NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
654106 | 7ks6 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H5 X6Y 1 H5 A 4 7.410 -9.817 2.448 2 H61 X6Y 1 H6 A 4 6.799 -10.081 5.420 3 H63 X6Y 1 H8 A 4 7.762 -8.830 4.642 4 H62 X6Y 1 H7 A 4 8.335 -10.494 4.660 5 H2 X6Y 1 H2 A 4 3.815 -11.083 2.349 6 H4 X6Y 1 H4 A 4 7.295 -12.146 2.843 7 H3 X6Y 1 H3 A 4 6.081 -11.492 0.861 8 H1 X6Y 1 H1 A 4 4.006 -8.657 2.188 9 HO4 X6Y 1 HO4 A 4 5.873 -13.215 4.001 10 HO1 X6Y 1 HO1 A 4 5.628 -7.799 1.119 11 H5 X6Y 2 H5 C 3 3.995 -12.887 -0.921 12 H61 X6Y 2 H6 C 3 5.876 -13.470 -3.247 13 H63 X6Y 2 H8 C 3 5.438 -11.888 -2.610 14 H62 X6Y 2 H7 C 3 4.222 -12.879 -3.406 15 H2 X6Y 2 H2 C 3 5.675 -16.127 0.401 16 H4 X6Y 2 H4 C 3 3.148 -14.856 -2.037 17 H3 X6Y 2 H3 C 3 3.125 -14.807 0.436 18 H1 X6Y 2 H1 C 3 6.745 -14.007 1.142 19 HO4 X6Y 2 HO4 C 3 4.314 -16.630 -2.505 20 H5 X2Y 3 H5 B 2 2.040 -16.644 2.238 21 H4 X2Y 3 H4 B 2 0.400 -18.382 2.940 22 H3 X2Y 3 H3 B 2 2.361 -19.007 1.389 23 H2 X2Y 3 H2 B 2 0.617 -18.607 -0.778 24 H1 X2Y 3 H1 B 2 1.715 -16.542 -1.370 25 H61 X2Y 3 H6 B 2 -0.785 -15.489 2.228 26 H63 X2Y 3 H8 B 2 0.705 -14.616 2.566 27 H62 X2Y 3 H7 B 2 0.153 -15.870 3.670 28 H5 X34 4 H5 D 1 -1.015 -21.129 -0.249 29 H4 X34 4 H4 D 1 -1.814 -23.407 0.096 30 H3 X34 4 H3 D 1 -0.738 -22.286 1.965 31 H2 X34 4 H2 D 1 1.872 -23.468 0.920 32 H1 X34 4 H1 D 1 2.552 -21.193 0.414 33 H63 X34 4 H8 D 1 -0.347 -22.715 -2.763 34 H62 X34 4 H7 D 1 -0.764 -21.008 -2.671 35 H61 X34 4 H6 D 1 -1.968 -22.225 -2.271 36 HO3 X34 4 HO3 D 1 -0.224 -24.021 3.220 37 HO2 X34 4 HO2 D 1 1.929 -23.411 3.137 Start of MODEL 2 1 H5 X6Y 1 H5 A 4 7.881 -10.599 2.402 2 H61 X6Y 1 H6 A 4 7.261 -10.989 5.360 3 H63 X6Y 1 H8 A 4 8.440 -9.885 4.662 4 H62 X6Y 1 H7 A 4 8.680 -11.623 4.529 5 H2 X6Y 1 H2 A 4 4.113 -11.151 2.302 6 H4 X6Y 1 H4 A 4 7.293 -12.904 2.629 7 H3 X6Y 1 H3 A 4 6.268 -11.796 0.735 8 H1 X6Y 1 H1 A 4 4.749 -8.795 2.337 9 HO4 X6Y 1 HO4 A 4 5.376 -13.600 3.623 10 HO1 X6Y 1 HO1 A 4 6.485 -8.161 1.292 11 H5 X6Y 2 H5 C 3 3.727 -12.761 -0.975 12 H61 X6Y 2 H6 C 3 5.170 -13.443 -3.570 13 H63 X6Y 2 H8 C 3 5.046 -11.860 -2.810 14 H62 X6Y 2 H7 C 3 3.608 -12.632 -3.465 15 H2 X6Y 2 H2 C 3 5.124 -16.274 -0.120 16 H4 X6Y 2 H4 C 3 2.443 -14.508 -2.011 17 H3 X6Y 2 H3 C 3 2.803 -14.671 0.425 18 H1 X6Y 2 H1 C 3 6.538 -14.377 0.642 19 HO4 X6Y 2 HO4 C 3 3.219 -16.362 -2.789 20 H5 X2Y 3 H5 B 2 1.839 -16.634 2.324 21 H4 X2Y 3 H4 B 2 0.133 -18.281 3.100 22 H3 X2Y 3 H3 B 2 1.743 -18.796 1.139 23 H2 X2Y 3 H2 B 2 -0.356 -18.000 -0.542 24 H1 X2Y 3 H1 B 2 0.884 -16.021 -1.140 25 H61 X2Y 3 H6 B 2 -0.787 -15.214 2.965 26 H63 X2Y 3 H8 B 2 0.833 -14.550 3.135 27 H62 X2Y 3 H7 B 2 0.321 -15.888 4.158 28 H5 X34 4 H5 D 1 0.761 -21.283 -1.074 29 H4 X34 4 H4 D 1 -0.032 -23.584 -1.248 30 H3 X34 4 H3 D 1 -1.292 -22.048 0.145 31 H2 X34 4 H2 D 1 0.519 -23.009 2.400 32 H1 X34 4 H1 D 1 1.378 -20.741 2.484 33 H63 X34 4 H8 D 1 3.240 -23.053 -0.959 34 H62 X34 4 H7 D 1 3.133 -21.431 -1.636 35 H61 X34 4 H6 D 1 2.264 -22.756 -2.398 36 HO3 X34 4 HO3 D 1 -2.180 -23.616 1.617 37 HO2 X34 4 HO2 D 1 -1.571 -21.110 2.613 Start of MODEL 3 1 H5 X6Y 1 H5 A 4 7.948 -10.493 2.117 2 H61 X6Y 1 H6 A 4 7.749 -10.940 5.123 3 H63 X6Y 1 H8 A 4 8.751 -9.756 4.290 4 H62 X6Y 1 H7 A 4 9.085 -11.474 4.105 5 H2 X6Y 1 H2 A 4 4.240 -11.283 2.498 6 H4 X6Y 1 H4 A 4 7.572 -12.816 2.367 7 H3 X6Y 1 H3 A 4 6.186 -11.838 0.648 8 H1 X6Y 1 H1 A 4 4.736 -8.895 2.475 9 HO4 X6Y 1 HO4 A 4 6.191 -13.790 3.659 10 HO1 X6Y 1 HO1 A 4 6.285 -8.157 1.224 11 H5 X6Y 2 H5 C 3 3.699 -12.784 -0.878 12 H61 X6Y 2 H6 C 3 5.116 -13.388 -3.507 13 H63 X6Y 2 H8 C 3 5.006 -11.828 -2.698 14 H62 X6Y 2 H7 C 3 3.558 -12.577 -3.360 15 H2 X6Y 2 H2 C 3 5.084 -16.322 -0.077 16 H4 X6Y 2 H4 C 3 2.420 -14.507 -1.973 17 H3 X6Y 2 H3 C 3 2.772 -14.707 0.462 18 H1 X6Y 2 H1 C 3 6.533 -14.431 0.643 19 HO4 X6Y 2 HO4 C 3 3.213 -16.350 -2.777 20 H5 X2Y 3 H5 B 2 1.695 -16.635 2.301 21 H4 X2Y 3 H4 B 2 -0.051 -18.270 3.013 22 H3 X2Y 3 H3 B 2 1.644 -18.803 1.132 23 H2 X2Y 3 H2 B 2 -0.375 -18.023 -0.651 24 H1 X2Y 3 H1 B 2 0.888 -16.046 -1.204 25 H61 X2Y 3 H6 B 2 -0.954 -15.204 2.815 26 H63 X2Y 3 H8 B 2 0.659 -14.541 3.049 27 H62 X2Y 3 H7 B 2 0.100 -15.869 4.060 28 H5 X34 4 H5 D 1 0.791 -21.313 -1.088 29 H4 X34 4 H4 D 1 0.021 -23.621 -1.278 30 H3 X34 4 H3 D 1 -1.322 -22.076 0.024 31 H2 X34 4 H2 D 1 0.366 -22.998 2.387 32 H1 X34 4 H1 D 1 1.210 -20.724 2.489 33 H63 X34 4 H8 D 1 3.270 -23.065 -0.818 34 H62 X34 4 H7 D 1 3.190 -21.452 -1.521 35 H61 X34 4 H6 D 1 2.371 -22.792 -2.311 36 HO3 X34 4 HO3 D 1 -2.281 -23.631 1.464 37 HO2 X34 4 HO2 D 1 -1.737 -21.104 2.463 Start of MODEL 4 1 H5 X6Y 1 H5 A 4 7.925 -10.462 2.132 2 H61 X6Y 1 H6 A 4 7.723 -10.927 5.135 3 H63 X6Y 1 H8 A 4 8.714 -9.728 4.312 4 H62 X6Y 1 H7 A 4 9.068 -11.441 4.117 5 H2 X6Y 1 H2 A 4 4.223 -11.291 2.502 6 H4 X6Y 1 H4 A 4 7.572 -12.788 2.369 7 H3 X6Y 1 H3 A 4 6.177 -11.819 0.652 8 H1 X6Y 1 H1 A 4 4.696 -8.897 2.491 9 HO4 X6Y 1 HO4 A 4 6.207 -13.787 3.652 10 HO1 X6Y 1 HO1 A 4 6.241 -8.138 1.248 11 H5 X6Y 2 H5 C 3 3.702 -12.783 -0.879 12 H61 X6Y 2 H6 C 3 5.122 -13.378 -3.508 13 H63 X6Y 2 H8 C 3 5.002 -11.819 -2.700 14 H62 X6Y 2 H7 C 3 3.558 -12.577 -3.361 15 H2 X6Y 2 H2 C 3 5.115 -16.311 -0.086 16 H4 X6Y 2 H4 C 3 2.434 -14.514 -1.972 17 H3 X6Y 2 H3 C 3 2.793 -14.713 0.463 18 H1 X6Y 2 H1 C 3 6.547 -14.410 0.641 19 HO4 X6Y 2 HO4 C 3 3.238 -16.353 -2.778 20 H5 X2Y 3 H5 B 2 1.716 -16.638 2.299 21 H4 X2Y 3 H4 B 2 -0.035 -18.270 3.012 22 H3 X2Y 3 H3 B 2 1.667 -18.809 1.137 23 H2 X2Y 3 H2 B 2 -0.348 -18.034 -0.653 24 H1 X2Y 3 H1 B 2 0.914 -16.057 -1.208 25 H61 X2Y 3 H6 B 2 -0.933 -15.204 2.806 26 H63 X2Y 3 H8 B 2 0.681 -14.541 3.040 27 H62 X2Y 3 H7 B 2 0.120 -15.866 4.054 28 H5 X34 4 H5 D 1 0.772 -21.321 -1.092 29 H4 X34 4 H4 D 1 -0.034 -23.617 -1.272 30 H3 X34 4 H3 D 1 -1.338 -22.058 0.053 31 H2 X34 4 H2 D 1 0.376 -23.006 2.387 32 H1 X34 4 H1 D 1 1.242 -20.740 2.481 33 H63 X34 4 H8 D 1 3.229 -23.109 -0.852 34 H62 X34 4 H7 D 1 3.164 -21.494 -1.553 35 H61 X34 4 H6 D 1 2.316 -22.822 -2.334 36 HO3 X34 4 HO3 D 1 -2.295 -23.602 1.504 37 HO2 X34 4 HO2 D 1 -1.711 -21.096 2.497 Start of MODEL 5 1 H5 X6Y 1 H5 A 4 7.954 -10.498 2.116 2 H61 X6Y 1 H6 A 4 7.761 -10.960 5.120 3 H63 X6Y 1 H8 A 4 8.761 -9.772 4.292 4 H62 X6Y 1 H7 A 4 9.095 -11.489 4.097 5 H2 X6Y 1 H2 A 4 4.246 -11.290 2.502 6 H4 X6Y 1 H4 A 4 7.579 -12.820 2.354 7 H3 X6Y 1 H3 A 4 6.187 -11.837 0.644 8 H1 X6Y 1 H1 A 4 4.742 -8.902 2.489 9 HO4 X6Y 1 HO4 A 4 6.211 -13.806 3.643 10 HO1 X6Y 1 HO1 A 4 6.289 -8.158 1.239 11 H5 X6Y 2 H5 C 3 3.692 -12.781 -0.875 12 H61 X6Y 2 H6 C 3 5.098 -13.380 -3.512 13 H63 X6Y 2 H8 C 3 4.991 -11.822 -2.699 14 H62 X6Y 2 H7 C 3 3.540 -12.569 -3.357 15 H2 X6Y 2 H2 C 3 5.082 -16.320 -0.089 16 H4 X6Y 2 H4 C 3 2.410 -14.503 -1.969 17 H3 X6Y 2 H3 C 3 2.771 -14.707 0.465 18 H1 X6Y 2 H1 C 3 6.533 -14.431 0.630 19 HO4 X6Y 2 HO4 C 3 3.203 -16.346 -2.779 20 H5 X2Y 3 H5 B 2 1.679 -16.628 2.301 21 H4 X2Y 3 H4 B 2 -0.070 -18.263 3.007 22 H3 X2Y 3 H3 B 2 1.637 -18.794 1.135 23 H2 X2Y 3 H2 B 2 -0.378 -18.023 -0.656 24 H1 X2Y 3 H1 B 2 0.886 -16.047 -1.210 25 H61 X2Y 3 H6 B 2 -0.972 -15.197 2.798 26 H63 X2Y 3 H8 B 2 0.639 -14.533 3.039 27 H62 X2Y 3 H7 B 2 0.075 -15.859 4.050 28 H5 X34 4 H5 D 1 0.797 -21.314 -1.081 29 H4 X34 4 H4 D 1 0.031 -23.624 -1.266 30 H3 X34 4 H3 D 1 -1.317 -22.078 0.031 31 H2 X34 4 H2 D 1 0.371 -22.991 2.398 32 H1 X34 4 H1 D 1 1.207 -20.714 2.496 33 H63 X34 4 H8 D 1 3.278 -23.061 -0.801 34 H62 X34 4 H7 D 1 3.196 -21.450 -1.509 35 H61 X34 4 H6 D 1 2.382 -22.794 -2.297 36 HO3 X34 4 HO3 D 1 -2.275 -23.629 1.474 37 HO2 X34 4 HO2 D 1 -1.737 -21.102 2.470 Start of MODEL 6 1 H5 X6Y 1 H5 A 4 7.742 -10.953 3.119 2 H61 X6Y 1 H6 A 4 6.897 -11.750 5.937 3 H63 X6Y 1 H8 A 4 8.149 -10.595 5.493 4 H62 X6Y 1 H7 A 4 8.359 -12.303 5.122 5 H2 X6Y 1 H2 A 4 3.982 -11.362 2.679 6 H4 X6Y 1 H4 A 4 7.089 -13.245 2.960 7 H3 X6Y 1 H3 A 4 6.230 -11.842 1.184 8 H1 X6Y 1 H1 A 4 4.663 -9.058 3.104 9 HO4 X6Y 1 HO4 A 4 5.081 -14.013 3.700 10 HO1 X6Y 1 HO1 A 4 6.485 -8.335 2.287 11 H5 X6Y 2 H5 C 3 3.800 -12.459 -0.821 12 H61 X6Y 2 H6 C 3 5.422 -12.786 -3.378 13 H63 X6Y 2 H8 C 3 5.272 -11.332 -2.396 14 H62 X6Y 2 H7 C 3 3.873 -11.953 -3.264 15 H2 X6Y 2 H2 C 3 5.048 -16.100 -0.407 16 H4 X6Y 2 H4 C 3 2.564 -13.996 -2.206 17 H3 X6Y 2 H3 C 3 2.718 -14.530 0.201 18 H1 X6Y 2 H1 C 3 6.446 -14.391 0.733 19 HO4 X6Y 2 HO4 C 3 3.388 -15.758 -3.177 20 H5 X2Y 3 H5 B 2 1.573 -16.540 1.712 21 H4 X2Y 3 H4 B 2 0.055 -18.422 2.174 22 H3 X2Y 3 H3 B 2 1.814 -18.514 0.295 23 H2 X2Y 3 H2 B 2 -0.261 -17.774 -1.448 24 H1 X2Y 3 H1 B 2 0.944 -15.703 -1.785 25 H61 X2Y 3 H6 B 2 -1.239 -15.440 2.145 26 H63 X2Y 3 H8 B 2 0.277 -14.647 2.558 27 H62 X2Y 3 H7 B 2 -0.207 -16.111 3.406 28 H5 X34 4 H5 D 1 -0.963 -22.094 -0.025 29 H4 X34 4 H4 D 1 -0.410 -23.827 1.641 30 H3 X34 4 H3 D 1 0.063 -21.505 2.160 31 H2 X34 4 H2 D 1 2.831 -21.982 0.980 32 H1 X34 4 H1 D 1 2.183 -20.560 -0.879 33 H63 X34 4 H8 D 1 0.147 -24.500 -1.533 34 H62 X34 4 H7 D 1 -1.063 -23.360 -2.113 35 H61 X34 4 H6 D 1 -1.437 -24.424 -0.763 36 HO3 X34 4 HO3 D 1 1.816 -21.845 3.624 37 HO2 X34 4 HO2 D 1 3.185 -19.801 1.519 Start of MODEL 7 1 H5 X6Y 1 H5 A 4 7.321 -9.931 2.711 2 H61 X6Y 1 H6 A 4 6.375 -10.223 5.593 3 H63 X6Y 1 H8 A 4 7.478 -9.007 4.958 4 H62 X6Y 1 H7 A 4 7.963 -10.699 4.994 5 H2 X6Y 1 H2 A 4 3.709 -11.020 2.196 6 H4 X6Y 1 H4 A 4 7.024 -12.278 3.046 7 H3 X6Y 1 H3 A 4 6.118 -11.446 0.960 8 H1 X6Y 1 H1 A 4 4.013 -8.600 2.121 9 HO4 X6Y 1 HO4 A 4 5.120 -13.185 3.859 10 HO1 X6Y 1 HO1 A 4 5.771 -7.790 1.250 11 H5 X6Y 2 H5 C 3 3.989 -12.866 -0.987 12 H61 X6Y 2 H6 C 3 5.873 -13.476 -3.302 13 H63 X6Y 2 H8 C 3 5.425 -11.887 -2.690 14 H62 X6Y 2 H7 C 3 4.216 -12.898 -3.472 15 H2 X6Y 2 H2 C 3 5.700 -16.085 0.328 16 H4 X6Y 2 H4 C 3 3.131 -14.846 -2.061 17 H3 X6Y 2 H3 C 3 3.140 -14.785 0.412 18 H1 X6Y 2 H1 C 3 6.735 -13.965 1.108 19 HO4 X6Y 2 HO4 C 3 4.285 -16.620 -2.537 20 H5 X2Y 3 H5 B 2 2.128 -16.635 2.259 21 H4 X2Y 3 H4 B 2 0.515 -18.378 3.008 22 H3 X2Y 3 H3 B 2 2.426 -18.999 1.394 23 H2 X2Y 3 H2 B 2 0.615 -18.592 -0.716 24 H1 X2Y 3 H1 B 2 1.692 -16.524 -1.336 25 H61 X2Y 3 H6 B 2 -0.696 -15.483 2.344 26 H63 X2Y 3 H8 B 2 0.803 -14.609 2.634 27 H62 X2Y 3 H7 B 2 0.289 -15.867 3.754 28 H5 X34 4 H5 D 1 -1.011 -21.109 -0.138 29 H4 X34 4 H4 D 1 -1.778 -23.422 0.199 30 H3 X34 4 H3 D 1 -0.665 -22.296 2.036 31 H2 X34 4 H2 D 1 1.926 -23.462 0.934 32 H1 X34 4 H1 D 1 2.578 -21.182 0.402 33 H63 X34 4 H8 D 1 -0.422 -22.634 -2.708 34 H62 X34 4 H7 D 1 -0.840 -20.931 -2.564 35 H61 X34 4 H6 D 1 -2.027 -22.162 -2.152 36 HO3 X34 4 HO3 D 1 0.164 -24.134 3.120 37 HO2 X34 4 HO2 D 1 2.918 -22.509 2.640 Start of MODEL 8 1 H5 X6Y 1 H5 A 4 7.818 -10.387 2.479 2 H61 X6Y 1 H6 A 4 7.318 -10.965 5.427 3 H63 X6Y 1 H8 A 4 8.307 -9.671 4.761 4 H62 X6Y 1 H7 A 4 8.795 -11.348 4.546 5 H2 X6Y 1 H2 A 4 4.140 -11.377 2.445 6 H4 X6Y 1 H4 A 4 7.568 -12.697 2.628 7 H3 X6Y 1 H3 A 4 6.272 -11.827 0.777 8 H1 X6Y 1 H1 A 4 4.513 -8.966 2.518 9 HO4 X6Y 1 HO4 A 4 6.096 -13.834 3.695 10 HO1 X6Y 1 HO1 A 4 6.079 -8.115 1.376 11 H5 X6Y 2 H5 C 3 3.712 -12.765 -0.844 12 H61 X6Y 2 H6 C 3 5.091 -13.216 -3.525 13 H63 X6Y 2 H8 C 3 5.006 -11.699 -2.634 14 H62 X6Y 2 H7 C 3 3.539 -12.411 -3.294 15 H2 X6Y 2 H2 C 3 5.185 -16.294 -0.214 16 H4 X6Y 2 H4 C 3 2.477 -14.461 -2.011 17 H3 X6Y 2 H3 C 3 2.854 -14.742 0.418 18 H1 X6Y 2 H1 C 3 6.612 -14.410 0.546 19 HO4 X6Y 2 HO4 C 3 3.346 -16.302 -2.840 20 H5 X2Y 3 H5 B 2 1.811 -16.558 2.137 21 H4 X2Y 3 H4 B 2 0.127 -18.219 2.927 22 H3 X2Y 3 H3 B 2 1.786 -18.814 1.040 23 H2 X2Y 3 H2 B 2 -0.246 -18.074 -0.753 24 H1 X2Y 3 H1 B 2 1.011 -16.108 -1.369 25 H61 X2Y 3 H6 B 2 -0.875 -15.194 2.639 26 H63 X2Y 3 H8 B 2 0.716 -14.461 2.805 27 H62 X2Y 3 H7 B 2 0.231 -15.762 3.887 28 H5 X34 4 H5 D 1 0.433 -21.452 -1.160 29 H4 X34 4 H4 D 1 -0.445 -23.738 -0.996 30 H3 X34 4 H3 D 1 -1.402 -22.082 0.496 31 H2 X34 4 H2 D 1 0.797 -22.882 2.450 32 H1 X34 4 H1 D 1 1.683 -20.636 2.141 33 H63 X34 4 H8 D 1 2.807 -23.360 -1.342 34 H62 X34 4 H7 D 1 2.701 -21.765 -2.070 35 H61 X34 4 H6 D 1 1.633 -23.050 -2.620 36 HO3 X34 4 HO3 D 1 -2.075 -23.474 2.179 37 HO2 X34 4 HO2 D 1 -1.235 -20.945 2.839 Start of MODEL 9 1 H5 X6Y 1 H5 A 4 7.622 -10.289 2.882 2 H61 X6Y 1 H6 A 4 7.049 -10.947 5.800 3 H63 X6Y 1 H8 A 4 8.086 -9.665 5.186 4 H62 X6Y 1 H7 A 4 8.536 -11.349 4.944 5 H2 X6Y 1 H2 A 4 3.946 -11.277 2.714 6 H4 X6Y 1 H4 A 4 7.346 -12.636 2.935 7 H3 X6Y 1 H3 A 4 6.145 -11.610 1.109 8 H1 X6Y 1 H1 A 4 4.306 -8.871 2.897 9 HO4 X6Y 1 HO4 A 4 5.867 -13.764 3.964 10 HO1 X6Y 1 HO1 A 4 5.963 -7.981 1.912 11 H5 X6Y 2 H5 C 3 3.936 -12.569 -0.795 12 H61 X6Y 2 H6 C 3 5.724 -12.909 -3.239 13 H63 X6Y 2 H8 C 3 5.415 -11.420 -2.352 14 H62 X6Y 2 H7 C 3 4.114 -12.189 -3.254 15 H2 X6Y 2 H2 C 3 5.410 -16.083 -0.035 16 H4 X6Y 2 H4 C 3 2.922 -14.272 -2.165 17 H3 X6Y 2 H3 C 3 2.952 -14.632 0.276 18 H1 X6Y 2 H1 C 3 6.637 -14.177 0.988 19 HO4 X6Y 2 HO4 C 3 3.923 -16.001 -2.978 20 H5 X2Y 3 H5 B 2 1.781 -16.770 1.803 21 H4 X2Y 3 H4 B 2 0.077 -18.544 2.181 22 H3 X2Y 3 H3 B 2 1.990 -18.877 0.490 23 H2 X2Y 3 H2 B 2 0.198 -18.009 -1.490 24 H1 X2Y 3 H1 B 2 1.398 -15.931 -1.713 25 H61 X2Y 3 H6 B 2 -0.986 -15.513 2.084 26 H63 X2Y 3 H8 B 2 0.547 -14.795 2.564 27 H62 X2Y 3 H7 B 2 -0.054 -16.222 3.400 28 H5 X34 4 H5 D 1 -1.267 -21.940 -0.373 29 H4 X34 4 H4 D 1 -1.207 -23.856 1.139 30 H3 X34 4 H3 D 1 -0.361 -21.730 1.956 31 H2 X34 4 H2 D 1 2.357 -22.620 0.903 32 H1 X34 4 H1 D 1 2.156 -20.893 -0.791 33 H63 X34 4 H8 D 1 -0.426 -24.372 -2.006 34 H62 X34 4 H7 D 1 -1.364 -22.994 -2.573 35 H61 X34 4 H6 D 1 -2.045 -24.082 -1.370 36 HO3 X34 4 HO3 D 1 0.870 -22.430 3.655 37 HO2 X34 4 HO2 D 1 2.689 -21.467 2.734 Start of MODEL 10 1 H5 X6Y 1 H5 A 4 7.421 -9.824 2.438 2 H61 X6Y 1 H6 A 4 6.791 -10.052 5.409 3 H63 X6Y 1 H8 A 4 7.769 -8.817 4.624 4 H62 X6Y 1 H7 A 4 8.328 -10.486 4.662 5 H2 X6Y 1 H2 A 4 3.819 -11.062 2.341 6 H4 X6Y 1 H4 A 4 7.285 -12.148 2.857 7 H3 X6Y 1 H3 A 4 6.087 -11.498 0.863 8 H1 X6Y 1 H1 A 4 4.027 -8.639 2.149 9 HO4 X6Y 1 HO4 A 4 5.840 -13.192 4.017 10 HO1 X6Y 1 HO1 A 4 5.659 -7.809 1.074 11 H5 X6Y 2 H5 C 3 4.002 -12.893 -0.924 12 H61 X6Y 2 H6 C 3 5.897 -13.487 -3.235 13 H63 X6Y 2 H8 C 3 5.459 -11.902 -2.606 14 H62 X6Y 2 H7 C 3 4.245 -12.893 -3.406 15 H2 X6Y 2 H2 C 3 5.665 -16.134 0.424 16 H4 X6Y 2 H4 C 3 3.159 -14.865 -2.038 17 H3 X6Y 2 H3 C 3 3.118 -14.808 0.433 18 H1 X6Y 2 H1 C 3 6.738 -14.014 1.160 19 HO4 X6Y 2 HO4 C 3 4.321 -16.639 -2.496 20 H5 X2Y 3 H5 B 2 2.047 -16.655 2.246 21 H4 X2Y 3 H4 B 2 0.414 -18.394 2.952 22 H3 X2Y 3 H3 B 2 2.363 -19.017 1.388 23 H2 X2Y 3 H2 B 2 0.610 -18.607 -0.769 24 H1 X2Y 3 H1 B 2 1.707 -16.541 -1.359 25 H61 X2Y 3 H6 B 2 -0.777 -15.498 2.254 26 H63 X2Y 3 H8 B 2 0.715 -14.627 2.587 27 H62 X2Y 3 H7 B 2 0.169 -15.885 3.690 28 H5 X34 4 H5 D 1 -1.017 -21.136 -0.262 29 H4 X34 4 H4 D 1 -1.814 -23.416 0.073 30 H3 X34 4 H3 D 1 -0.747 -22.297 1.948 31 H2 X34 4 H2 D 1 1.867 -23.476 0.913 32 H1 X34 4 H1 D 1 2.549 -21.201 0.411 33 H63 X34 4 H8 D 1 -0.337 -22.713 -2.778 34 H62 X34 4 H7 D 1 -0.757 -21.007 -2.682 35 H61 X34 4 H6 D 1 -1.961 -22.228 -2.291 36 HO3 X34 4 HO3 D 1 -0.235 -24.036 3.202 37 HO2 X34 4 HO2 D 1 1.919 -23.424 3.129
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