DUM
|
|
ATOM 1301 H MOL D 434 11.213 10.221 0.318 0.00 0.00 DUM
|
|
ATOM 1302 H MOL D 434 10.300 10.626 1.570 0.00 0.00 DUM
|
|
ATOM 1303 O MOL D 435 23.427 5.427 21.942 0.00 0.00 DUM
|
|
ATOM 1304 H MOL D 435 23.281 5.740 22.885 0.00 0.00 DUM
|
|
ATOM 1305 H MOL D 435 23.988 4.565 22.051 0.00 0.00 DUM
|
|
ATOM 1306 O MOL D 436 4.270 4.433 15.475 0.00 0.00 DUM
|
|
ATOM 1307 H MOL D 436 3.784 4.873 16.213 0.00 0.00 DUM
|
|
ATOM 1308 H MOL D 436 3.518 3.924 15.029 0.00 0.00 DUM
|
|
ATOM 1309 O MOL D 437 13.474 13.242 1.131 0.00 0.00 DUM
|
|
ATOM 1310 H MOL D 437 12.530 13.185 1.487 0.00 0.00 DUM
|
|
ATOM 1311 H MOL D 437 13.909 12.398 1.412 0.00 0.00 DUM
|
|
ATOM 1312 O MOL D 438 11.443 0.104 25.651 0.00 0.00 DUM
|
|
ATOM 1313 H MOL D 438 11.349 -0.904 25.545 0.00 0.00 DUM
|
|
ATOM 1314 H MOL D 438 12.408 0.406 25.403 0.00 0.00 DUM
|
|
ATOM 1315 O MOL D 439 14.953 -0.238 22.421 0.00 0.00 DUM
|
|
ATOM 1316 H MOL D 439 14.408 -1.033 22.072 0.00 0.00 DUM
|
|
ATOM 1317 H MOL D 439 14.675 0.577 21.887 0.00 0.00 DUM
|
|
ATOM 1318 O MOL D 440 10.820 11.211 5.815 0.00 0.00 DUM
|
|
ATOM 1319 H MOL D 440 11.771 11.287 5.495 0.00 0.00 DUM
|
|
ATOM 1320 H MOL D 440 10.706 11.985 6.455 0.00 0.00 DUM
|
|
ATOM 1321 O MOL D 441 1.389 14.836 25.592 0.00 0.00 DUM
|
|
ATOM 1322 H MOL D 441 1.519 13.923 26.094 0.00 0.00 DUM
|
|
ATOM 1323 H MOL D 441 1.304 14.608 24.630 0.00 0.00 DUM
|
|
ATOM 1324 O MOL D 442 5.065 24.551 9.572 0.00 0.00 DUM
|
|
ATOM 1325 H MOL D 442 4.456 24.286 10.378 0.00 0.00 DUM
|
|
ATOM 1326 H MOL D 442 4.667 24.324 8.683 0.00 0.00 DUM
|
|
ATOM 1327 O MOL D 443 24.333 18.469 26.985 0.00 0.00 DUM
|
|
ATOM 1328 H MOL D 443 23.967 18.409 25.998 0.00 0.00 DUM
|
|
ATOM 1329 H MOL D 443 25.005 17.674 27.144 0.00 0.00 DUM
|
|
ATOM 1330 O MOL D 444 5.563 16.012 1.717 0.00 0.00 DUM
|
|
ATOM 1331 H MOL D 444 6.339 16.606 1.381 0.00 0.00 DUM
|
|
ATOM 1332 H MOL D 444 5.258 15.448 0.917 0.00 0.00 DUM
|
|
ATOM 1333 O MOL D 445 6.965 10.007 2.728 0.00 0.00 DUM
|
|
ATOM 1334 H MOL D 445 7.305 9.691 3.633 0.00 0.00 DUM
|
|
ATOM 1335 H MOL D 445 7.726 10.539 2.289 0.00 0.00 DUM
|
|
ATOM 1336 O MOL D 446 6.078 13.808 19.781 0.00 0.00 DUM
|
|
ATOM 1337 H MOL D 446 7.101 13.988 19.945 0.00 0.00 DUM
|
|
ATOM 1338 H MOL D 446 5.708 13.101 20.394 0.00 0.00 DUM
|
|
ATOM 1339 O MOL D 447 10.670 9.038 9.648 0.00 0.00 DUM
|
|
ATOM 1340 H MOL D 447 9.949 9.024 8.890 0.00 0.00 DUM
|
|
ATOM 1341 H MOL D 447 11.451 8.482 9.361 0.00 0.00 DUM
|
|
ATOM 1342 O MOL D 448 1.891 8.377 4.863 0.00 0.00 DUM
|
|
ATOM 1343 H MOL D 448 1.975 9.332 4.762 0.00 0.00 DUM
|
|
ATOM 1344 H MOL D 448 1.709 7.959 3.941 0.00 0.00 DUM
|
|
ATOM 1345 O MOL D 449 3.409 2.388 12.467 0.00 0.00 DUM
|
|
ATOM 1346 H MOL D 449 3.422 3.372 12.214 0.00 0.00 DUM
|
|
ATOM 1347 H MOL D 449 2.516 1.906 12.280 0.00 0.00 DUM
|
|
ATOM 1348 O MOL D 450 19.806 26.504 1.381 0.00 0.00 DUM
|
|
ATOM 1349 H MOL D 450 18.990 25.875 1.319 0.00 0.00 DUM
|
|
ATOM 1350 H MOL D 450 19.401 27.226 1.900 0.00 0.00 DUM
|
|
ATOM 1351 O MOL D 451 9.756 14.408 14.492 0.00 0.00 DUM
|
|
ATOM 1352 H MOL D 451 9.678 14.558 13.498 0.00 0.00 DUM
|
|
ATOM 1353 H MOL D 451 9.010 13.772 14.853 0.00 0.00 DUM
|
|
ATOM 1354 O MOL D 452 1.737 6.688 21.126 0.00 0.00 DUM
|
|
ATOM 1355 H MOL D 452 2.350 6.512 21.959 0.00 0.00 DUM
|
|
ATOM 1356 H MOL D 452 1.157 7.512 21.361 0.00 0.00 DUM
|
|
ATOM 1357 O MOL D 453 12.449 10.727 19.851 0.00 0.00 DUM
|
|
ATOM 1358 H MOL D 453 12.637 11.163 18.961 0.00 0.00 DUM
|
|
ATOM 1359 H MOL D 453 12.129 9.779 19.607 0.00 0.00 DUM
|
|
ATOM 1360 O MOL D 454 14.780 11.184 2.281 0.00 0.00 DUM
|
|
ATOM 1361 H MOL D 454 14.345 10.312 2.646 0.00 0.00 DUM
|
|
ATOM 1362 H MOL D 454 15.778 10.904 2.270 0.00 0.00 DUM
|
|
ATOM 1363 O MOL D 455 11.101 12.681 8.443 0.00 0.00 DUM
|
|
ATOM 1364 H MOL D 455 11.539 12.112 9.201 0.00 0.00 DUM
|
|
ATOM 1365 H MOL D 455 11.595 13.556 8.427 0.00 0.00 DUM
|
|
ATOM 1366 O MOL D 456 18.944 25.773 7.090 0.00 0.00 DUM
|
|
ATOM 1367 H MOL D 456 19.028 25.724 8.059 0.00 0.00 DUM
|
|
ATOM 1368 H MOL D 456 18.220 26.412 6.918 0.00 0.00 DUM
|
|
ATOM 1369 O MOL D 457 9.820 0.648 12.121 0.00 0.00 DUM
|
|
ATOM 1370 H MOL D 457 10.815 0.787 12.335 0.00 0.00 DUM
|
|
ATOM 1371 H MOL D 457 9.504 1.572 11.910 0.00 0.00 DUM
|
|
ATOM 1372 O MOL D 458 23.869 4.309 14.741 0.00 0.00 DUM
|
|
ATOM 1373 H MOL D 458 23.588 4.682 13.831 0.00 0.00 DUM
|
|
ATOM 1374 H MOL D 458 24.825 3.981 14.708 0.00 0.00 DUM
|
|
ATOM 1375 O MOL D 459 2.740 7.989 12.055 0.00 0.00 DUM
|
|
ATOM 1376 H MOL D 459 3.443 8.586 11.684 0.00 0.00 DUM
|
|
ATOM 1377 H MOL D 459 2.884 8.166 13.026 0.00 0.00 DUM
|
|
ATOM 1378 O MOL D 460 24.856 10.524 6.476 0.00 0.00 DUM
|
|
ATOM 1379 H MOL D 460 24.607 9.999 5.626 0.00 0.00 DUM
|
|
ATOM 1380 H MOL D 460 24.058 10.598 7.068 0.00 0.00 DUM
|
|
ATOM 1381 O MOL D 461 9.212 7.038 12.254 0.00 0.00 DUM
|
|
ATOM 1382 H MOL D 461 9.658 7.669 12.900 0.00 0.00 DUM
|
|
ATOM 1383 H MOL D 461 9.932 6.450 11.840 0.00 0.00 DUM
|
|
ATOM 1384 O MOL D 462 22.290 10.998 7.932 0.00 0.00 DUM
|
|
ATOM 1385 H MOL D 462 21.951 11.944 8.021 0.00 0.00 DUM
|
|
ATOM 1386 H MOL D 462 21.614 10.534 7.338 0.00 0.00 DUM
|
|
ATOM 1387 O MOL D 463 16.819 23.279 3.845 0.00 0.00 DUM
|
|
ATOM 1388 H MOL D 463 16.132 22.801 4.394 0.00 0.00 DUM
|
|
ATOM 1389 H MOL D 463 17.015 24.172 4.224 0.00 0.00 DUM
|
|
ATOM 1390 O MOL D 464 16.110 16.264 4.930 0.00 0.00 DUM
|
|
ATOM 1391 H MOL D 464 15.634 15.727 4.215 0.00 0.00 DUM
|
|
ATOM 1392 H MOL D 464 16.713 16.820 4.483 0.00 0.00 DUM
|
|
ATOM 1393 O MOL D 465 24.229 8.214 21.485 0.00 0.00 DUM
|
|
ATOM 1394 H MOL D 465 24.904 8.678 22.107 0.00 0.00 DUM
|
|
ATOM 1395 H MOL D 465 24.036 7.276 21.821 0.00 0.00 DUM
|
|
ATOM 1396 O MOL D 466 6.386 18.954 26.171 0.00 0.00 DUM
|
|
ATOM 1397 H MOL D 466 7.064 19.661 26.341 0.00 0.00 DUM
|
|
ATOM 1398 H MOL D 466 6.918 18.118 25.973 0.00 0.00 DUM
|
|
ATOM 1399 O MOL D 467 6.191 1.635 11.771 0.00 0.00 DUM
|
|
ATOM 1400 H MOL D 467 6.353 1.807 10.772 0.00 0.00 DUM
|
|
ATOM 1401 H MOL D 467 5.219 1.855 11.957 0.00 0.00 DUM
|
|
ATOM 1402 O MOL D 468 15.676 17.326 8.300 0.00 0.00 DUM
|
|
ATOM 1403 H MOL D 468 15.166 17.057 9.103 0.00 0.00 DUM
|
|
ATOM 1404 H MOL D 468 15.818 18.357 8.262 0.00 0.00 DUM
|
|
ATOM 1405 O MOL D 469 2.622 21.651 7.052 0.00 0.00 DUM
|
|
ATOM 1406 H MOL D 469 2.173 21.478 7.994 0.00 0.00 DUM
|
|
ATOM 1407 H MOL D 469 3.216 22.474 7.132 0.00 0.00 DUM
|
|
ATOM 1408 O MOL D 470 24.019 -0.274 1.391 0.00 0.00 DUM
|
|
ATOM 1409 H MOL D 470 23.869 0.497 0.733 0.00 0.00 DUM
|
|
ATOM 1410 H MOL D 470 25.084 -0.428 1.403 0.00 0.00 DUM
|
|
ATOM 1411 O MOL D 471 3.120 12.509 14.511 0.00 0.00 DUM
|
|
ATOM 1412 H MOL D 471 2.364 12.294 13.910 0.00 0.00 DUM
|
|
ATOM 1413 H MOL D 471 4.017 12.279 14.022 0.00 0.00 DUM
|
|
ATOM 1414 O MOL D 472 11.413 24.754 5.661 0.00 0.00 DUM
|
|
ATOM 1415 H MOL D 472 12.303 25.191 6.062 0.00 0.00 DUM
|
|
ATOM 1416 H MOL D 472 11.567 23.787 5.504 0.00 0.00 DUM
|
|
ATOM 1417 O MOL D 473 20.309 1.588 21.075 0.00 0.00 DUM
|
|
ATOM 1418 H MOL D 473 20.618 1.993 21.931 0.00 0.00 DUM
|
|
ATOM 1419 H MOL D 473 20.509 2.284 20.384 0.00 0.00 DUM
|
|
ATOM 1420 O MOL D 474 10.875 5.843 17.884 0.00 0.00 DUM
|
|
ATOM 1421 H MOL D 474 10.839 4.977 17.302 0.00 0.00 DUM
|
|
ATOM 1422 H MOL D 474 11.268 6.501 17.186 0.00 0.00 DUM
|
|
ATOM 1423 O MOL D 475 25.325 20.787 13.002 0.00 0.00 DUM
|
|
ATOM 1424 H MOL D 475 26.321 20.863 12.842 0.00 0.00 DUM
|
|
ATOM 1425 H MOL D 475 24.950 21.634 13.432 0.00 0.00 DUM
|
|
ATOM 1426 O MOL D 476 10.741 8.606 13.944 0.00 0.00 DUM
|
|
ATOM 1427 H MOL D 476 11.662 8.276 13.694 0.00 0.00 DUM
|
|
ATOM 1428 H MOL D 476 10.756 9.339 14.668 0.00 0.00 DUM
|
|
ATOM 1429 O MOL D 477 1.712 3.835 23.734 0.00 0.00 DUM
|
|
ATOM 1430 H MOL D 477 1.538 4.441 24.548 0.00 0.00 DUM
|
|
ATOM 1431 H MOL D 477 1.576 2.932 24.187 0.00 0.00 DUM
|
|
ATOM 1432 O MOL D 478 17.389 6.588 24.511 0.00 0.00 DUM
|
|
ATOM 1433 H MOL D 478 16.781 7.424 24.660 0.00 0.00 DUM
|
|
ATOM 1434 H MOL D 478 18.285 6.789 24.954 0.00 0.00 DUM
|
|
ATOM 1435 O MOL D 479 24.418 6.633 18.779 0.00 0.00 DUM
|
|
ATOM 1436 H MOL D 479 24.897 5.752 18.895 0.00 0.00 DUM
|
|
ATOM 1437 H MOL D 479 24.390 7.025 19.688 0.00 0.00 DUM
|
|
ATOM 1438 O MOL D 480 11.681 9.689 24.420 0.00 0.00 DUM
|
|
ATOM 1439 H MOL D 480 12.191 9.549 23.573 0.00 0.00 DUM
|
|
ATOM 1440 H MOL D 480 10.954 8.966 24.333 0.00 0.00 DUM
|
|
ATOM 1441 O MOL D 481 15.974 15.624 16.208 0.00 0.00 DUM
|
|
ATOM 1442 H MOL D 481 15.706 14.722 15.829 0.00 0.00 DUM
|
|
ATOM 1443 H MOL D 481 16.828 16.002 15.814 0.00 0.00 DUM
|
|
ATOM 1444 O MOL D 482 1.591 11.635 8.339 0.00 0.00 DUM
|
|
ATOM 1445 H MOL D 482 1.051 10.794 8.461 0.00 0.00 DUM
|
|
ATOM 1446 H MOL D 482 2.341 11.614 9.040 0.00 0.00 DUM
|
|
ATOM 1447 O MOL D 483 21.969 20.870 5.262 0.00 0.00 DUM
|
|
ATOM 1448 H MOL D 483 22.606 20.613 4.516 0.00 0.00 DUM
|
|
ATOM 1449 H MOL D 483 21.151 21.201 4.817 0.00 0.00 DUM
|
|
ATOM 1450 O MOL D 484 15.313 10.605 11.221 0.00 0.00 DUM
|
|
ATOM 1451 H MOL D 484 15.794 10.637 12.099 0.00 0.00 DUM
|
|
ATOM 1452 H MOL D 484 14.902 9.629 11.157 0.00 0.00 DUM
|
|
ATOM 1453 O MOL D 485 16.741 0.759 10.877 0.00 0.00 DUM
|
|
ATOM 1454 H MOL D 485 16.063 0.923 10.152 0.00 0.00 DUM
|
|
ATOM 1455 H MOL D 485 16.958 1.608 11.319 0.00 0.00 DUM
|
|
ATOM 1456 O MOL D 486 7.992 16.692 26.368 0.00 0.00 DUM
|
|
ATOM 1457 H MOL D 486 8.148 15.709 26.513 0.00 0.00 DUM
|
|
ATOM 1458 H MOL D 486 8.864 17.043 25.949 0.00 0.00 DUM
|
|
ATOM 1459 O MOL D 487 3.903 15.743 19.077 0.00 0.00 DUM
|
|
ATOM 1460 H MOL D 487 4.201 16.637 18.777 0.00 0.00 DUM
|
|
ATOM 1461 H MOL D 487 4.708 15.216 19.282 0.00 0.00 DUM
|
|
ATOM 1462 O MOL D 488 14.100 9.727 -0.265 0.00 0.00 DUM
|
|
ATOM 1463 H MOL D 488 13.952 10.114 0.676 0.00 0.00 DUM
|
|
ATOM 1464 H MOL D 488 13.197 9.835 -0.749 0.00 0.00 DUM
|
|
ATOM 1465 O MOL D 489 8.714 8.681 7.654 0.00 0.00 DUM
|
|
ATOM 1466 H MOL D 489 8.177 9.553 7.479 0.00 0.00 DUM
|
|
ATOM 1467 H MOL D 489 8.733 8.293 6.761 0.00 0.00 DUM
|
|
ATOM 1468 O MOL D 490 23.410 16.131 16.036 0.00 0.00 DUM
|
|
ATOM 1469 H MOL D 490 23.627 15.283 15.509 0.00 0.00 DUM
|
|
ATOM 1470 H MOL D 490 23.864 16.883 15.623 0.00 0.00 DUM
|
|
ATOM 1471 O MOL D 491 22.043 6.803 10.115 0.00 0.00 DUM
|
|
ATOM 1472 H MOL D 491 22.944 7.325 10.145 0.00 0.00 DUM
|
|
ATOM 1473 H MOL D 491 21.316 7.530 9.996 0.00 0.00 DUM
|
|
ATOM 1474 O MOL D 492 3.797 2.907 22.002 0.00 0.00 DUM
|
|
ATOM 1475 H MOL D 492 4.249 2.301 22.649 0.00 0.00 DUM
|
|
ATOM 1476 H MOL D 492 2.902 3.171 22.434 0.00 0.00 DUM
|
|
ATOM 1477 O MOL D 493 19.006 2.356 3.013 0.00 0.00 DUM
|
|
ATOM 1478 H MOL D 493 19.390 3.305 3.124 0.00 0.00 DUM
|
|
ATOM 1479 H MOL D 493 19.274 1.995 3.951 0.00 0.00 DUM
|
|
ATOM 1480 O MOL D 494 18.840 13.541 8.583 0.00 0.00 DUM
|
|
ATOM 1481 H MOL D 494 18.341 14.310 8.128 0.00 0.00 DUM
|
|
ATOM 1482 H MOL D 494 18.590 13.656 9.548 0.00 0.00 DUM
|
|
ATOM 1483 O MOL D 495 12.124 23.521 11.486 0.00 0.00 DUM
|
|
ATOM 1484 H MOL D 495 11.505 23.799 10.753 0.00 0.00 DUM
|
|
ATOM 1485 H MOL D 495 12.838 22.919 11.054 0.00 0.00 DUM
|
|
ATOM 1486 O MOL D 496 21.071 3.623 12.698 0.00 0.00 DUM
|
|
ATOM 1487 H MOL D 496 21.528 2.860 13.157 0.00 0.00 DUM
|
|
ATOM 1488 H MOL D 496 21.663 4.198 12.111 0.00 0.00 DUM
|
|
ATOM 1489 O MOL D 497 3.818 18.778 25.485 0.00 0.00 DUM
|
|
ATOM 1490 H MOL D 497 4.859 18.772 25.686 0.00 0.00 DUM
|
|
ATOM 1491 H MOL D 497 3.579 17.885 25.081 0.00 0.00 DUM
|
|
ATOM 1492 O MOL D 498 20.502 9.503 16.667 0.00 0.00 DUM
|
|
ATOM 1493 H MOL D 498 21.173 8.971 16.196 0.00 0.00 DUM
|
|
ATOM 1494 H MOL D 498 20.590 9.267 17.661 0.00 0.00 DUM
|
|
ATOM 1495 O MOL D 499 12.550 5.275 23.977 0.00 0.00 DUM
|
|
ATOM 1496 H MOL D 499 13.046 4.386 24.086 0.00 0.00 DUM
|
|
ATOM 1497 H MOL D 499 13.155 5.976 24.478 0.00 0.00 DUM
|
|
ATOM 1498 O MOL D 500 -0.530 3.527 22.024 0.00 0.00 DUM
|
|
ATOM 1499 H MOL D 500 -1.160 3.093 22.753 0.00 0.00 DUM
|
|
ATOM 1500 H MOL D 500 0.263 3.967 22.486 0.00 0.00 DUM
|
|
ATOM 1501 C C6 D 1 18.733 17.973 16.799 0.00 0.00 DUM
|
|
ATOM 1502 C C6 D 1 19.867 16.988 16.293 0.00 0.00 DUM
|
|
ATOM 1503 H C6 D 1 18.864 18.832 16.180 0.00 0.00 DUM
|
|
ATOM 1504 C C6 D 1 19.666 15.499 16.489 0.00 0.00 DUM
|
|
ATOM 1505 H C6 D 1 20.928 17.239 16.503 0.00 0.00 DUM
|
|
ATOM 1506 N C6 D 1 20.751 14.780 16.661 0.00 0.00 DUM
|
|
ATOM 1507 O C6 D 1 18.573 15.035 16.447 0.00 0.00 DUM
|
|
ATOM 1508 C C6 D 1 20.755 13.342 16.776 0.00 0.00 DUM
|
|
ATOM 1509 H C6 D 1 21.712 15.144 16.757 0.00 0.00 DUM
|
|
ATOM 1510 C C6 D 1 20.719 12.821 18.188 0.00 0.00 DUM
|
|
ATOM 1511 C C6 D 1 22.048 12.793 16.132 0.00 0.00 DUM
|
|
ATOM 1512 H C6 D 1 19.884 12.870 16.221 0.00 0.00 DUM
|
|
ATOM 1513 H C6 D 1 21.621 12.987 18.745 0.00 0.00 DUM
|
|
ATOM 1514 H C6 D 1 20.459 11.743 18.194 0.00 0.00 DUM
|
|
ATOM 1515 H C6 D 1 19.977 13.355 18.775 0.00 0.00 DUM
|
|
ATOM 1516 H C6 D 1 22.025 11.714 15.958 0.00 0.00 DUM
|
|
ATOM 1517 H C6 D 1 22.951 12.967 16.844 0.00 0.00 DUM
|
|
ATOM 1518 H C6 D 1 22.097 13.211 15.141 0.00 0.00 DUM
|
|
ATOM 1519 H C6 D 1 17.812 17.599 16.434 0.00 0.00 DUM
|
|
ATOM 1520 H C6 D 1 19.847 17.106 15.209 0.00 0.00 DUM
|
|
ATOM 1521 C C6 D 2 17.290 18.517 18.770 0.00 0.00 DUM
|
|
ATOM 1522 C C6 D 2 18.672 18.103 18.320 0.00 0.00 DUM
|
|
ATOM 1523 H C6 D 2 16.576 17.802 18.421 0.00 0.00 DUM
|
|
ATOM 1524 C C6 D 2 19.851 18.931 18.844 0.00 0.00 DUM
|
|
ATOM 1525 N C6 D 2 20.611 19.671 17.953 0.00 0.00 DUM
|
|
ATOM 1526 O C6 D 2 20.194 18.930 20.028 0.00 0.00 DUM
|
|
ATOM 1527 C C6 D 2 21.652 20.554 18.386 0.00 0.00 DUM
|
|
ATOM 1528 H C6 D 2 20.317 19.745 16.953 0.00 0.00 DUM
|
|
ATOM 1529 C C6 D 2 21.318 21.929 18.091 0.00 0.00 DUM
|
|
ATOM 1530 C C6 D 2 22.916 20.010 17.654 0.00 0.00 DUM
|
|
ATOM 1531 H C6 D 2 21.823 20.508 19.455 0.00 0.00 DUM
|
|
ATOM 1532 H C6 D 2 22.129 22.599 18.201 0.00 0.00 DUM
|
|
ATOM 1533 H C6 D 2 20.534 22.243 18.679 0.00 0.00 DUM
|
|
ATOM 1534 H C6 D 2 20.994 22.022 17.019 0.00 0.00 DUM
|
|
ATOM 1535 H C6 D 2 22.771 19.898 16.600 0.00 0.00 DUM
|
|
ATOM 1536 H C6 D 2 23.251 18.997 17.946 0.00 0.00 DUM
|
|
ATOM 1537 H C6 D 2 23.751 20.729 17.779 0.00 0.00 DUM
|
|
ATOM 1538 H C6 D 2 17.284 18.361 19.844 0.00 0.00 DUM
|
|
ATOM 1539 H C6 D 2 18.877 17.087 18.707 0.00 0.00 DUM
|
|
ATOM 1540 C C6 D 2 15.339 20.230 19.226 0.00 0.00 DUM
|
|
ATOM 1541 C C6 D 2 16.758 19.942 18.534 0.00 0.00 DUM
|
|
ATOM 1542 H C6 D 2 15.473 20.438 20.322 0.00 0.00 DUM
|
|
ATOM 1543 C C6 D 2 16.757 20.477 17.087 0.00 0.00 DUM
|
|
ATOM 1544 N C6 D 2 17.362 21.623 16.940 0.00 0.00 DUM
|
|
ATOM 1545 O C6 D 2 16.230 19.829 16.223 0.00 0.00 DUM
|
|
ATOM 1546 C C6 D 2 17.482 22.439 15.741 0.00 0.00 DUM
|
|
ATOM 1547 H C6 D 2 17.542 22.101 17.845 0.00 0.00 DUM
|
|
ATOM 1548 C C6 D 2 16.090 22.755 15.134 0.00 0.00 DUM
|
|
ATOM 1549 C C6 D 2 18.484 21.918 14.830 0.00 0.00 DUM
|
|
ATOM 1550 H C6 D 2 17.832 23.442 16.030 0.00 0.00 DUM
|
|
ATOM 1551 H C6 D 2 16.204 23.275 14.246 0.00 0.00 DUM
|
|
ATOM 1552 H C6 D 2 15.393 23.259 15.766 0.00 0.00 DUM
|
|
ATOM 1553 H C6 D 2 15.742 21.799 14.771 0.00 0.00 DUM
|
|
ATOM 1554 H C6 D 2 18.299 20.881 14.477 0.00 0.00 DUM
|
|
ATOM 1555 H C6 D 2 19.507 21.876 15.161 0.00 0.00 DUM
|
|
ATOM 1556 H C6 D 2 18.509 22.480 13.891 0.00 0.00 DUM
|
|
ATOM 1557 H C6 D 2 14.988 21.206 18.853 0.00 0.00 DUM
|
|
ATOM 1558 H C6 D 2 17.384 20.705 19.006 0.00 0.00 DUM
|
|
ATOM 1559 C C6 D 2 12.738 19.994 19.110 0.00 0.00 DUM
|
|
ATOM 1560 C C6 D 2 14.149 19.252 18.976 0.00 0.00 DUM
|
|
ATOM 1561 H C6 D 2 12.962 21.053 18.850 0.00 0.00 DUM
|
|
ATOM 1562 C C6 D 2 14.288 18.025 19.809 0.00 0.00 DUM
|
|
ATOM 1563 N C6 D 2 14.319 16.766 19.314 0.00 0.00 DUM
|
|
ATOM 1564 O C6 D 2 14.385 18.192 21.048 0.00 0.00 DUM
|
|
ATOM 1565 C C6 D 2 14.617 15.546 20.163 0.00 0.00 DUM
|
|
ATOM 1566 H C6 D 2 14.295 16.527 18.319 0.00 0.00 DUM
|
|
ATOM 1567 C C6 D 2 16.092 15.446 20.377 0.00 0.00 DUM
|
|
ATOM 1568 C C6 D 2 14.008 14.238 19.570 0.00 0.00 DUM
|
|
ATOM 1569 H C6 D 2 14.023 15.831 21.049 0.00 0.00 DUM
|
|
ATOM 1570 H C6 D 2 16.279 16.348 20.948 0.00 0.00 DUM
|
|
ATOM 1571 H C6 D 2 16.625 15.439 19.422 0.00 0.00 DUM
|
|
ATOM 1572 H C6 D 2 16.476 14.586 20.876 0.00 0.00 DUM
|
|
ATOM 1573 H C6 D 2 14.266 14.058 18.545 0.00 0.00 DUM
|
|
ATOM 1574 H C6 D 2 12.905 14.192 19.563 0.00 0.00 DUM
|
|
ATOM 1575 H C6 D 2 14.417 13.452 20.187 0.00 0.00 DUM
|
|
ATOM 1576 H C6 D 2 12.099 19.552 18.392 0.00 0.00 DUM
|
|
ATOM 1577 H C6 D 2 14.324 18.875 17.934 0.00 0.00 DUM
|
|
ATOM 1578 C C6 D 2 10.586 20.484 20.334 0.00 0.00 DUM
|
|
ATOM 1579 C C6 D 2 12.063 20.090 20.477 0.00 0.00 DUM
|
|
ATOM 1580 H C6 D 2 10.147 19.632 19.788 0.00 0.00 DUM
|
|
ATOM 1581 C C6 D 2 12.776 20.987 21.488 0.00 0.00 DUM
|
|
ATOM 1582 N C6 D 2 13.110 20.438 22.631 0.00 0.00 DUM
|
|
ATOM 1583 O C6 D 2 12.986 22.145 21.281 0.00 0.00 DUM
|
|
ATOM 1584 C C6 D 2 13.814 21.040 23.775 0.00 0.00 DUM
|
|
ATOM 1585 H C6 D 2 12.904 19.465 22.830 0.00 0.00 DUM
|
|
ATOM 1586 C C6 D 2 15.322 20.754 23.606 0.00 0.00 DUM
|
|
ATOM 1587 C C6 D 2 13.324 20.386 25.133 0.00 0.00 DUM
|
|
ATOM 1588 H C6 D 2 13.669 22.130 23.759 0.00 0.00 DUM
|
|
ATOM 1589 H C6 D 2 15.711 21.326 22.711 0.00 0.00 DUM
|
|
ATOM 1590 H C6 D 2 15.558 19.756 23.485 0.00 0.00 DUM
|
|
ATOM 1591 H C6 D 2 15.924 21.172 24.344 0.00 0.00 DUM
|
|
ATOM 1592 H C6 D 2 13.663 19.320 25.141 0.00 0.00 DUM
|
|
ATOM 1593 H C6 D 2 12.248 20.368 25.036 0.00 0.00 DUM
|
|
ATOM 1594 H C6 D 2 13.690 21.064 25.972 0.00 0.00 DUM
|
|
ATOM 1595 H C6 D 2 10.152 20.416 21.334 0.00 0.00 DUM
|
|
ATOM 1596 H C6 D 2 12.010 19.130 20.940 0.00 0.00 DUM
|
|
ATOM 1597 C C6 D 2 8.631 22.203 19.896 0.00 0.00 DUM
|
|
ATOM 1598 C C6 D 2 10.103 21.811 19.666 0.00 0.00 DUM
|
|
ATOM 1599 H C6 D 2 8.501 22.564 20.871 0.00 0.00 DUM
|
|
ATOM 1600 C C6 D 2 10.340 21.750 18.169 0.00 0.00 DUM
|
|
ATOM 1601 N C6 D 2 10.905 22.753 17.484 0.00 0.00 DUM
|
|
ATOM 1602 O C6 D 2 10.034 20.737 17.527 0.00 0.00 DUM
|
|
ATOM 1603 C C6 D 2 11.514 22.820 16.137 0.00 0.00 DUM
|
|
ATOM 1604 H C6 D 2 11.041 23.573 18.016 0.00 0.00 DUM
|
|
ATOM 1605 C C6 D 2 10.635 22.242 15.036 0.00 0.00 DUM
|
|
ATOM 1606 C C6 D 2 12.921 22.042 16.200 0.00 0.00 DUM
|
|
ATOM 1607 H C6 D 2 11.889 23.805 15.990 0.00 0.00 DUM
|
|
ATOM 1608 H C6 D 2 9.677 22.709 15.137 0.00 0.00 DUM
|
|
ATOM 1609 H C6 D 2 10.498 21.184 14.947 0.00 0.00 DUM
|
|
ATOM 1610 H C6 D 2 11.029 22.460 14.051 0.00 0.00 DUM
|
|
ATOM 1611 H C6 D 2 13.028 20.982 16.513 0.00 0.00 DUM
|
|
ATOM 1612 H C6 D 2 13.566 22.592 16.867 0.00 0.00 DUM
|
|
ATOM 1613 H C6 D 2 13.312 22.256 15.221 0.00 0.00 DUM
|
|
ATOM 1614 H C6 D 2 8.450 23.041 19.274 0.00 0.00 DUM
|
|
ATOM 1615 H C6 D 2 10.758 22.531 20.100 0.00 0.00 DUM
|
|
ATOM 1616 C C6 D 2 6.240 21.658 18.978 0.00 0.00 DUM
|
|
ATOM 1617 C C6 D 2 7.554 21.079 19.597 0.00 0.00 DUM
|
|
ATOM 1618 H C6 D 2 6.380 22.437 18.172 0.00 0.00 DUM
|
|
ATOM 1619 C C6 D 2 7.349 20.179 20.776 0.00 0.00 DUM
|
|
ATOM 1620 N C6 D 2 7.660 18.897 20.561 0.00 0.00 DUM
|
|
ATOM 1621 O C6 D 2 6.925 20.498 21.866 0.00 0.00 DUM
|
|
ATOM 1622 C C6 D 2 7.724 17.725 21.339 0.00 0.00 DUM
|
|
ATOM 1623 H C6 D 2 7.886 18.674 19.578 0.00 0.00 DUM
|
|
ATOM 1624 C C6 D 2 6.189 17.312 21.685 0.00 0.00 DUM
|
|
ATOM 1625 C C6 D 2 8.607 17.842 22.530 0.00 0.00 DUM
|
|
ATOM 1626 H C6 D 2 8.146 17.079 20.574 0.00 0.00 DUM
|
|
ATOM 1627 H C6 D 2 5.565 17.114 20.775 0.00 0.00 DUM
|
|
ATOM 1628 H C6 D 2 5.826 18.124 22.300 0.00 0.00 DUM
|
|
ATOM 1629 H C6 D 2 6.013 16.503 22.440 0.00 0.00 DUM
|
|
ATOM 1630 H C6 D 2 8.193 18.452 23.331 0.00 0.00 DUM
|
|
ATOM 1631 H C6 D 2 9.653 18.144 22.247 0.00 0.00 DUM
|
|
ATOM 1632 H C6 D 2 8.636 16.886 23.018 0.00 0.00 DUM
|
|
ATOM 1633 H C6 D 2 5.754 20.801 18.446 0.00 0.00 DUM
|
|
ATOM 1634 H C6 D 2 7.896 20.481 18.759 0.00 0.00 DUM
|
|
ATOM 1635 C C6 D 2 3.792 22.207 19.476 0.00 0.00 DUM
|
|
ATOM 1636 C C6 D 2 5.213 22.303 19.982 0.00 0.00 DUM
|
|
ATOM 1637 H C6 D 2 3.663 21.173 19.108 0.00 0.00 DUM
|
|
ATOM 1638 C C6 D 2 5.725 23.679 20.464 0.00 0.00 DUM
|
|
ATOM 1639 N C6 D 2 5.906 23.794 21.783 0.00 0.00 DUM
|
|
ATOM 1640 O C6 D 2 5.810 24.609 19.660 0.00 0.00 DUM
|
|
ATOM 1641 C C6 D 2 6.470 24.880 22.548 0.00 0.00 DUM
|
|
ATOM 1642 H C6 D 2 5.709 23.019 22.365 0.00 0.00 DUM
|
|
ATOM 1643 C C6 D 2 5.897 26.219 22.186 0.00 0.00 DUM
|
|
ATOM 1644 C C6 D 2 7.953 24.825 22.424 0.00 0.00 DUM
|
|
ATOM 1645 H C6 D 2 6.159 24.661 23.579 0.00 0.00 DUM
|
|
ATOM 1646 H C6 D 2 6.225 26.781 23.024 0.00 0.00 DUM
|
|
ATOM 1647 H C6 D 2 4.760 26.164 22.305 0.00 0.00 DUM
|
|
ATOM 1648 H C6 D 2 6.362 26.725 21.271 0.00 0.00 DUM
|
|
ATOM 1649 H C6 D 2 8.262 23.883 22.855 0.00 0.00 DUM
|
|
ATOM 1650 H C6 D 2 8.354 25.530 23.106 0.00 0.00 DUM
|
|
ATOM 1651 H C6 D 2 8.433 24.994 21.439 0.00 0.00 DUM
|
|
ATOM 1652 H C6 D 2 3.117 22.091 20.325 0.00 0.00 DUM
|
|
ATOM 1653 H C6 D 2 5.147 21.726 20.897 0.00 0.00 DUM
|
|
ATOM 1654 C C6 D 2 1.639 23.405 18.499 0.00 0.00 DUM
|
|
ATOM 1655 C C6 D 2 3.206 23.402 18.569 0.00 0.00 DUM
|
|
ATOM 1656 H C6 D 2 1.258 23.575 19.494 0.00 0.00 DUM
|
|
ATOM 1657 C C6 D 2 3.912 23.542 17.133 0.00 0.00 DUM
|
|
ATOM 1658 N C6 D 2 4.679 24.599 16.838 0.00 0.00 DUM
|
|
ATOM 1659 O C6 D 2 3.683 22.605 16.328 0.00 0.00 DUM
|
|
ATOM 1660 C C6 D 2 5.444 24.758 15.598 0.00 0.00 DUM
|
|
ATOM 1661 H C6 D 2 4.536 25.405 17.469 0.00 0.00 DUM
|
|
ATOM 1662 C C6 D 2 6.950 24.757 15.902 0.00 0.00 DUM
|
|
ATOM 1663 C C6 D 2 5.028 26.146 15.027 0.00 0.00 DUM
|
|
ATOM 1664 H C6 D 2 5.094 23.985 14.928 0.00 0.00 DUM
|
|
ATOM 1665 H C6 D 2 7.279 23.896 16.486 0.00 0.00 DUM
|
|
ATOM 1666 H C6 D 2 7.156 25.667 16.489 0.00 0.00 DUM
|
|
ATOM 1667 H C6 D 2 7.520 24.785 14.931 0.00 0.00 DUM
|
|
ATOM 1668 H C6 D 2 4.728 26.773 15.825 0.00 0.00 DUM
|
|
ATOM 1669 H C6 D 2 4.187 26.099 14.357 0.00 0.00 DUM
|
|
ATOM 1670 H C6 D 2 5.847 26.548 14.505 0.00 0.00 DUM
|
|
ATOM 1671 H C6 D 2 1.381 24.304 17.880 0.00 0.00 DUM
|
|
ATOM 1672 H C6 D 2 3.357 24.210 19.216 0.00 0.00 DUM
|
|
ATOM 1673 C C6 D 3 -0.342 22.410 17.116 0.00 0.00 DUM
|
|
ATOM 1674 C C6 D 3 0.926 22.035 17.846 0.00 0.00 DUM
|
|
ATOM 1675 H C6 D 3 -1.163 22.604 17.823 0.00 0.00 DUM
|
|
ATOM 1676 H C6 D 3 -0.770 21.629 16.543 0.00 0.00 DUM
|
|
ATOM 1677 C C6 D 3 0.562 20.888 18.871 0.00 0.00 DUM
|
|
ATOM 1678 N C6 D 3 0.983 19.639 18.589 0.00 0.00 DUM
|
|
ATOM 1679 O C6 D 3 -0.108 21.134 19.889 0.00 0.00 DUM
|
|
ATOM 1680 C C6 D 3 0.889 18.299 19.162 0.00 0.00 DUM
|
|
ATOM 1681 H C6 D 3 1.521 19.668 17.688 0.00 0.00 DUM
|
|
ATOM 1682 C C6 D 3 -0.496 17.967 19.739 0.00 0.00 DUM
|
|
ATOM 1683 C C6 D 3 1.980 18.077 20.178 0.00 0.00 DUM
|
|
ATOM 1684 H C6 D 3 0.998 17.672 18.297 0.00 0.00 DUM
|
|
ATOM 1685 H C6 D 3 -1.184 17.492 19.045 0.00 0.00 DUM
|
|
ATOM 1686 H C6 D 3 -0.959 18.852 20.189 0.00 0.00 DUM
|
|
ATOM 1687 H C6 D 3 -0.375 17.226 20.558 0.00 0.00 DUM
|
|
ATOM 1688 H C6 D 3 2.033 18.954 20.876 0.00 0.00 DUM
|
|
ATOM 1689 H C6 D 3 2.841 17.933 19.614 0.00 0.00 DUM
|
|
ATOM 1690 H C6 D 3 1.877 17.259 20.860 0.00 0.00 DUM
|
|
ATOM 1691 H C6 D 3 -0.289 23.188 16.360 0.00 0.00 DUM
|
|
ATOM 1692 H C6 D 3 1.480 21.553 17.109 0.00 0.00 DUM
|
|
ATOM 1693 Ca MOL D 1 1.327 22.434 0.274 0.00 0.00 DUM
|
|
ATOM 1694 Cl MOL D 1 1.099 24.928 1.367 0.00 0.00 DUM
|
|
ATOM 1695 Cl MOL D 2 14.330 1.883 9.206 0.00 0.00 DUM
|
|
END
|