NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
11083 | 1qwa | cing | 1-original | 7 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H5* G 1 2H5* G 1 1.288 -16.359 -14.484 2 2H5* G 1 1H5* G 1 1.384 -14.716 -15.150 3 H4* G 1 H4* G 1 -0.742 -15.205 -15.848 4 H3* G 1 H3* G 1 -0.951 -14.223 -12.996 5 H2* G 1 H2* G 1 -3.243 -14.774 -12.905 6 2HO* G 1 2HO* G 1 -3.042 -14.808 -15.740 7 H1* G 1 H1* G 1 -3.172 -17.138 -14.264 8 H8 G 1 H8 G 1 -0.263 -17.722 -12.219 9 H1 G 1 H1 G 1 -5.399 -17.164 -8.481 10 1H2 G 1 H21 G 1 -7.074 -16.263 -9.623 11 2H2 G 1 H22 G 1 -6.925 -15.801 -11.303 12 H5T G 1 H5T G 1 1.257 -15.577 -12.538 13 1H5* G 2 2H5* G 2 -4.648 -13.628 -14.555 14 2H5* G 2 1H5* G 2 -4.595 -11.944 -15.110 15 H4* G 2 H4* G 2 -6.764 -12.157 -14.230 16 H3* G 2 H3* G 2 -4.806 -10.890 -12.314 17 H2* G 2 H2* G 2 -6.308 -10.934 -10.527 18 2HO* G 2 2HO* G 2 -8.452 -11.299 -12.380 19 H1* G 2 H1* G 2 -7.809 -13.203 -11.195 20 H8 G 2 H8 G 2 -4.101 -13.927 -11.140 21 H1 G 2 H1 G 2 -6.705 -13.807 -5.324 22 1H2 G 2 H21 G 2 -8.768 -12.997 -5.433 23 2H2 G 2 H22 G 2 -9.498 -12.489 -6.939 24 1H5* A 3 2H5* A 3 -8.074 -9.178 -11.524 25 2H5* A 3 1H5* A 3 -8.228 -7.441 -11.818 26 H4* A 3 H4* A 3 -8.973 -7.867 -9.586 27 H3* A 3 H3* A 3 -6.306 -6.494 -9.958 28 H2* A 3 H2* A 3 -5.830 -6.677 -7.703 29 2HO* A 3 2HO* A 3 -8.495 -6.698 -6.831 30 H1* A 3 H1* A 3 -8.009 -8.573 -7.122 31 H8 A 3 H8 A 3 -4.576 -9.287 -8.678 32 1H6 A 3 H61 A 3 -2.779 -11.091 -3.077 33 2H6 A 3 H62 A 3 -2.312 -10.949 -4.756 34 H2 A 3 H2 A 3 -6.967 -9.498 -2.746 35 1H5* U 4 2H5* U 4 -9.952 -3.954 -7.492 36 2H5* U 4 1H5* U 4 -9.159 -2.382 -7.266 37 H4* U 4 H4* U 4 -10.294 -3.606 -5.227 38 H3* U 4 H3* U 4 -7.664 -2.104 -5.332 39 H2* U 4 H2* U 4 -7.183 -2.663 -3.102 40 2HO* U 4 2HO* U 4 -9.460 -3.818 -2.228 41 H1* U 4 H1* U 4 -8.341 -5.195 -3.016 42 H3 U 4 H3 U 4 -4.004 -5.928 -2.071 43 H5 U 4 H5 U 4 -3.991 -4.894 -6.200 44 H6 U 4 H6 U 4 -6.359 -4.381 -5.992 45 1H5* G 5 2H5* G 5 -10.944 -1.264 -1.593 46 2H5* G 5 1H5* G 5 -10.670 0.489 -1.548 47 H4* G 5 H4* G 5 -10.809 -0.589 0.723 48 H3* G 5 H3* G 5 -8.472 1.037 -0.253 49 H2* G 5 H2* G 5 -7.147 0.535 1.635 50 2HO* G 5 2HO* G 5 -8.234 -0.649 3.453 51 H1* G 5 H1* G 5 -7.738 -2.093 1.929 52 H8 G 5 H8 G 5 -7.605 -0.914 -1.709 53 H1 G 5 H1 G 5 -1.924 -2.557 0.668 54 1H2 G 5 H21 G 5 -2.099 -2.970 2.840 55 2H2 G 5 H22 G 5 -3.615 -2.839 3.702 56 1H5* C 6 2H5* C 6 -8.158 1.050 4.017 57 2H5* C 6 1H5* C 6 -8.238 2.765 4.436 58 H4* C 6 H4* C 6 -6.189 1.457 5.236 59 H3* C 6 H3* C 6 -6.267 4.130 3.825 60 H2* C 6 H2* C 6 -3.989 4.079 3.448 61 2HO* C 6 2HO* C 6 -3.844 4.172 5.874 62 H1* C 6 H1* C 6 -3.643 1.267 4.263 63 1H4 C 6 H41 C 6 -0.178 1.945 -1.044 64 2H4 C 6 H42 C 6 -1.579 2.510 -1.926 65 H5 C 6 H5 C 6 -3.742 2.828 -0.910 66 H6 C 6 H6 C 6 -5.030 2.674 1.172 67 1H5* C 7 2H5* C 7 -4.059 4.960 8.176 68 2H5* C 7 1H5* C 7 -3.880 6.723 8.072 69 H4* C 7 H4* C 7 -1.744 5.161 8.195 70 H3* C 7 H3* C 7 -2.176 7.598 6.427 71 H2* C 7 H2* C 7 0.007 7.311 5.567 72 2HO* C 7 2HO* C 7 1.397 6.911 7.140 73 H1* C 7 H1* C 7 -0.005 4.538 5.467 74 1H4 C 7 H41 C 7 -1.084 6.574 -0.449 75 2H4 C 7 H42 C 7 -2.702 7.083 -0.023 76 H5 C 7 H5 C 7 -3.579 6.958 2.220 77 H6 C 7 H6 C 7 -3.083 6.323 4.539 78 1H5* U 8 2H5* U 8 1.668 8.199 9.276 79 2H5* U 8 1H5* U 8 1.881 9.960 9.250 80 H4* U 8 H4* U 8 3.854 8.361 8.525 81 H3* U 8 H3* U 8 2.956 10.974 7.263 82 H2* U 8 H2* U 8 4.627 10.755 5.597 83 2HO* U 8 2HO* U 8 5.976 8.554 6.231 84 H1* U 8 H1* U 8 4.401 8.055 5.152 85 H3 U 8 H3 U 8 2.905 10.179 1.426 86 H5 U 8 H5 U 8 -0.288 10.478 4.158 87 H6 U 8 H6 U 8 1.166 9.543 5.860 88 1H5* C 9 2H5* C 9 7.475 11.109 6.616 89 2H5* C 9 1H5* C 9 7.715 12.787 7.146 90 H4* C 9 H4* C 9 8.207 12.108 4.645 91 H3* C 9 H3* C 9 7.207 14.563 5.910 92 H2* C 9 H2* C 9 5.664 15.168 4.322 93 2HO* C 9 2HO* C 9 6.560 15.957 2.578 94 H1* C 9 H1* C 9 6.108 12.996 2.381 95 1H4 C 9 H41 C 9 -0.178 13.943 2.422 96 2H4 C 9 H42 C 9 -0.262 13.552 4.126 97 H5 C 9 H5 C 9 1.682 13.076 5.469 98 H6 C 9 H6 C 9 4.121 12.879 5.469 99 1H5* C 10 2H5* C 10 7.478 17.664 3.830 100 2H5* C 10 1H5* C 10 8.279 16.222 3.172 101 H4* C 10 H4* C 10 9.495 19.003 3.457 102 H3* C 10 H3* C 10 7.825 17.980 1.408 103 H2* C 10 H2* C 10 9.296 16.459 0.428 104 2HO* C 10 2HO* C 10 10.340 17.426 -1.239 105 H1* C 10 H1* C 10 11.794 17.937 1.153 106 1H4 C 10 H41 C 10 13.901 12.072 -0.045 107 2H4 C 10 H42 C 10 12.672 11.362 0.978 108 H5 C 10 H5 C 10 10.976 12.652 2.095 109 H6 C 10 H6 C 10 10.107 14.925 2.496 110 1H5* C 11 2H5* C 11 8.170 18.587 -0.856 111 2H5* C 11 1H5* C 11 8.224 20.152 -1.691 112 H4* C 11 H4* C 11 7.068 18.554 -3.102 113 H3* C 11 H3* C 11 6.019 21.016 -2.516 114 H2* C 11 H2* C 11 4.628 20.284 -0.696 115 2HO* C 11 2HO* C 11 3.346 20.495 -3.143 116 H1* C 11 H1* C 11 3.775 17.875 -2.314 117 1H4 C 11 H41 C 11 1.194 16.558 3.341 118 2H4 C 11 H42 C 11 2.767 16.613 4.104 119 H5 C 11 H5 C 11 4.779 17.240 2.936 120 H6 C 11 H6 C 11 5.717 17.946 0.784 121 1H5* G 12 2H5* G 12 5.375 17.368 -5.760 122 2H5* G 12 1H5* G 12 6.044 16.935 -4.174 123 H4* G 12 H4* G 12 7.314 16.454 -6.895 124 H3* G 12 H3* G 12 5.854 14.755 -4.884 125 H2* G 12 H2* G 12 7.439 13.051 -4.914 126 2HO* G 12 2HO* G 12 8.421 14.065 -7.405 127 H1* G 12 H1* G 12 9.761 14.541 -5.546 128 H8 G 12 H8 G 12 11.137 14.184 -3.424 129 H1 G 12 H1 G 12 6.035 13.918 0.386 130 1H2 G 12 H21 G 12 4.197 14.334 -0.766 131 2H2 G 12 H22 G 12 4.216 14.683 -2.480 132 1H5* A 13 2H5* A 13 7.400 11.974 -7.696 133 2H5* A 13 1H5* A 13 6.183 10.692 -7.862 134 H4* A 13 H4* A 13 8.539 10.252 -6.664 135 H3* A 13 H3* A 13 5.780 9.155 -6.168 136 H2* A 13 H2* A 13 6.441 8.084 -4.154 137 2HO* A 13 2HO* A 13 9.164 8.775 -4.610 138 H1* A 13 H1* A 13 7.915 10.074 -3.087 139 H8 A 13 H8 A 13 4.860 11.047 -5.235 140 1H6 A 13 H61 A 13 1.629 10.925 0.014 141 2H6 A 13 H62 A 13 1.563 11.269 -1.700 142 H2 A 13 H2 A 13 5.827 9.627 0.929 143 1H5* G 14 2H5* G 14 8.873 6.596 -5.451 144 2H5* G 14 1H5* G 14 8.691 4.840 -5.615 145 H4* G 14 H4* G 14 9.240 5.924 -3.273 146 H3* G 14 H3* G 14 8.112 3.444 -4.038 147 H2* G 14 H2* G 14 5.891 3.892 -3.437 148 2HO* G 14 2HO* G 14 6.280 2.377 -1.909 149 H1* G 14 H1* G 14 6.679 5.695 -1.165 150 H8 G 14 H8 G 14 4.756 6.454 -4.414 151 H1 G 14 H1 G 14 1.120 6.048 0.801 152 1H2 G 14 H21 G 14 2.364 5.410 2.528 153 2H2 G 14 H22 G 14 4.074 5.085 2.386 154 1H5* U 15 2H5* U 15 10.533 4.151 0.132 155 2H5* U 15 1H5* U 15 11.767 3.007 -0.437 156 H4* U 15 H4* U 15 12.196 2.913 1.821 157 H3* U 15 H3* U 15 9.949 0.951 1.319 158 H2* U 15 H2* U 15 10.108 0.352 3.630 159 2HO* U 15 2HO* U 15 12.630 1.139 3.334 160 H1* U 15 H1* U 15 10.142 2.911 4.532 161 H3 U 15 H3 U 15 5.910 1.779 5.492 162 H5 U 15 H5 U 15 5.904 2.077 1.288 163 H6 U 15 H6 U 15 8.304 2.398 1.369 164 1H5* G 16 2H5* G 16 9.868 -2.585 -0.201 165 2H5* G 16 1H5* G 16 8.766 -1.524 -1.100 166 H4* G 16 H4* G 16 8.803 -2.041 1.914 167 H3* G 16 H3* G 16 6.944 -2.781 -0.447 168 H2* G 16 H2* G 16 5.053 -2.496 0.913 169 2HO* G 16 2HO* G 16 5.867 -2.103 3.383 170 H1* G 16 H1* G 16 5.979 -0.362 2.509 171 H8 G 16 H8 G 16 6.472 0.121 -1.257 172 H1 G 16 H1 G 16 0.603 1.587 0.799 173 1H2 G 16 H21 G 16 0.359 0.955 2.909 174 2H2 G 16 H22 G 16 1.641 0.179 3.812 175 1H5* C 17 2H5* C 17 6.180 -4.314 3.649 176 2H5* C 17 1H5* C 17 6.230 -6.083 3.520 177 H4* C 17 H4* C 17 4.554 -5.485 5.157 178 H3* C 17 H3* C 17 3.546 -6.519 2.490 179 H2* C 17 H2* C 17 1.311 -6.287 3.191 180 2HO* C 17 2HO* C 17 1.363 -5.576 5.732 181 H1* C 17 H1* C 17 1.598 -3.926 4.684 182 1H4 C 17 H41 C 17 -0.994 -2.343 -0.905 183 2H4 C 17 H42 C 17 0.547 -2.531 -1.711 184 H5 C 17 H5 C 17 2.526 -3.316 -0.597 185 H6 C 17 H6 C 17 3.467 -4.094 1.530 186 1H5* A 18 2H5* A 18 1.540 -9.084 6.281 187 2H5* A 18 1H5* A 18 1.266 -10.567 5.345 188 H4* A 18 H4* A 18 -0.734 -9.456 6.621 189 H3* A 18 H3* A 18 -0.662 -10.674 3.869 190 H2* A 18 H2* A 18 -2.853 -9.952 3.367 191 2HO* A 18 2HO* A 18 -3.959 -8.845 5.372 192 H1* A 18 H1* A 18 -2.774 -7.465 4.456 193 H8 A 18 H8 A 18 0.571 -8.338 2.925 194 1H6 A 18 H61 A 18 -1.723 -6.432 -2.473 195 2H6 A 18 H62 A 18 -0.276 -6.942 -1.634 196 H2 A 18 H2 A 18 -5.085 -6.581 0.505 197 1H5* U 19 2H5* U 19 -4.140 -12.939 6.006 198 2H5* U 19 1H5* U 19 -4.398 -14.384 5.007 199 H4* U 19 H4* U 19 -6.243 -12.503 5.097 200 H3* U 19 H3* U 19 -5.221 -14.059 2.711 201 H2* U 19 H2* U 19 -6.589 -12.830 1.240 202 2HO* U 19 2HO* U 19 -8.202 -12.733 3.395 203 H1* U 19 H1* U 19 -6.289 -10.323 2.416 204 H3 U 19 H3 U 19 -4.285 -10.434 -1.717 205 H5 U 19 H5 U 19 -1.439 -12.088 0.987 206 H6 U 19 H6 U 19 -3.167 -12.056 2.689 207 1H5* C 20 2H5* C 20 -9.821 -14.934 2.880 208 2H5* C 20 1H5* C 20 -10.016 -16.444 1.967 209 H4* C 20 H4* C 20 -11.136 -14.213 1.107 210 H3* C 20 H3* C 20 -9.717 -16.373 -0.475 211 H2* C 20 H2* C 20 -10.003 -15.148 -2.476 212 2HO* C 20 2HO* C 20 -11.424 -13.005 -1.800 213 H1* C 20 H1* C 20 -9.511 -12.632 -1.490 214 1H4 C 20 H41 C 20 -4.197 -14.978 -4.166 215 2H4 C 20 H42 C 20 -3.662 -15.502 -2.585 216 H5 C 20 H5 C 20 -5.043 -15.363 -0.612 217 H6 C 20 H6 C 20 -7.231 -14.692 0.267 218 1H5* C 21 2H5* C 21 -12.178 -14.701 -3.264 219 2H5* C 21 1H5* C 21 -13.487 -15.884 -3.454 220 H4* C 21 H4* C 21 -12.740 -15.241 -5.663 221 H3* C 21 H3* C 21 -11.818 -17.967 -4.718 222 H2* C 21 H2* C 21 -10.697 -18.318 -6.706 223 2HO* C 21 2HO* C 21 -11.754 -17.952 -8.489 224 H1* C 21 H1* C 21 -10.257 -15.534 -7.333 225 1H4 C 21 H41 C 21 -4.473 -18.054 -6.586 226 2H4 C 21 H42 C 21 -4.809 -18.445 -4.914 227 H5 C 21 H5 C 21 -6.948 -18.058 -3.871 228 H6 C 21 H6 C 21 -9.226 -17.210 -4.205 229 H3T C 21 H3T C 21 -13.609 -17.460 -6.822 Start of MODEL 2 1 1H5* G 1 2H5* G 1 1.706 -16.446 -13.986 2 2H5* G 1 1H5* G 1 1.611 -14.847 -14.754 3 H4* G 1 H4* G 1 -0.490 -15.573 -15.306 4 H3* G 1 H3* G 1 -0.660 -14.454 -12.501 5 H2* G 1 H2* G 1 -2.885 -15.211 -12.274 6 2HO* G 1 2HO* G 1 -2.893 -15.758 -15.078 7 H1* G 1 H1* G 1 -2.643 -17.630 -13.504 8 H8 G 1 H8 G 1 0.412 -17.720 -11.541 9 H1 G 1 H1 G 1 -4.654 -17.715 -7.669 10 1H2 G 1 H21 G 1 -6.471 -17.122 -8.793 11 2H2 G 1 H22 G 1 -6.435 -16.725 -10.497 12 H5T G 1 H5T G 1 2.298 -15.095 -12.416 13 1H5* G 2 2H5* G 2 -4.482 -14.358 -13.950 14 2H5* G 2 1H5* G 2 -4.652 -12.695 -14.547 15 H4* G 2 H4* G 2 -6.738 -13.178 -13.545 16 H3* G 2 H3* G 2 -4.878 -11.513 -11.855 17 H2* G 2 H2* G 2 -6.208 -11.664 -9.951 18 2HO* G 2 2HO* G 2 -8.552 -12.456 -10.414 19 H1* G 2 H1* G 2 -7.466 -14.136 -10.394 20 H8 G 2 H8 G 2 -3.685 -14.319 -10.520 21 H1 G 2 H1 G 2 -6.000 -14.399 -4.585 22 1H2 G 2 H21 G 2 -8.163 -13.909 -4.607 23 2H2 G 2 H22 G 2 -9.034 -13.563 -6.084 24 1H5* A 3 2H5* A 3 -8.439 -10.136 -11.052 25 2H5* A 3 1H5* A 3 -8.754 -8.428 -11.385 26 H4* A 3 H4* A 3 -9.382 -8.925 -9.107 27 H3* A 3 H3* A 3 -6.981 -7.168 -9.644 28 H2* A 3 H2* A 3 -6.395 -7.182 -7.406 29 2HO* A 3 2HO* A 3 -8.103 -6.022 -6.645 30 H1* A 3 H1* A 3 -8.197 -9.386 -6.664 31 H8 A 3 H8 A 3 -4.800 -9.646 -8.412 32 1H6 A 3 H61 A 3 -2.413 -10.921 -2.890 33 2H6 A 3 H62 A 3 -2.080 -10.792 -4.601 34 H2 A 3 H2 A 3 -6.754 -9.906 -2.324 35 1H5* U 4 2H5* U 4 -10.171 -6.203 -6.842 36 2H5* U 4 1H5* U 4 -10.814 -4.560 -7.041 37 H4* U 4 H4* U 4 -10.908 -4.998 -4.710 38 H3* U 4 H3* U 4 -8.558 -3.272 -5.544 39 H2* U 4 H2* U 4 -7.767 -3.192 -3.333 40 2HO* U 4 2HO* U 4 -9.930 -4.373 -2.068 41 H1* U 4 H1* U 4 -8.528 -5.745 -2.502 42 H3 U 4 H3 U 4 -4.113 -6.119 -2.015 43 H5 U 4 H5 U 4 -4.537 -5.254 -6.160 44 H6 U 4 H6 U 4 -6.928 -5.013 -5.778 45 1H5* G 5 2H5* G 5 -11.734 -1.722 -1.915 46 2H5* G 5 1H5* G 5 -11.391 0.018 -2.015 47 H4* G 5 H4* G 5 -11.442 -1.018 0.335 48 H3* G 5 H3* G 5 -9.290 0.738 -0.826 49 H2* G 5 H2* G 5 -7.857 0.435 1.022 50 2HO* G 5 2HO* G 5 -8.765 -0.695 2.957 51 H1* G 5 H1* G 5 -8.263 -2.213 1.498 52 H8 G 5 H8 G 5 -8.248 -1.238 -2.201 53 H1 G 5 H1 G 5 -2.447 -2.373 0.182 54 1H2 G 5 H21 G 5 -2.570 -2.668 2.376 55 2H2 G 5 H22 G 5 -4.082 -2.584 3.251 56 1H5* C 6 2H5* C 6 -8.911 1.070 3.440 57 2H5* C 6 1H5* C 6 -9.039 2.806 3.748 58 H4* C 6 H4* C 6 -6.911 1.562 4.532 59 H3* C 6 H3* C 6 -7.123 4.220 3.088 60 H2* C 6 H2* C 6 -4.837 4.268 2.748 61 2HO* C 6 2HO* C 6 -3.800 4.395 4.579 62 H1* C 6 H1* C 6 -4.397 1.458 3.490 63 1H4 C 6 H41 C 6 -1.098 2.361 -1.894 64 2H4 C 6 H42 C 6 -2.567 2.755 -2.758 65 H5 C 6 H5 C 6 -4.725 2.898 -1.696 66 H6 C 6 H6 C 6 -5.943 2.692 0.424 67 1H5* C 7 2H5* C 7 -5.091 5.129 7.348 68 2H5* C 7 1H5* C 7 -5.008 6.901 7.396 69 H4* C 7 H4* C 7 -2.789 5.451 7.322 70 H3* C 7 H3* C 7 -3.400 8.003 5.779 71 H2* C 7 H2* C 7 -1.249 7.895 4.836 72 2HO* C 7 2HO* C 7 -0.483 5.902 6.722 73 H1* C 7 H1* C 7 -1.051 5.100 4.688 74 1H4 C 7 H41 C 7 -1.834 7.263 -1.233 75 2H4 C 7 H42 C 7 -3.487 7.724 -0.894 76 H5 C 7 H5 C 7 -4.497 7.509 1.289 77 H6 C 7 H6 C 7 -4.133 6.809 3.611 78 1H5* U 8 2H5* U 8 0.431 7.649 8.452 79 2H5* U 8 1H5* U 8 1.107 9.264 8.728 80 H4* U 8 H4* U 8 2.607 7.340 7.718 81 H3* U 8 H3* U 8 2.482 10.267 6.923 82 H2* U 8 H2* U 8 4.106 9.886 5.239 83 2HO* U 8 2HO* U 8 5.385 8.499 6.739 84 H1* U 8 H1* U 8 3.171 7.471 4.331 85 H3 U 8 H3 U 8 2.562 10.709 1.168 86 H5 U 8 H5 U 8 -0.702 11.138 3.793 87 H6 U 8 H6 U 8 0.353 9.516 5.263 88 1H5* C 9 2H5* C 9 7.045 9.728 7.004 89 2H5* C 9 1H5* C 9 7.445 11.301 7.724 90 H4* C 9 H4* C 9 8.229 10.731 5.271 91 H3* C 9 H3* C 9 7.419 13.223 6.600 92 H2* C 9 H2* C 9 6.288 14.200 4.858 93 2HO* C 9 2HO* C 9 7.417 14.632 2.993 94 H1* C 9 H1* C 9 6.630 12.121 2.811 95 1H4 C 9 H41 C 9 0.637 14.149 2.203 96 2H4 C 9 H42 C 9 0.269 13.673 3.845 97 H5 C 9 H5 C 9 1.913 12.776 5.360 98 H6 C 9 H6 C 9 4.258 12.133 5.627 99 1H5* C 10 2H5* C 10 8.360 16.087 5.503 100 2H5* C 10 1H5* C 10 9.066 14.796 4.509 101 H4* C 10 H4* C 10 10.288 17.526 5.098 102 H3* C 10 H3* C 10 8.421 16.879 3.124 103 H2* C 10 H2* C 10 9.693 15.216 2.014 104 2HO* C 10 2HO* C 10 9.526 16.566 0.325 105 H1* C 10 H1* C 10 12.269 16.735 2.351 106 1H4 C 10 H41 C 10 14.425 11.021 0.625 107 2H4 C 10 H42 C 10 13.366 10.218 1.763 108 H5 C 10 H5 C 10 11.782 11.391 3.147 109 H6 C 10 H6 C 10 10.863 13.594 3.734 110 1H5* C 11 2H5* C 11 10.006 18.338 0.725 111 2H5* C 11 1H5* C 11 10.226 19.975 0.074 112 H4* C 11 H4* C 11 9.680 18.293 -1.687 113 H3* C 11 H3* C 11 8.692 20.861 -1.534 114 H2* C 11 H2* C 11 6.615 20.330 -0.489 115 2HO* C 11 2HO* C 11 6.502 20.497 -3.234 116 H1* C 11 H1* C 11 6.274 17.869 -2.200 117 1H4 C 11 H41 C 11 1.688 17.130 2.137 118 2H4 C 11 H42 C 11 2.846 17.268 3.441 119 H5 C 11 H5 C 11 5.180 17.746 3.087 120 H6 C 11 H6 C 11 6.909 18.195 1.409 121 1H5* G 12 2H5* G 12 8.332 17.574 -4.820 122 2H5* G 12 1H5* G 12 8.824 16.977 -3.223 123 H4* G 12 H4* G 12 9.981 16.113 -5.903 124 H3* G 12 H3* G 12 7.882 15.009 -4.063 125 H2* G 12 H2* G 12 8.796 12.875 -3.972 126 2HO* G 12 2HO* G 12 10.152 13.482 -6.422 127 H1* G 12 H1* G 12 11.528 13.467 -4.426 128 H8 G 12 H8 G 12 12.693 13.181 -2.093 129 H1 G 12 H1 G 12 7.120 13.333 0.993 130 1H2 G 12 H21 G 12 5.503 13.954 -0.383 131 2H2 G 12 H22 G 12 5.791 14.334 -2.067 132 1H5* A 13 2H5* A 13 7.354 12.867 -7.746 133 2H5* A 13 1H5* A 13 5.853 11.919 -7.802 134 H4* A 13 H4* A 13 8.156 10.887 -6.888 135 H3* A 13 H3* A 13 5.277 10.396 -6.151 136 H2* A 13 H2* A 13 5.844 9.137 -4.238 137 2HO* A 13 2HO* A 13 8.356 8.917 -5.535 138 H1* A 13 H1* A 13 7.889 10.636 -3.289 139 H8 A 13 H8 A 13 5.587 13.217 -4.576 140 1H6 A 13 H61 A 13 1.928 12.273 0.287 141 2H6 A 13 H62 A 13 2.267 13.326 -1.069 142 H2 A 13 H2 A 13 4.925 8.929 0.126 143 1H5* G 14 2H5* G 14 7.734 7.337 -6.258 144 2H5* G 14 1H5* G 14 7.500 5.587 -6.434 145 H4* G 14 H4* G 14 8.113 6.638 -4.088 146 H3* G 14 H3* G 14 6.919 4.201 -4.853 147 H2* G 14 H2* G 14 4.712 4.641 -4.213 148 2HO* G 14 2HO* G 14 6.213 3.908 -1.985 149 H1* G 14 H1* G 14 5.439 6.526 -2.001 150 H8 G 14 H8 G 14 3.798 7.352 -5.370 151 H1 G 14 H1 G 14 -0.271 6.922 -0.484 152 1H2 G 14 H21 G 14 0.787 6.197 1.311 153 2H2 G 14 H22 G 14 2.493 5.816 1.315 154 1H5* U 15 2H5* U 15 9.350 5.111 -0.977 155 2H5* U 15 1H5* U 15 10.897 4.441 -1.537 156 H4* U 15 H4* U 15 11.397 4.140 0.639 157 H3* U 15 H3* U 15 9.226 2.064 0.302 158 H2* U 15 H2* U 15 9.533 1.545 2.615 159 2HO* U 15 2HO* U 15 11.849 1.751 2.606 160 H1* U 15 H1* U 15 9.530 4.138 3.441 161 H3 U 15 H3 U 15 5.434 2.887 4.762 162 H5 U 15 H5 U 15 5.108 2.997 0.561 163 H6 U 15 H6 U 15 7.491 3.412 0.450 164 1H5* G 16 2H5* G 16 9.249 -1.561 -0.958 165 2H5* G 16 1H5* G 16 8.031 -0.639 -1.860 166 H4* G 16 H4* G 16 8.294 -0.878 1.181 167 H3* G 16 H3* G 16 6.378 -1.997 -0.973 168 H2* G 16 H2* G 16 4.532 -1.693 0.443 169 2HO* G 16 2HO* G 16 5.338 -1.032 2.822 170 H1* G 16 H1* G 16 5.378 0.635 1.798 171 H8 G 16 H8 G 16 5.659 0.890 -1.993 172 H1 G 16 H1 G 16 -0.243 1.952 0.198 173 1H2 G 16 H21 G 16 -0.363 1.430 2.346 174 2H2 G 16 H22 G 16 1.010 0.823 3.246 175 1H5* C 17 2H5* C 17 5.775 -3.140 3.213 176 2H5* C 17 1H5* C 17 6.035 -4.895 3.282 177 H4* C 17 H4* C 17 4.288 -4.386 4.842 178 H3* C 17 H3* C 17 3.371 -5.649 2.241 179 H2* C 17 H2* C 17 1.130 -5.590 2.961 180 2HO* C 17 2HO* C 17 2.290 -5.341 5.549 181 H1* C 17 H1* C 17 1.210 -3.130 4.314 182 1H4 C 17 H41 C 17 -1.573 -2.122 -1.325 183 2H4 C 17 H42 C 17 -0.027 -2.211 -2.137 184 H5 C 17 H5 C 17 2.022 -2.743 -1.008 185 H6 C 17 H6 C 17 3.053 -3.307 1.145 186 1H5* A 18 2H5* A 18 1.743 -7.380 5.916 187 2H5* A 18 1H5* A 18 1.959 -9.142 5.918 188 H4* A 18 H4* A 18 -0.266 -8.610 6.740 189 H3* A 18 H3* A 18 0.015 -9.961 4.062 190 H2* A 18 H2* A 18 -2.300 -9.814 3.615 191 2HO* A 18 2HO* A 18 -2.702 -10.410 5.983 192 H1* A 18 H1* A 18 -2.777 -7.305 4.518 193 H8 A 18 H8 A 18 0.652 -7.741 2.895 194 1H6 A 18 H61 A 18 -2.085 -6.351 -2.450 195 2H6 A 18 H62 A 18 -0.553 -6.651 -1.660 196 H2 A 18 H2 A 18 -5.274 -6.775 0.692 197 1H5* U 19 2H5* U 19 -2.974 -12.590 6.448 198 2H5* U 19 1H5* U 19 -3.072 -14.112 5.539 199 H4* U 19 H4* U 19 -5.146 -12.472 5.624 200 H3* U 19 H3* U 19 -4.052 -14.059 3.284 201 H2* U 19 H2* U 19 -5.671 -13.136 1.842 202 2HO* U 19 2HO* U 19 -7.082 -12.905 4.207 203 H1* U 19 H1* U 19 -5.645 -10.533 2.842 204 H3 U 19 H3 U 19 -3.940 -10.542 -1.407 205 H5 U 19 H5 U 19 -0.734 -11.808 1.094 206 H6 U 19 H6 U 19 -2.318 -11.906 2.929 207 1H5* C 20 2H5* C 20 -8.451 -15.594 3.839 208 2H5* C 20 1H5* C 20 -8.476 -17.161 3.005 209 H4* C 20 H4* C 20 -9.954 -15.157 2.123 210 H3* C 20 H3* C 20 -8.330 -17.176 0.550 211 H2* C 20 H2* C 20 -8.897 -16.107 -1.482 212 2HO* C 20 2HO* C 20 -10.557 -14.357 -1.387 213 H1* C 20 H1* C 20 -8.723 -13.499 -0.635 214 1H4 C 20 H41 C 20 -3.282 -15.160 -3.546 215 2H4 C 20 H42 C 20 -2.590 -15.549 -1.986 216 H5 C 20 H5 C 20 -3.864 -15.537 0.060 217 H6 C 20 H6 C 20 -6.074 -15.152 1.051 218 1H5* C 21 2H5* C 21 -11.181 -16.335 -2.001 219 2H5* C 21 1H5* C 21 -12.276 -17.727 -2.119 220 H4* C 21 H4* C 21 -11.718 -17.007 -4.367 221 H3* C 21 H3* C 21 -10.353 -19.539 -3.417 222 H2* C 21 H2* C 21 -9.254 -19.752 -5.436 223 2HO* C 21 2HO* C 21 -10.380 -18.120 -7.165 224 H1* C 21 H1* C 21 -9.267 -16.948 -6.120 225 1H4 C 21 H41 C 21 -3.143 -18.535 -5.510 226 2H4 C 21 H42 C 21 -3.363 -18.903 -3.815 227 H5 C 21 H5 C 21 -5.502 -18.809 -2.710 228 H6 C 21 H6 C 21 -7.892 -18.337 -2.991 229 H3T C 21 H3T C 21 -12.060 -19.877 -5.409 Start of MODEL 3 1 1H5* G 1 2H5* G 1 1.930 -15.931 -14.103 2 2H5* G 1 1H5* G 1 1.723 -14.358 -14.901 3 H4* G 1 H4* G 1 -0.329 -15.232 -15.417 4 H3* G 1 H3* G 1 -0.549 -14.064 -12.636 5 H2* G 1 H2* G 1 -2.712 -14.963 -12.363 6 2HO* G 1 2HO* G 1 -3.086 -16.024 -14.873 7 H1* G 1 H1* G 1 -2.331 -17.385 -13.565 8 H8 G 1 H8 G 1 0.728 -17.297 -11.634 9 H1 G 1 H1 G 1 -4.291 -17.457 -7.704 10 1H2 G 1 H21 G 1 -6.144 -16.958 -8.815 11 2H2 G 1 H22 G 1 -6.144 -16.583 -10.523 12 H5T G 1 H5T G 1 1.907 -14.988 -12.236 13 1H5* G 2 2H5* G 2 -4.381 -14.219 -13.997 14 2H5* G 2 1H5* G 2 -4.648 -12.593 -14.656 15 H4* G 2 H4* G 2 -6.690 -13.085 -13.610 16 H3* G 2 H3* G 2 -4.853 -11.396 -11.916 17 H2* G 2 H2* G 2 -6.189 -11.580 -10.015 18 2HO* G 2 2HO* G 2 -8.513 -12.513 -10.612 19 H1* G 2 H1* G 2 -7.370 -14.083 -10.463 20 H8 G 2 H8 G 2 -3.576 -14.119 -10.611 21 H1 G 2 H1 G 2 -5.883 -14.392 -4.677 22 1H2 G 2 H21 G 2 -8.069 -13.998 -4.695 23 2H2 G 2 H22 G 2 -8.951 -13.669 -6.168 24 1H5* A 3 2H5* A 3 -8.180 -10.146 -10.996 25 2H5* A 3 1H5* A 3 -8.709 -8.507 -11.400 26 H4* A 3 H4* A 3 -9.151 -8.738 -9.101 27 H3* A 3 H3* A 3 -6.649 -7.192 -9.790 28 H2* A 3 H2* A 3 -5.980 -7.174 -7.576 29 2HO* A 3 2HO* A 3 -8.513 -6.291 -7.345 30 H1* A 3 H1* A 3 -7.968 -9.173 -6.692 31 H8 A 3 H8 A 3 -4.542 -9.643 -8.398 32 1H6 A 3 H61 A 3 -2.389 -11.166 -2.846 33 2H6 A 3 H62 A 3 -1.999 -11.009 -4.543 34 H2 A 3 H2 A 3 -6.692 -9.964 -2.378 35 1H5* U 4 2H5* U 4 -10.397 -4.888 -7.368 36 2H5* U 4 1H5* U 4 -9.820 -3.226 -7.136 37 H4* U 4 H4* U 4 -10.784 -4.591 -5.099 38 H3* U 4 H3* U 4 -8.380 -2.753 -5.210 39 H2* U 4 H2* U 4 -7.811 -3.248 -2.988 40 2HO* U 4 2HO* U 4 -9.793 -4.688 -1.990 41 H1* U 4 H1* U 4 -8.604 -5.912 -2.900 42 H3 U 4 H3 U 4 -4.181 -5.961 -2.016 43 H5 U 4 H5 U 4 -4.399 -5.094 -6.178 44 H6 U 4 H6 U 4 -6.811 -4.903 -5.925 45 1H5* G 5 2H5* G 5 -11.417 -2.615 -1.289 46 2H5* G 5 1H5* G 5 -11.706 -0.870 -1.451 47 H4* G 5 H4* G 5 -11.488 -1.461 0.913 48 H3* G 5 H3* G 5 -9.407 0.261 -0.417 49 H2* G 5 H2* G 5 -7.991 0.254 1.478 50 2HO* G 5 2HO* G 5 -10.194 -0.880 2.921 51 H1* G 5 H1* G 5 -8.184 -2.350 2.171 52 H8 G 5 H8 G 5 -8.377 -1.583 -1.591 53 H1 G 5 H1 G 5 -2.460 -2.515 0.581 54 1H2 G 5 H21 G 5 -2.485 -2.727 2.788 55 2H2 G 5 H22 G 5 -3.961 -2.638 3.724 56 1H5* C 6 2H5* C 6 -9.147 1.053 3.631 57 2H5* C 6 1H5* C 6 -9.254 2.804 3.857 58 H4* C 6 H4* C 6 -7.143 1.579 4.701 59 H3* C 6 H3* C 6 -7.307 4.154 3.104 60 H2* C 6 H2* C 6 -5.010 4.166 2.834 61 2HO* C 6 2HO* C 6 -3.764 4.046 4.562 62 H1* C 6 H1* C 6 -4.630 1.382 3.677 63 1H4 C 6 H41 C 6 -1.273 2.099 -1.706 64 2H4 C 6 H42 C 6 -2.739 2.433 -2.601 65 H5 C 6 H5 C 6 -4.911 2.593 -1.569 66 H6 C 6 H6 C 6 -6.149 2.464 0.546 67 1H5* C 7 2H5* C 7 -5.235 5.178 7.190 68 2H5* C 7 1H5* C 7 -5.136 6.949 7.249 69 H4* C 7 H4* C 7 -2.934 5.487 7.069 70 H3* C 7 H3* C 7 -3.586 8.044 5.545 71 H2* C 7 H2* C 7 -1.473 7.915 4.534 72 2HO* C 7 2HO* C 7 -0.788 6.918 6.942 73 H1* C 7 H1* C 7 -1.286 5.105 4.449 74 1H4 C 7 H41 C 7 -2.036 7.173 -1.516 75 2H4 C 7 H42 C 7 -3.687 7.647 -1.189 76 H5 C 7 H5 C 7 -4.703 7.471 0.994 77 H6 C 7 H6 C 7 -4.347 6.818 3.331 78 1H5* U 8 2H5* U 8 0.219 7.769 8.252 79 2H5* U 8 1H5* U 8 0.948 9.369 8.480 80 H4* U 8 H4* U 8 2.383 7.369 7.528 81 H3* U 8 H3* U 8 2.359 10.274 6.631 82 H2* U 8 H2* U 8 3.989 9.763 4.982 83 2HO* U 8 2HO* U 8 5.071 8.266 6.646 84 H1* U 8 H1* U 8 2.937 7.391 4.127 85 H3 U 8 H3 U 8 2.466 10.669 0.960 86 H5 U 8 H5 U 8 -0.846 11.125 3.522 87 H6 U 8 H6 U 8 0.165 9.488 5.009 88 1H5* C 9 2H5* C 9 6.960 9.662 6.837 89 2H5* C 9 1H5* C 9 7.319 11.239 7.570 90 H4* C 9 H4* C 9 8.225 10.666 5.159 91 H3* C 9 H3* C 9 7.222 13.191 6.373 92 H2* C 9 H2* C 9 6.540 14.191 4.416 93 2HO* C 9 2HO* C 9 8.487 12.945 2.810 94 H1* C 9 H1* C 9 6.767 11.949 2.577 95 1H4 C 9 H41 C 9 0.980 14.494 1.786 96 2H4 C 9 H42 C 9 0.469 13.854 3.331 97 H5 C 9 H5 C 9 1.955 12.704 4.844 98 H6 C 9 H6 C 9 4.243 11.923 5.196 99 1H5* C 10 2H5* C 10 8.483 16.064 5.652 100 2H5* C 10 1H5* C 10 9.154 14.733 4.686 101 H4* C 10 H4* C 10 10.530 17.364 5.376 102 H3* C 10 H3* C 10 8.723 16.871 3.298 103 H2* C 10 H2* C 10 9.948 15.161 2.206 104 2HO* C 10 2HO* C 10 10.119 16.368 0.469 105 H1* C 10 H1* C 10 12.591 16.501 2.728 106 1H4 C 10 H41 C 10 14.462 10.715 0.906 107 2H4 C 10 H42 C 10 13.372 9.951 2.042 108 H5 C 10 H5 C 10 11.840 11.184 3.434 109 H6 C 10 H6 C 10 11.014 13.419 4.031 110 1H5* C 11 2H5* C 11 10.390 18.338 1.001 111 2H5* C 11 1H5* C 11 10.615 19.980 0.366 112 H4* C 11 H4* C 11 9.978 18.408 -1.427 113 H3* C 11 H3* C 11 8.864 20.919 -1.039 114 H2* C 11 H2* C 11 6.820 20.243 -0.054 115 2HO* C 11 2HO* C 11 5.760 21.048 -1.712 116 H1* C 11 H1* C 11 6.601 17.792 -1.789 117 1H4 C 11 H41 C 11 2.247 16.718 2.715 118 2H4 C 11 H42 C 11 3.451 16.895 3.972 119 H5 C 11 H5 C 11 5.738 17.510 3.533 120 H6 C 11 H6 C 11 7.365 18.088 1.794 121 1H5* G 12 2H5* G 12 8.454 17.975 -4.455 122 2H5* G 12 1H5* G 12 9.213 17.186 -3.059 123 H4* G 12 H4* G 12 10.068 16.750 -5.944 124 H3* G 12 H3* G 12 7.950 15.469 -4.247 125 H2* G 12 H2* G 12 8.710 13.297 -4.574 126 2HO* G 12 2HO* G 12 10.373 13.859 -6.762 127 H1* G 12 H1* G 12 11.464 13.778 -5.029 128 H8 G 12 H8 G 12 12.662 12.942 -2.867 129 H1 G 12 H1 G 12 7.286 13.146 0.550 130 1H2 G 12 H21 G 12 5.685 14.145 -0.601 131 2H2 G 12 H22 G 12 5.933 14.765 -2.219 132 1H5* A 13 2H5* A 13 6.629 11.865 -8.521 133 2H5* A 13 1H5* A 13 5.608 12.411 -7.174 134 H4* A 13 H4* A 13 8.152 10.762 -7.060 135 H3* A 13 H3* A 13 5.234 10.367 -6.370 136 H2* A 13 H2* A 13 5.793 9.121 -4.444 137 2HO* A 13 2HO* A 13 8.558 9.134 -4.991 138 H1* A 13 H1* A 13 7.860 10.647 -3.542 139 H8 A 13 H8 A 13 5.529 13.217 -4.759 140 1H6 A 13 H61 A 13 1.912 12.199 0.116 141 2H6 A 13 H62 A 13 2.239 13.268 -1.230 142 H2 A 13 H2 A 13 4.919 8.868 -0.098 143 1H5* G 14 2H5* G 14 7.616 7.301 -6.416 144 2H5* G 14 1H5* G 14 7.393 5.546 -6.559 145 H4* G 14 H4* G 14 7.966 6.649 -4.225 146 H3* G 14 H3* G 14 6.808 4.189 -4.959 147 H2* G 14 H2* G 14 4.581 4.638 -4.397 148 2HO* G 14 2HO* G 14 5.580 4.518 -1.735 149 H1* G 14 H1* G 14 5.259 6.539 -2.183 150 H8 G 14 H8 G 14 3.663 7.360 -5.574 151 H1 G 14 H1 G 14 -0.472 6.885 -0.747 152 1H2 G 14 H21 G 14 0.568 6.163 1.062 153 2H2 G 14 H22 G 14 2.276 5.794 1.085 154 1H5* U 15 2H5* U 15 9.206 5.200 -1.113 155 2H5* U 15 1H5* U 15 10.709 4.382 -1.588 156 H4* U 15 H4* U 15 11.145 4.324 0.632 157 H3* U 15 H3* U 15 9.017 2.192 0.365 158 H2* U 15 H2* U 15 9.250 1.831 2.718 159 2HO* U 15 2HO* U 15 10.927 2.673 3.890 160 H1* U 15 H1* U 15 9.163 4.469 3.369 161 H3 U 15 H3 U 15 5.034 3.226 4.587 162 H5 U 15 H5 U 15 4.899 3.043 0.379 163 H6 U 15 H6 U 15 7.275 3.506 0.346 164 1H5* G 16 2H5* G 16 9.108 -1.419 -0.856 165 2H5* G 16 1H5* G 16 7.914 -0.502 -1.796 166 H4* G 16 H4* G 16 8.101 -0.697 1.254 167 H3* G 16 H3* G 16 6.254 -1.886 -0.923 168 H2* G 16 H2* G 16 4.376 -1.595 0.451 169 2HO* G 16 2HO* G 16 5.898 -0.987 2.762 170 H1* G 16 H1* G 16 5.149 0.776 1.775 171 H8 G 16 H8 G 16 5.501 0.959 -2.018 172 H1 G 16 H1 G 16 -0.473 1.889 0.026 173 1H2 G 16 H21 G 16 -0.622 1.420 2.186 174 2H2 G 16 H22 G 16 0.750 0.881 3.128 175 1H5* C 17 2H5* C 17 5.819 -3.053 3.408 176 2H5* C 17 1H5* C 17 6.043 -4.814 3.416 177 H4* C 17 H4* C 17 4.396 -4.228 5.098 178 H3* C 17 H3* C 17 3.391 -5.625 2.602 179 H2* C 17 H2* C 17 1.177 -5.570 3.406 180 2HO* C 17 2HO* C 17 0.989 -4.732 5.764 181 H1* C 17 H1* C 17 1.253 -3.042 4.611 182 1H4 C 17 H41 C 17 -1.642 -2.350 -1.010 183 2H4 C 17 H42 C 17 -0.117 -2.491 -1.854 184 H5 C 17 H5 C 17 1.960 -2.960 -0.743 185 H6 C 17 H6 C 17 3.039 -3.397 1.416 186 1H5* A 18 2H5* A 18 1.378 -7.010 6.169 187 2H5* A 18 1H5* A 18 1.814 -8.722 6.334 188 H4* A 18 H4* A 18 -0.519 -8.552 6.843 189 H3* A 18 H3* A 18 0.159 -9.737 4.153 190 H2* A 18 H2* A 18 -2.126 -9.890 3.556 191 2HO* A 18 2HO* A 18 -3.779 -9.785 5.068 192 H1* A 18 H1* A 18 -2.977 -7.490 4.497 193 H8 A 18 H8 A 18 0.564 -7.637 3.025 194 1H6 A 18 H61 A 18 -2.030 -6.141 -2.369 195 2H6 A 18 H62 A 18 -0.516 -6.415 -1.536 196 H2 A 18 H2 A 18 -5.310 -6.792 0.637 197 1H5* U 19 2H5* U 19 -2.841 -12.533 6.463 198 2H5* U 19 1H5* U 19 -2.861 -14.065 5.566 199 H4* U 19 H4* U 19 -5.035 -12.565 5.694 200 H3* U 19 H3* U 19 -3.896 -14.097 3.343 201 H2* U 19 H2* U 19 -5.602 -13.292 1.924 202 2HO* U 19 2HO* U 19 -7.535 -12.573 2.667 203 H1* U 19 H1* U 19 -5.674 -10.675 2.855 204 H3 U 19 H3 U 19 -3.918 -10.604 -1.352 205 H5 U 19 H5 U 19 -0.736 -11.972 1.127 206 H6 U 19 H6 U 19 -2.320 -12.058 2.963 207 1H5* C 20 2H5* C 20 -8.359 -15.580 3.765 208 2H5* C 20 1H5* C 20 -8.279 -17.179 3.000 209 H4* C 20 H4* C 20 -9.847 -15.306 2.003 210 H3* C 20 H3* C 20 -8.063 -17.271 0.534 211 H2* C 20 H2* C 20 -8.695 -16.324 -1.541 212 2HO* C 20 2HO* C 20 -10.866 -15.274 -0.038 213 H1* C 20 H1* C 20 -8.696 -13.680 -0.789 214 1H4 C 20 H41 C 20 -3.144 -15.047 -3.632 215 2H4 C 20 H42 C 20 -2.452 -15.435 -2.072 216 H5 C 20 H5 C 20 -3.742 -15.507 -0.036 217 H6 C 20 H6 C 20 -5.974 -15.222 0.941 218 1H5* C 21 2H5* C 21 -11.108 -16.493 -1.976 219 2H5* C 21 1H5* C 21 -12.058 -17.977 -2.185 220 H4* C 21 H4* C 21 -11.565 -17.019 -4.376 221 H3* C 21 H3* C 21 -10.056 -19.535 -3.617 222 H2* C 21 H2* C 21 -8.965 -19.536 -5.652 223 2HO* C 21 2HO* C 21 -10.848 -17.752 -6.816 224 H1* C 21 H1* C 21 -9.144 -16.693 -6.122 225 1H4 C 21 H41 C 21 -2.949 -18.080 -5.709 226 2H4 C 21 H42 C 21 -3.113 -18.455 -4.008 227 H5 C 21 H5 C 21 -5.226 -18.447 -2.851 228 H6 C 21 H6 C 21 -7.638 -18.076 -3.074 229 H3T C 21 H3T C 21 -12.520 -19.028 -4.256 Start of MODEL 4 1 1H5* G 1 2H5* G 1 0.199 -17.033 -14.263 2 2H5* G 1 1H5* G 1 0.425 -15.436 -15.005 3 H4* G 1 H4* G 1 -1.738 -15.779 -15.678 4 H3* G 1 H3* G 1 -1.861 -14.672 -12.865 5 H2* G 1 H2* G 1 -4.198 -15.019 -12.775 6 2HO* G 1 2HO* G 1 -3.939 -14.961 -15.566 7 H1* G 1 H1* G 1 -4.308 -17.444 -14.014 8 H8 G 1 H8 G 1 -1.431 -18.111 -11.925 9 H1 G 1 H1 G 1 -6.546 -17.103 -8.256 10 1H2 G 1 H21 G 1 -8.166 -16.165 -9.447 11 2H2 G 1 H22 G 1 -7.984 -15.787 -11.145 12 H5T G 1 H5T G 1 0.003 -14.482 -13.042 13 1H5* G 2 2H5* G 2 -5.507 -13.809 -14.365 14 2H5* G 2 1H5* G 2 -5.368 -12.123 -14.900 15 H4* G 2 H4* G 2 -7.499 -12.254 -13.887 16 H3* G 2 H3* G 2 -5.351 -10.979 -12.219 17 H2* G 2 H2* G 2 -6.568 -11.027 -10.248 18 2HO* G 2 2HO* G 2 -8.694 -10.566 -10.192 19 H1* G 2 H1* G 2 -8.379 -13.134 -10.778 20 H8 G 2 H8 G 2 -4.723 -14.115 -10.911 21 H1 G 2 H1 G 2 -7.069 -13.920 -4.986 22 1H2 G 2 H21 G 2 -9.083 -12.986 -5.002 23 2H2 G 2 H22 G 2 -9.841 -12.412 -6.469 24 1H5* A 3 2H5* A 3 -8.385 -9.230 -11.403 25 2H5* A 3 1H5* A 3 -8.863 -7.569 -11.778 26 H4* A 3 H4* A 3 -9.292 -7.699 -9.505 27 H3* A 3 H3* A 3 -6.573 -6.534 -10.106 28 H2* A 3 H2* A 3 -5.966 -6.658 -7.873 29 2HO* A 3 2HO* A 3 -7.685 -6.309 -6.232 30 H1* A 3 H1* A 3 -8.237 -8.368 -7.083 31 H8 A 3 H8 A 3 -4.885 -9.295 -8.752 32 1H6 A 3 H61 A 3 -3.058 -11.222 -3.210 33 2H6 A 3 H62 A 3 -2.626 -11.091 -4.899 34 H2 A 3 H2 A 3 -7.151 -9.423 -2.766 35 1H5* U 4 2H5* U 4 -9.551 -4.943 -7.404 36 2H5* U 4 1H5* U 4 -9.856 -3.199 -7.529 37 H4* U 4 H4* U 4 -10.149 -3.761 -5.231 38 H3* U 4 H3* U 4 -7.523 -2.394 -5.884 39 H2* U 4 H2* U 4 -6.811 -2.566 -3.649 40 2HO* U 4 2HO* U 4 -8.944 -3.461 -2.308 41 H1* U 4 H1* U 4 -8.005 -5.002 -2.994 42 H3 U 4 H3 U 4 -3.719 -6.093 -2.400 43 H5 U 4 H5 U 4 -3.879 -5.061 -6.525 44 H6 U 4 H6 U 4 -6.206 -4.432 -6.191 45 1H5* G 5 2H5* G 5 -10.560 -0.790 -2.378 46 2H5* G 5 1H5* G 5 -10.108 0.919 -2.210 47 H4* G 5 H4* G 5 -10.395 -0.379 -0.030 48 H3* G 5 H3* G 5 -8.003 1.271 -0.820 49 H2* G 5 H2* G 5 -6.748 0.595 1.060 50 2HO* G 5 2HO* G 5 -9.294 -0.136 2.099 51 H1* G 5 H1* G 5 -7.428 -2.035 1.142 52 H8 G 5 H8 G 5 -7.076 -0.623 -2.395 53 H1 G 5 H1 G 5 -1.562 -2.524 0.172 54 1H2 G 5 H21 G 5 -1.861 -3.076 2.295 55 2H2 G 5 H22 G 5 -3.420 -2.973 3.082 56 1H5* C 6 2H5* C 6 -7.770 1.056 3.543 57 2H5* C 6 1H5* C 6 -7.860 2.768 3.971 58 H4* C 6 H4* C 6 -5.819 1.469 4.795 59 H3* C 6 H3* C 6 -5.871 4.134 3.366 60 H2* C 6 H2* C 6 -3.582 4.078 3.035 61 2HO* C 6 2HO* C 6 -3.589 4.023 5.547 62 H1* C 6 H1* C 6 -3.263 1.262 3.841 63 1H4 C 6 H41 C 6 0.235 1.861 -1.444 64 2H4 C 6 H42 C 6 -1.148 2.455 -2.335 65 H5 C 6 H5 C 6 -3.307 2.824 -1.332 66 H6 C 6 H6 C 6 -4.610 2.708 0.743 67 1H5* C 7 2H5* C 7 -4.000 5.045 7.926 68 2H5* C 7 1H5* C 7 -3.741 6.796 7.794 69 H4* C 7 H4* C 7 -1.694 5.152 8.176 70 H3* C 7 H3* C 7 -1.872 7.604 6.397 71 H2* C 7 H2* C 7 0.336 7.231 5.633 72 2HO* C 7 2HO* C 7 1.352 6.832 7.602 73 H1* C 7 H1* C 7 0.224 4.493 5.425 74 1H4 C 7 H41 C 7 -0.881 6.706 -0.419 75 2H4 C 7 H42 C 7 -2.507 7.179 0.024 76 H5 C 7 H5 C 7 -3.372 6.985 2.265 77 H6 C 7 H6 C 7 -2.852 6.302 4.571 78 1H5* U 8 2H5* U 8 1.686 8.605 9.619 79 2H5* U 8 1H5* U 8 1.690 10.373 9.467 80 H4* U 8 H4* U 8 3.883 8.980 8.979 81 H3* U 8 H3* U 8 2.774 11.374 7.475 82 H2* U 8 H2* U 8 4.552 11.233 5.913 83 2HO* U 8 2HO* U 8 5.792 9.406 7.734 84 H1* U 8 H1* U 8 4.637 8.511 5.642 85 H3 U 8 H3 U 8 3.039 10.168 1.731 86 H5 U 8 H5 U 8 -0.236 10.420 4.376 87 H6 U 8 H6 U 8 1.248 9.737 6.172 88 1H5* C 9 2H5* C 9 7.005 11.596 7.045 89 2H5* C 9 1H5* C 9 7.435 13.274 7.426 90 H4* C 9 H4* C 9 7.923 12.302 5.030 91 H3* C 9 H3* C 9 7.380 14.946 6.021 92 H2* C 9 H2* C 9 5.580 15.520 4.695 93 2HO* C 9 2HO* C 9 6.137 15.705 2.393 94 H1* C 9 H1* C 9 5.858 13.376 2.662 95 1H4 C 9 H41 C 9 -0.384 14.555 2.814 96 2H4 C 9 H42 C 9 -0.455 14.144 4.513 97 H5 C 9 H5 C 9 1.492 13.586 5.822 98 H6 C 9 H6 C 9 3.924 13.315 5.782 99 1H5* C 10 2H5* C 10 7.583 17.940 4.058 100 2H5* C 10 1H5* C 10 8.040 16.445 3.217 101 H4* C 10 H4* C 10 9.558 19.078 3.301 102 H3* C 10 H3* C 10 7.609 18.085 1.488 103 H2* C 10 H2* C 10 8.892 16.478 0.392 104 2HO* C 10 2HO* C 10 10.406 17.667 -1.158 105 H1* C 10 H1* C 10 11.514 17.866 0.820 106 1H4 C 10 H41 C 10 13.386 11.942 -0.447 107 2H4 C 10 H42 C 10 12.165 11.265 0.608 108 H5 C 10 H5 C 10 10.558 12.600 1.794 109 H6 C 10 H6 C 10 9.778 14.897 2.241 110 1H5* C 11 2H5* C 11 7.861 18.628 -0.962 111 2H5* C 11 1H5* C 11 7.750 20.191 -1.792 112 H4* C 11 H4* C 11 6.505 18.459 -3.012 113 H3* C 11 H3* C 11 5.545 20.978 -2.509 114 H2* C 11 H2* C 11 4.340 20.386 -0.508 115 2HO* C 11 2HO* C 11 2.537 19.915 -2.684 116 H1* C 11 H1* C 11 3.289 17.918 -1.914 117 1H4 C 11 H41 C 11 1.137 16.952 3.985 118 2H4 C 11 H42 C 11 2.765 17.029 4.619 119 H5 C 11 H5 C 11 4.686 17.560 3.274 120 H6 C 11 H6 C 11 5.466 18.130 1.021 121 1H5* G 12 2H5* G 12 4.017 16.523 -5.359 122 2H5* G 12 1H5* G 12 5.145 17.197 -4.167 123 H4* G 12 H4* G 12 6.196 16.497 -6.892 124 H3* G 12 H3* G 12 5.181 14.531 -4.839 125 H2* G 12 H2* G 12 7.144 13.274 -4.867 126 2HO* G 12 2HO* G 12 7.701 14.451 -7.420 127 H1* G 12 H1* G 12 9.004 15.309 -5.550 128 H8 G 12 H8 G 12 10.493 14.775 -3.567 129 H1 G 12 H1 G 12 5.688 14.482 0.610 130 1H2 G 12 H21 G 12 3.765 14.862 -0.403 131 2H2 G 12 H22 G 12 3.650 15.195 -2.115 132 1H5* A 13 2H5* A 13 7.694 11.740 -7.582 133 2H5* A 13 1H5* A 13 6.431 10.498 -7.714 134 H4* A 13 H4* A 13 8.756 10.065 -6.418 135 H3* A 13 H3* A 13 5.955 9.028 -5.968 136 H2* A 13 H2* A 13 6.606 7.953 -3.949 137 2HO* A 13 2HO* A 13 9.250 8.379 -4.928 138 H1* A 13 H1* A 13 8.132 9.942 -2.915 139 H8 A 13 H8 A 13 4.983 10.878 -4.946 140 1H6 A 13 H61 A 13 1.974 10.762 0.431 141 2H6 A 13 H62 A 13 1.837 11.093 -1.281 142 H2 A 13 H2 A 13 6.222 9.505 1.180 143 1H5* G 14 2H5* G 14 9.107 6.433 -5.306 144 2H5* G 14 1H5* G 14 8.906 4.676 -5.444 145 H4* G 14 H4* G 14 9.578 5.782 -3.142 146 H3* G 14 H3* G 14 8.429 3.298 -3.819 147 H2* G 14 H2* G 14 6.219 3.766 -3.168 148 2HO* G 14 2HO* G 14 6.225 3.491 -0.676 149 H1* G 14 H1* G 14 7.084 5.572 -0.923 150 H8 G 14 H8 G 14 5.081 6.323 -4.124 151 H1 G 14 H1 G 14 1.572 6.009 1.183 152 1H2 G 14 H21 G 14 2.851 5.369 2.890 153 2H2 G 14 H22 G 14 4.553 5.023 2.708 154 1H5* U 15 2H5* U 15 10.663 4.042 0.473 155 2H5* U 15 1H5* U 15 12.014 3.081 -0.158 156 H4* U 15 H4* U 15 12.457 2.781 2.060 157 H3* U 15 H3* U 15 10.254 0.801 1.465 158 H2* U 15 H2* U 15 10.429 0.076 3.734 159 2HO* U 15 2HO* U 15 12.708 0.161 3.927 160 H1* U 15 H1* U 15 10.449 2.580 4.792 161 H3 U 15 H3 U 15 6.256 1.333 5.765 162 H5 U 15 H5 U 15 6.165 1.866 1.586 163 H6 U 15 H6 U 15 8.560 2.217 1.640 164 1H5* G 16 2H5* G 16 10.278 -2.745 -0.058 165 2H5* G 16 1H5* G 16 9.150 -1.738 -0.987 166 H4* G 16 H4* G 16 9.142 -2.285 2.021 167 H3* G 16 H3* G 16 7.327 -2.964 -0.393 168 H2* G 16 H2* G 16 5.408 -2.710 0.936 169 2HO* G 16 2HO* G 16 6.385 -2.376 3.436 170 H1* G 16 H1* G 16 6.299 -0.618 2.602 171 H8 G 16 H8 G 16 6.850 -0.116 -1.166 172 H1 G 16 H1 G 16 1.001 1.466 0.845 173 1H2 G 16 H21 G 16 0.730 0.847 2.956 174 2H2 G 16 H22 G 16 1.991 0.050 3.870 175 1H5* C 17 2H5* C 17 6.299 -4.579 3.658 176 2H5* C 17 1H5* C 17 6.367 -6.338 3.439 177 H4* C 17 H4* C 17 4.553 -5.829 4.952 178 H3* C 17 H3* C 17 3.780 -6.710 2.154 179 H2* C 17 H2* C 17 1.494 -6.529 2.684 180 2HO* C 17 2HO* C 17 2.075 -6.179 5.452 181 H1* C 17 H1* C 17 1.645 -4.264 4.346 182 1H4 C 17 H41 C 17 -0.579 -2.325 -1.288 183 2H4 C 17 H42 C 17 1.012 -2.459 -2.002 184 H5 C 17 H5 C 17 2.919 -3.314 -0.814 185 H6 C 17 H6 C 17 3.723 -4.229 1.315 186 1H5* A 18 2H5* A 18 1.749 -9.215 5.827 187 2H5* A 18 1H5* A 18 1.369 -10.746 5.016 188 H4* A 18 H4* A 18 -0.519 -9.515 6.321 189 H3* A 18 H3* A 18 -0.634 -10.835 3.623 190 H2* A 18 H2* A 18 -2.793 -10.011 3.154 191 2HO* A 18 2HO* A 18 -3.951 -10.413 4.958 192 H1* A 18 H1* A 18 -2.571 -7.498 4.162 193 H8 A 18 H8 A 18 0.675 -8.595 2.546 194 1H6 A 18 H61 A 18 -1.694 -6.670 -2.814 195 2H6 A 18 H62 A 18 -0.251 -7.248 -2.011 196 H2 A 18 H2 A 18 -4.952 -6.556 0.281 197 1H5* U 19 2H5* U 19 -4.125 -12.712 6.030 198 2H5* U 19 1H5* U 19 -4.550 -14.213 5.180 199 H4* U 19 H4* U 19 -6.258 -12.225 5.201 200 H3* U 19 H3* U 19 -5.445 -13.980 2.873 201 H2* U 19 H2* U 19 -6.801 -12.752 1.390 202 2HO* U 19 2HO* U 19 -8.699 -12.614 2.542 203 H1* U 19 H1* U 19 -6.317 -10.204 2.414 204 H3 U 19 H3 U 19 -4.514 -10.547 -1.785 205 H5 U 19 H5 U 19 -1.668 -12.354 0.819 206 H6 U 19 H6 U 19 -3.303 -12.157 2.602 207 1H5* C 20 2H5* C 20 -10.038 -14.727 3.389 208 2H5* C 20 1H5* C 20 -10.366 -16.231 2.505 209 H4* C 20 H4* C 20 -11.377 -13.941 1.664 210 H3* C 20 H3* C 20 -10.169 -16.205 0.051 211 H2* C 20 H2* C 20 -10.459 -14.983 -1.953 212 2HO* C 20 2HO* C 20 -12.274 -13.432 -0.398 213 H1* C 20 H1* C 20 -9.774 -12.492 -1.015 214 1H4 C 20 H41 C 20 -4.737 -15.158 -3.912 215 2H4 C 20 H42 C 20 -4.162 -15.709 -2.354 216 H5 C 20 H5 C 20 -5.440 -15.483 -0.321 217 H6 C 20 H6 C 20 -7.544 -14.682 0.654 218 1H5* C 21 2H5* C 21 -12.841 -14.529 -2.631 219 2H5* C 21 1H5* C 21 -14.138 -15.734 -2.763 220 H4* C 21 H4* C 21 -13.433 -15.054 -5.001 221 H3* C 21 H3* C 21 -12.626 -17.825 -4.085 222 H2* C 21 H2* C 21 -11.539 -18.223 -6.078 223 2HO* C 21 2HO* C 21 -13.494 -16.466 -7.114 224 H1* C 21 H1* C 21 -11.020 -15.456 -6.739 225 1H4 C 21 H41 C 21 -5.304 -18.170 -6.160 226 2H4 C 21 H42 C 21 -5.597 -18.530 -4.473 227 H5 C 21 H5 C 21 -7.685 -18.062 -3.366 228 H6 C 21 H6 C 21 -9.943 -17.143 -3.637 229 H3T C 21 H3T C 21 -14.668 -18.042 -4.587 Start of MODEL 5 1 1H5* G 1 2H5* G 1 1.108 -16.742 -13.705 2 2H5* G 1 1H5* G 1 1.105 -15.116 -14.417 3 H4* G 1 H4* G 1 -0.980 -15.762 -15.112 4 H3* G 1 H3* G 1 -1.283 -14.718 -12.289 5 H2* G 1 H2* G 1 -3.545 -15.397 -12.227 6 2HO* G 1 2HO* G 1 -4.567 -16.151 -14.236 7 H1* G 1 H1* G 1 -3.298 -17.798 -13.490 8 H8 G 1 H8 G 1 -0.391 -18.154 -11.411 9 H1 G 1 H1 G 1 -5.559 -17.688 -7.704 10 1H2 G 1 H21 G 1 -7.270 -16.910 -8.881 11 2H2 G 1 H22 G 1 -7.139 -16.505 -10.577 12 H5T G 1 H5T G 1 0.231 -15.695 -11.779 13 1H5* G 2 2H5* G 2 -4.965 -14.386 -13.958 14 2H5* G 2 1H5* G 2 -5.054 -12.696 -14.492 15 H4* G 2 H4* G 2 -7.208 -13.170 -13.630 16 H3* G 2 H3* G 2 -5.417 -11.611 -11.765 17 H2* G 2 H2* G 2 -6.914 -11.761 -9.980 18 2HO* G 2 2HO* G 2 -9.192 -12.679 -11.045 19 H1* G 2 H1* G 2 -8.144 -14.210 -10.566 20 H8 G 2 H8 G 2 -4.392 -14.548 -10.464 21 H1 G 2 H1 G 2 -7.021 -14.408 -4.661 22 1H2 G 2 H21 G 2 -9.154 -13.807 -4.809 23 2H2 G 2 H22 G 2 -9.923 -13.441 -6.336 24 1H5* A 3 2H5* A 3 -8.806 -9.889 -11.292 25 2H5* A 3 1H5* A 3 -9.001 -8.175 -11.677 26 H4* A 3 H4* A 3 -9.739 -8.510 -9.424 27 H3* A 3 H3* A 3 -7.123 -7.065 -9.876 28 H2* A 3 H2* A 3 -6.628 -7.126 -7.620 29 2HO* A 3 2HO* A 3 -8.180 -5.731 -6.935 30 H1* A 3 H1* A 3 -8.751 -9.050 -6.928 31 H8 A 3 H8 A 3 -5.297 -9.736 -8.452 32 1H6 A 3 H61 A 3 -3.443 -11.198 -2.775 33 2H6 A 3 H62 A 3 -2.982 -11.121 -4.459 34 H2 A 3 H2 A 3 -7.681 -9.729 -2.513 35 1H5* U 4 2H5* U 4 -10.516 -5.318 -7.188 36 2H5* U 4 1H5* U 4 -10.487 -3.553 -7.361 37 H4* U 4 H4* U 4 -10.881 -4.221 -5.022 38 H3* U 4 H3* U 4 -8.340 -2.753 -5.776 39 H2* U 4 H2* U 4 -7.532 -2.875 -3.580 40 2HO* U 4 2HO* U 4 -9.779 -2.147 -2.852 41 H1* U 4 H1* U 4 -8.654 -5.322 -2.815 42 H3 U 4 H3 U 4 -4.325 -6.239 -2.247 43 H5 U 4 H5 U 4 -4.582 -5.380 -6.407 44 H6 U 4 H6 U 4 -6.925 -4.819 -6.060 45 1H5* G 5 2H5* G 5 -11.353 -0.618 -2.066 46 2H5* G 5 1H5* G 5 -10.482 0.929 -2.071 47 H4* G 5 H4* G 5 -10.916 -0.341 0.201 48 H3* G 5 H3* G 5 -8.514 1.200 -0.751 49 H2* G 5 H2* G 5 -7.154 0.485 1.039 50 2HO* G 5 2HO* G 5 -9.443 0.593 2.377 51 H1* G 5 H1* G 5 -7.944 -2.108 1.230 52 H8 G 5 H8 G 5 -7.814 -0.895 -2.375 53 H1 G 5 H1 G 5 -2.148 -2.725 -0.105 54 1H2 G 5 H21 G 5 -2.289 -3.116 2.071 55 2H2 G 5 H22 G 5 -3.781 -2.927 2.964 56 1H5* C 6 2H5* C 6 -7.946 0.941 3.532 57 2H5* C 6 1H5* C 6 -7.997 2.643 4.007 58 H4* C 6 H4* C 6 -5.911 1.338 4.666 59 H3* C 6 H3* C 6 -5.997 4.002 3.216 60 H2* C 6 H2* C 6 -3.698 3.934 2.910 61 2HO* C 6 2HO* C 6 -3.700 3.741 5.423 62 H1* C 6 H1* C 6 -3.431 1.087 3.553 63 1H4 C 6 H41 C 6 -0.186 2.033 -1.858 64 2H4 C 6 H42 C 6 -1.642 2.563 -2.671 65 H5 C 6 H5 C 6 -3.771 2.779 -1.563 66 H6 C 6 H6 C 6 -4.968 2.529 0.567 67 1H5* C 7 2H5* C 7 -3.682 4.737 7.407 68 2H5* C 7 1H5* C 7 -3.553 6.507 7.435 69 H4* C 7 H4* C 7 -1.375 4.994 7.361 70 H3* C 7 H3* C 7 -1.898 7.540 5.765 71 H2* C 7 H2* C 7 0.300 7.355 4.919 72 2HO* C 7 2HO* C 7 1.891 6.131 5.942 73 H1* C 7 H1* C 7 0.367 4.544 4.802 74 1H4 C 7 H41 C 7 -0.082 6.741 -1.139 75 2H4 C 7 H42 C 7 -1.797 7.017 -0.935 76 H5 C 7 H5 C 7 -2.941 6.705 1.170 77 H6 C 7 H6 C 7 -2.674 6.066 3.524 78 1H5* U 8 2H5* U 8 1.545 8.240 9.092 79 2H5* U 8 1H5* U 8 1.771 9.999 9.146 80 H4* U 8 H4* U 8 3.809 8.405 8.618 81 H3* U 8 H3* U 8 3.079 11.064 7.357 82 H2* U 8 H2* U 8 4.886 10.890 5.844 83 2HO* U 8 2HO* U 8 5.869 9.027 7.744 84 H1* U 8 H1* U 8 4.724 8.199 5.305 85 H3 U 8 H3 U 8 3.616 10.428 1.513 86 H5 U 8 H5 U 8 0.167 10.689 3.916 87 H6 U 8 H6 U 8 1.435 9.683 5.727 88 1H5* C 9 2H5* C 9 7.691 11.588 7.345 89 2H5* C 9 1H5* C 9 7.634 13.222 8.039 90 H4* C 9 H4* C 9 8.570 12.849 5.599 91 H3* C 9 H3* C 9 7.082 15.049 6.872 92 H2* C 9 H2* C 9 5.785 15.664 5.079 93 2HO* C 9 2HO* C 9 7.997 15.317 3.328 94 H1* C 9 H1* C 9 6.717 13.696 3.103 95 1H4 C 9 H41 C 9 0.421 14.055 2.307 96 2H4 C 9 H42 C 9 0.143 13.563 3.962 97 H5 C 9 H5 C 9 1.920 13.182 5.544 98 H6 C 9 H6 C 9 4.341 13.178 5.877 99 1H5* C 10 2H5* C 10 7.501 18.698 5.678 100 2H5* C 10 1H5* C 10 7.166 17.521 4.394 101 H4* C 10 H4* C 10 7.832 20.327 4.158 102 H3* C 10 H3* C 10 6.282 18.541 2.706 103 H2* C 10 H2* C 10 8.040 17.259 1.758 104 2HO* C 10 2HO* C 10 8.409 19.278 -0.129 105 H1* C 10 H1* C 10 9.791 19.633 1.221 106 1H4 C 10 H41 C 10 13.905 14.821 0.755 107 2H4 C 10 H42 C 10 13.353 14.132 2.265 108 H5 C 10 H5 C 10 11.549 15.065 3.559 109 H6 C 10 H6 C 10 9.878 16.864 3.681 110 1H5* C 11 2H5* C 11 6.927 20.331 -0.314 111 2H5* C 11 1H5* C 11 6.108 21.684 -1.121 112 H4* C 11 H4* C 11 6.456 19.586 -2.536 113 H3* C 11 H3* C 11 4.388 21.409 -2.657 114 H2* C 11 H2* C 11 2.847 20.230 -1.273 115 2HO* C 11 2HO* C 11 1.341 19.452 -2.648 116 H1* C 11 H1* C 11 3.617 17.574 -2.476 117 1H4 C 11 H41 C 11 0.157 15.849 2.570 118 2H4 C 11 H42 C 11 1.237 16.710 3.643 119 H5 C 11 H5 C 11 3.080 18.049 2.866 120 H6 C 11 H6 C 11 4.289 18.854 0.892 121 1H5* G 12 2H5* G 12 5.715 17.753 -5.154 122 2H5* G 12 1H5* G 12 6.526 17.663 -3.577 123 H4* G 12 H4* G 12 7.866 17.347 -6.291 124 H3* G 12 H3* G 12 6.757 15.415 -4.266 125 H2* G 12 H2* G 12 8.672 14.088 -4.236 126 2HO* G 12 2HO* G 12 10.181 14.151 -6.031 127 H1* G 12 H1* G 12 10.633 16.038 -4.828 128 H8 G 12 H8 G 12 11.981 15.932 -2.660 129 H1 G 12 H1 G 12 6.877 14.803 0.989 130 1H2 G 12 H21 G 12 5.033 14.876 -0.234 131 2H2 G 12 H22 G 12 5.057 15.204 -1.953 132 1H5* A 13 2H5* A 13 9.220 12.427 -7.063 133 2H5* A 13 1H5* A 13 7.838 11.318 -7.175 134 H4* A 13 H4* A 13 10.164 10.746 -5.851 135 H3* A 13 H3* A 13 7.331 9.753 -5.687 136 H2* A 13 H2* A 13 7.679 8.664 -3.620 137 2HO* A 13 2HO* A 13 10.445 9.143 -3.541 138 H1* A 13 H1* A 13 9.204 10.521 -2.368 139 H8 A 13 H8 A 13 6.489 12.002 -4.628 140 1H6 A 13 H61 A 13 2.686 11.514 0.202 141 2H6 A 13 H62 A 13 2.854 12.112 -1.435 142 H2 A 13 H2 A 13 6.587 9.571 1.291 143 1H5* G 14 2H5* G 14 10.356 6.708 -4.950 144 2H5* G 14 1H5* G 14 9.809 5.022 -5.041 145 H4* G 14 H4* G 14 10.540 6.078 -2.727 146 H3* G 14 H3* G 14 8.327 4.134 -3.388 147 H2* G 14 H2* G 14 7.289 4.344 -1.322 148 2HO* G 14 2HO* G 14 9.818 5.243 -0.332 149 H1* G 14 H1* G 14 8.048 6.958 -0.602 150 H8 G 14 H8 G 14 6.368 6.950 -3.967 151 H1 G 14 H1 G 14 2.200 6.278 0.799 152 1H2 G 14 H21 G 14 3.284 5.872 2.700 153 2H2 G 14 H22 G 14 5.026 5.767 2.783 154 1H5* U 15 2H5* U 15 10.509 3.061 0.550 155 2H5* U 15 1H5* U 15 11.836 2.710 -0.577 156 H4* U 15 H4* U 15 12.658 1.318 0.988 157 H3* U 15 H3* U 15 10.173 -0.157 0.156 158 H2* U 15 H2* U 15 10.478 -1.714 1.900 159 2HO* U 15 2HO* U 15 12.722 -2.055 1.568 160 H1* U 15 H1* U 15 11.313 0.070 3.822 161 H3 U 15 H3 U 15 7.182 -1.940 4.583 162 H5 U 15 H5 U 15 6.501 1.887 2.952 163 H6 U 15 H6 U 15 8.867 1.998 2.401 164 1H5* G 16 2H5* G 16 9.546 -3.090 -1.706 165 2H5* G 16 1H5* G 16 8.380 -1.977 -2.447 166 H4* G 16 H4* G 16 8.818 -2.513 0.536 167 H3* G 16 H3* G 16 6.643 -3.146 -1.558 168 H2* G 16 H2* G 16 4.920 -2.638 -0.067 169 2HO* G 16 2HO* G 16 6.860 -3.206 1.937 170 H1* G 16 H1* G 16 6.176 -0.638 1.485 171 H8 G 16 H8 G 16 6.449 0.098 -2.217 172 H1 G 16 H1 G 16 0.689 1.485 0.167 173 1H2 G 16 H21 G 16 0.503 0.683 2.221 174 2H2 G 16 H22 G 16 1.796 -0.190 3.011 175 1H5* C 17 2H5* C 17 6.091 -4.576 2.862 176 2H5* C 17 1H5* C 17 5.922 -6.322 2.595 177 H4* C 17 H4* C 17 4.408 -5.526 4.376 178 H3* C 17 H3* C 17 3.256 -6.609 1.788 179 H2* C 17 H2* C 17 1.064 -6.243 2.553 180 2HO* C 17 2HO* C 17 1.040 -7.115 4.558 181 H1* C 17 H1* C 17 1.513 -3.858 3.969 182 1H4 C 17 H41 C 17 -1.257 -2.370 -1.576 183 2H4 C 17 H42 C 17 0.266 -2.563 -2.411 184 H5 C 17 H5 C 17 2.262 -3.334 -1.337 185 H6 C 17 H6 C 17 3.259 -4.094 0.771 186 1H5* A 18 2H5* A 18 1.567 -9.060 5.777 187 2H5* A 18 1H5* A 18 1.007 -10.530 4.956 188 H4* A 18 H4* A 18 -0.645 -9.153 6.480 189 H3* A 18 H3* A 18 -1.115 -10.560 3.865 190 H2* A 18 H2* A 18 -3.263 -9.617 3.574 191 2HO* A 18 2HO* A 18 -3.734 -8.181 5.748 192 H1* A 18 H1* A 18 -2.769 -7.082 4.361 193 H8 A 18 H8 A 18 0.335 -8.360 2.651 194 1H6 A 18 H61 A 18 -2.329 -6.905 -2.712 195 2H6 A 18 H62 A 18 -0.841 -7.407 -1.940 196 H2 A 18 H2 A 18 -5.423 -6.544 0.526 197 1H5* U 19 2H5* U 19 -4.545 -12.641 6.424 198 2H5* U 19 1H5* U 19 -4.680 -14.147 5.493 199 H4* U 19 H4* U 19 -6.685 -12.426 5.536 200 H3* U 19 H3* U 19 -5.583 -14.029 3.215 201 H2* U 19 H2* U 19 -7.095 -13.012 1.718 202 2HO* U 19 2HO* U 19 -9.049 -12.923 2.593 203 H1* U 19 H1* U 19 -6.957 -10.421 2.720 204 H3 U 19 H3 U 19 -4.999 -10.610 -1.424 205 H5 U 19 H5 U 19 -2.012 -11.928 1.311 206 H6 U 19 H6 U 19 -3.716 -11.931 3.037 207 1H5* C 20 2H5* C 20 -10.012 -15.468 3.584 208 2H5* C 20 1H5* C 20 -10.057 -17.017 2.719 209 H4* C 20 H4* C 20 -11.384 -14.930 1.788 210 H3* C 20 H3* C 20 -9.760 -16.993 0.272 211 H2* C 20 H2* C 20 -10.171 -15.864 -1.767 212 2HO* C 20 2HO* C 20 -11.787 -13.839 -1.089 213 H1* C 20 H1* C 20 -9.898 -13.288 -0.861 214 1H4 C 20 H41 C 20 -4.394 -15.257 -3.452 215 2H4 C 20 H42 C 20 -3.811 -15.648 -1.850 216 H5 C 20 H5 C 20 -5.200 -15.545 0.121 217 H6 C 20 H6 C 20 -7.445 -15.045 0.973 218 1H5* C 21 2H5* C 21 -12.690 -15.811 -2.433 219 2H5* C 21 1H5* C 21 -13.689 -17.253 -2.704 220 H4* C 21 H4* C 21 -12.968 -16.223 -4.843 221 H3* C 21 H3* C 21 -11.884 -18.950 -4.084 222 H2* C 21 H2* C 21 -10.690 -19.059 -6.057 223 2HO* C 21 2HO* C 21 -11.917 -16.982 -7.432 224 H1* C 21 H1* C 21 -10.431 -16.208 -6.439 225 1H4 C 21 H41 C 21 -4.534 -18.499 -5.757 226 2H4 C 21 H42 C 21 -4.844 -18.887 -4.081 227 H5 C 21 H5 C 21 -6.995 -18.598 -3.033 228 H6 C 21 H6 C 21 -9.311 -17.873 -3.366 229 H3T C 21 H3T C 21 -13.567 -19.603 -5.364 Start of MODEL 6 1 1H5* G 1 2H5* G 1 1.814 -17.300 -13.370 2 2H5* G 1 1H5* G 1 1.805 -15.763 -14.259 3 H4* G 1 H4* G 1 -0.297 -16.472 -14.834 4 H3* G 1 H3* G 1 -0.525 -15.096 -12.150 5 H2* G 1 H2* G 1 -2.785 -15.744 -11.946 6 2HO* G 1 2HO* G 1 -2.975 -16.845 -14.517 7 H1* G 1 H1* G 1 -2.602 -18.270 -12.966 8 H8 G 1 H8 G 1 0.348 -18.319 -10.853 9 H1 G 1 H1 G 1 -4.894 -17.797 -7.260 10 1H2 G 1 H21 G 1 -6.625 -17.224 -8.523 11 2H2 G 1 H22 G 1 -6.487 -16.968 -10.247 12 H5T G 1 H5T G 1 1.600 -16.265 -11.521 13 1H5* G 2 2H5* G 2 -4.263 -14.919 -13.712 14 2H5* G 2 1H5* G 2 -4.312 -13.328 -14.495 15 H4* G 2 H4* G 2 -6.451 -13.522 -13.550 16 H3* G 2 H3* G 2 -4.538 -11.907 -11.875 17 H2* G 2 H2* G 2 -5.944 -11.845 -10.020 18 2HO* G 2 2HO* G 2 -8.340 -12.607 -10.790 19 H1* G 2 H1* G 2 -7.399 -14.220 -10.383 20 H8 G 2 H8 G 2 -3.626 -14.670 -10.322 21 H1 G 2 H1 G 2 -6.238 -14.400 -4.517 22 1H2 G 2 H21 G 2 -8.364 -13.778 -4.669 23 2H2 G 2 H22 G 2 -9.135 -13.433 -6.201 24 1H5* A 3 2H5* A 3 -7.911 -10.415 -11.195 25 2H5* A 3 1H5* A 3 -8.271 -8.755 -11.687 26 H4* A 3 H4* A 3 -8.932 -8.953 -9.412 27 H3* A 3 H3* A 3 -6.393 -7.427 -9.993 28 H2* A 3 H2* A 3 -5.849 -7.337 -7.748 29 2HO* A 3 2HO* A 3 -8.667 -7.082 -7.356 30 H1* A 3 H1* A 3 -7.894 -9.292 -6.904 31 H8 A 3 H8 A 3 -4.399 -9.855 -8.409 32 1H6 A 3 H61 A 3 -2.540 -11.162 -2.696 33 2H6 A 3 H62 A 3 -2.067 -11.092 -4.378 34 H2 A 3 H2 A 3 -6.835 -9.859 -2.492 35 1H5* U 4 2H5* U 4 -10.216 -4.947 -7.796 36 2H5* U 4 1H5* U 4 -9.569 -3.300 -7.667 37 H4* U 4 H4* U 4 -10.620 -4.475 -5.559 38 H3* U 4 H3* U 4 -8.119 -2.777 -5.752 39 H2* U 4 H2* U 4 -7.613 -3.146 -3.494 40 2HO* U 4 2HO* U 4 -10.391 -3.632 -3.296 41 H1* U 4 H1* U 4 -8.575 -5.747 -3.231 42 H3 U 4 H3 U 4 -4.210 -6.047 -2.190 43 H5 U 4 H5 U 4 -4.206 -5.269 -6.376 44 H6 U 4 H6 U 4 -6.615 -4.965 -6.235 45 1H5* G 5 2H5* G 5 -11.603 -1.641 -2.033 46 2H5* G 5 1H5* G 5 -11.186 0.081 -2.139 47 H4* G 5 H4* G 5 -11.362 -0.934 0.218 48 H3* G 5 H3* G 5 -9.123 0.752 -0.881 49 H2* G 5 H2* G 5 -7.749 0.415 1.010 50 2HO* G 5 2HO* G 5 -8.863 -0.835 2.858 51 H1* G 5 H1* G 5 -8.214 -2.220 1.453 52 H8 G 5 H8 G 5 -8.183 -1.333 -2.257 53 H1 G 5 H1 G 5 -2.377 -2.357 0.164 54 1H2 G 5 H21 G 5 -2.498 -2.579 2.364 55 2H2 G 5 H22 G 5 -4.010 -2.472 3.238 56 1H5* C 6 2H5* C 6 -8.762 1.015 3.388 57 2H5* C 6 1H5* C 6 -8.884 2.748 3.716 58 H4* C 6 H4* C 6 -6.769 1.497 4.506 59 H3* C 6 H3* C 6 -6.971 4.157 3.072 60 H2* C 6 H2* C 6 -4.692 4.193 2.693 61 2HO* C 6 2HO* C 6 -4.438 4.353 5.045 62 H1* C 6 H1* C 6 -4.246 1.392 3.474 63 1H4 C 6 H41 C 6 -0.929 2.240 -1.906 64 2H4 C 6 H42 C 6 -2.391 2.657 -2.774 65 H5 C 6 H5 C 6 -4.551 2.826 -1.717 66 H6 C 6 H6 C 6 -5.777 2.630 0.397 67 1H5* C 7 2H5* C 7 -4.843 4.957 7.397 68 2H5* C 7 1H5* C 7 -4.710 6.727 7.431 69 H4* C 7 H4* C 7 -2.532 5.220 7.449 70 H3* C 7 H3* C 7 -3.032 7.773 5.874 71 H2* C 7 H2* C 7 -0.871 7.608 4.969 72 2HO* C 7 2HO* C 7 -0.073 5.508 6.669 73 H1* C 7 H1* C 7 -0.745 4.825 4.776 74 1H4 C 7 H41 C 7 -1.612 7.108 -1.091 75 2H4 C 7 H42 C 7 -3.274 7.516 -0.728 76 H5 C 7 H5 C 7 -4.255 7.236 1.460 77 H6 C 7 H6 C 7 -3.847 6.508 3.766 78 1H5* U 8 2H5* U 8 0.875 7.315 8.450 79 2H5* U 8 1H5* U 8 1.508 8.946 8.737 80 H4* U 8 H4* U 8 3.042 7.087 7.657 81 H3* U 8 H3* U 8 2.818 10.024 6.904 82 H2* U 8 H2* U 8 4.425 9.695 5.187 83 2HO* U 8 2HO* U 8 6.001 8.482 6.094 84 H1* U 8 H1* U 8 3.501 7.301 4.246 85 H3 U 8 H3 U 8 2.702 10.620 1.214 86 H5 U 8 H5 U 8 -0.486 10.877 3.948 87 H6 U 8 H6 U 8 0.662 9.241 5.336 88 1H5* C 9 2H5* C 9 7.362 9.571 6.830 89 2H5* C 9 1H5* C 9 7.778 11.133 7.567 90 H4* C 9 H4* C 9 8.473 10.619 5.072 91 H3* C 9 H3* C 9 7.609 13.101 6.445 92 H2* C 9 H2* C 9 6.653 14.139 4.633 93 2HO* C 9 2HO* C 9 8.984 13.142 3.354 94 H1* C 9 H1* C 9 6.787 11.985 2.671 95 1H4 C 9 H41 C 9 0.905 14.421 2.450 96 2H4 C 9 H42 C 9 0.546 13.749 4.024 97 H5 C 9 H5 C 9 2.182 12.597 5.376 98 H6 C 9 H6 C 9 4.505 11.853 5.505 99 1H5* C 10 2H5* C 10 8.871 16.018 5.864 100 2H5* C 10 1H5* C 10 9.194 14.844 4.572 101 H4* C 10 H4* C 10 10.603 17.487 5.085 102 H3* C 10 H3* C 10 8.371 16.916 3.494 103 H2* C 10 H2* C 10 9.402 15.404 1.999 104 2HO* C 10 2HO* C 10 9.346 16.557 0.229 105 H1* C 10 H1* C 10 11.994 16.927 1.956 106 1H4 C 10 H41 C 10 13.724 11.392 -0.630 107 2H4 C 10 H42 C 10 12.947 10.491 0.653 108 H5 C 10 H5 C 10 11.701 11.534 2.432 109 H6 C 10 H6 C 10 10.928 13.671 3.364 110 1H5* C 11 2H5* C 11 9.580 18.731 0.940 111 2H5* C 11 1H5* C 11 9.439 20.414 0.392 112 H4* C 11 H4* C 11 8.845 18.785 -1.389 113 H3* C 11 H3* C 11 7.468 21.117 -0.791 114 H2* C 11 H2* C 11 5.673 20.141 0.415 115 2HO* C 11 2HO* C 11 3.964 19.659 -1.173 116 H1* C 11 H1* C 11 5.562 17.738 -1.404 117 1H4 C 11 H41 C 11 1.886 16.048 3.507 118 2H4 C 11 H42 C 11 3.248 16.179 4.598 119 H5 C 11 H5 C 11 5.413 16.976 3.917 120 H6 C 11 H6 C 11 6.747 17.818 2.039 121 1H5* G 12 2H5* G 12 7.321 18.133 -4.261 122 2H5* G 12 1H5* G 12 8.166 17.380 -2.894 123 H4* G 12 H4* G 12 9.128 17.314 -5.777 124 H3* G 12 H3* G 12 7.325 15.526 -4.174 125 H2* G 12 H2* G 12 8.504 13.578 -4.661 126 2HO* G 12 2HO* G 12 9.597 14.957 -6.921 127 H1* G 12 H1* G 12 11.100 14.640 -5.030 128 H8 G 12 H8 G 12 12.368 13.584 -3.072 129 H1 G 12 H1 G 12 7.237 13.374 0.706 130 1H2 G 12 H21 G 12 5.525 14.369 -0.274 131 2H2 G 12 H22 G 12 5.638 15.090 -1.865 132 1H5* A 13 2H5* A 13 6.889 11.895 -8.455 133 2H5* A 13 1H5* A 13 5.594 12.245 -7.293 134 H4* A 13 H4* A 13 8.202 10.798 -6.874 135 H3* A 13 H3* A 13 5.267 10.353 -6.280 136 H2* A 13 H2* A 13 5.795 9.171 -4.307 137 2HO* A 13 2HO* A 13 7.952 8.457 -3.889 138 H1* A 13 H1* A 13 7.859 10.741 -3.422 139 H8 A 13 H8 A 13 5.444 13.243 -4.609 140 1H6 A 13 H61 A 13 1.952 12.153 0.344 141 2H6 A 13 H62 A 13 2.226 13.228 -1.009 142 H2 A 13 H2 A 13 5.028 8.889 0.065 143 1H5* G 14 2H5* G 14 7.806 7.276 -6.362 144 2H5* G 14 1H5* G 14 7.582 5.521 -6.497 145 H4* G 14 H4* G 14 8.274 6.616 -4.196 146 H3* G 14 H3* G 14 7.062 4.162 -4.875 147 H2* G 14 H2* G 14 4.881 4.601 -4.155 148 2HO* G 14 2HO* G 14 5.540 3.160 -2.570 149 H1* G 14 H1* G 14 5.680 6.530 -2.007 150 H8 G 14 H8 G 14 3.928 7.312 -5.323 151 H1 G 14 H1 G 14 -0.015 6.823 -0.339 152 1H2 G 14 H21 G 14 1.101 6.117 1.435 153 2H2 G 14 H22 G 14 2.813 5.765 1.394 154 1H5* U 15 2H5* U 15 9.648 4.968 -0.948 155 2H5* U 15 1H5* U 15 11.037 4.072 -1.597 156 H4* U 15 H4* U 15 11.609 3.850 0.591 157 H3* U 15 H3* U 15 9.399 1.814 0.251 158 H2* U 15 H2* U 15 9.727 1.226 2.540 159 2HO* U 15 2HO* U 15 12.211 2.123 2.060 160 H1* U 15 H1* U 15 9.815 3.794 3.445 161 H3 U 15 H3 U 15 5.768 2.427 4.840 162 H5 U 15 H5 U 15 5.256 2.997 0.696 163 H6 U 15 H6 U 15 7.642 3.372 0.515 164 1H5* G 16 2H5* G 16 9.338 -1.765 -1.071 165 2H5* G 16 1H5* G 16 8.132 -0.820 -1.967 166 H4* G 16 H4* G 16 8.395 -1.092 1.071 167 H3* G 16 H3* G 16 6.442 -2.128 -1.092 168 H2* G 16 H2* G 16 4.612 -1.798 0.339 169 2HO* G 16 2HO* G 16 4.760 -1.878 2.529 170 H1* G 16 H1* G 16 5.518 0.496 1.709 171 H8 G 16 H8 G 16 5.806 0.777 -2.081 172 H1 G 16 H1 G 16 -0.083 1.904 0.111 173 1H2 G 16 H21 G 16 -0.212 1.370 2.257 174 2H2 G 16 H22 G 16 1.153 0.740 3.153 175 1H5* C 17 2H5* C 17 5.970 -3.354 3.375 176 2H5* C 17 1H5* C 17 5.893 -5.123 3.258 177 H4* C 17 H4* C 17 4.308 -4.220 4.940 178 H3* C 17 H3* C 17 3.285 -5.670 2.479 179 H2* C 17 H2* C 17 1.059 -5.385 3.181 180 2HO* C 17 2HO* C 17 0.582 -4.759 5.379 181 H1* C 17 H1* C 17 1.316 -2.827 4.321 182 1H4 C 17 H41 C 17 -1.502 -2.184 -1.356 183 2H4 C 17 H42 C 17 0.040 -2.349 -2.162 184 H5 C 17 H5 C 17 2.081 -2.842 -1.008 185 H6 C 17 H6 C 17 3.111 -3.284 1.175 186 1H5* A 18 2H5* A 18 1.164 -6.883 6.273 187 2H5* A 18 1H5* A 18 1.462 -8.631 6.347 188 H4* A 18 H4* A 18 -0.852 -8.179 6.952 189 H3* A 18 H3* A 18 -0.255 -9.624 4.381 190 H2* A 18 H2* A 18 -2.512 -9.603 3.695 191 2HO* A 18 2HO* A 18 -4.042 -9.853 5.134 192 H1* A 18 H1* A 18 -3.218 -7.099 4.481 193 H8 A 18 H8 A 18 0.349 -7.454 3.138 194 1H6 A 18 H61 A 18 -2.024 -6.223 -2.421 195 2H6 A 18 H62 A 18 -0.546 -6.472 -1.520 196 H2 A 18 H2 A 18 -5.420 -6.670 0.490 197 1H5* U 19 2H5* U 19 -3.632 -11.980 6.694 198 2H5* U 19 1H5* U 19 -3.626 -13.583 5.931 199 H4* U 19 H4* U 19 -5.755 -12.024 5.746 200 H3* U 19 H3* U 19 -4.474 -13.772 3.628 201 H2* U 19 H2* U 19 -6.047 -13.052 2.023 202 2HO* U 19 2HO* U 19 -7.747 -13.147 3.890 203 H1* U 19 H1* U 19 -6.141 -10.367 2.757 204 H3 U 19 H3 U 19 -4.140 -10.592 -1.329 205 H5 U 19 H5 U 19 -1.134 -11.846 1.416 206 H6 U 19 H6 U 19 -2.824 -11.794 3.157 207 1H5* C 20 2H5* C 20 -9.062 -14.834 3.873 208 2H5* C 20 1H5* C 20 -9.124 -16.490 3.236 209 H4* C 20 H4* C 20 -10.477 -14.556 2.054 210 H3* C 20 H3* C 20 -8.880 -16.809 0.805 211 H2* C 20 H2* C 20 -9.326 -15.976 -1.361 212 2HO* C 20 2HO* C 20 -11.644 -15.373 -0.354 213 H1* C 20 H1* C 20 -9.106 -13.285 -0.822 214 1H4 C 20 H41 C 20 -3.618 -15.325 -3.353 215 2H4 C 20 H42 C 20 -3.020 -15.694 -1.751 216 H5 C 20 H5 C 20 -4.377 -15.530 0.234 217 H6 C 20 H6 C 20 -6.602 -14.974 1.109 218 1H5* C 21 2H5* C 21 -11.862 -15.775 -2.078 219 2H5* C 21 1H5* C 21 -12.879 -17.230 -2.128 220 H4* C 21 H4* C 21 -12.211 -16.565 -4.402 221 H3* C 21 H3* C 21 -11.018 -19.097 -3.244 222 H2* C 21 H2* C 21 -9.810 -19.466 -5.172 223 2HO* C 21 2HO* C 21 -10.506 -18.474 -7.209 224 H1* C 21 H1* C 21 -9.701 -16.705 -6.032 225 1H4 C 21 H41 C 21 -3.668 -18.480 -5.110 226 2H4 C 21 H42 C 21 -3.956 -18.722 -3.402 227 H5 C 21 H5 C 21 -6.124 -18.468 -2.380 228 H6 C 21 H6 C 21 -8.481 -17.930 -2.775 229 H3T C 21 H3T C 21 -12.757 -19.960 -4.171 Start of MODEL 7 1 1H5* G 1 2H5* G 1 1.492 -16.661 -13.526 2 2H5* G 1 1H5* G 1 1.329 -15.176 -14.485 3 H4* G 1 H4* G 1 -0.659 -16.142 -15.084 4 H3* G 1 H3* G 1 -1.127 -14.720 -12.459 5 H2* G 1 H2* G 1 -3.289 -15.643 -12.265 6 2HO* G 1 2HO* G 1 -3.030 -16.373 -15.017 7 H1* G 1 H1* G 1 -2.775 -18.158 -13.195 8 H8 G 1 H8 G 1 0.116 -17.883 -11.069 9 H1 G 1 H1 G 1 -5.159 -17.616 -7.497 10 1H2 G 1 H21 G 1 -6.924 -17.209 -8.777 11 2H2 G 1 H22 G 1 -6.802 -17.002 -10.510 12 H5T G 1 H5T G 1 1.199 -15.570 -11.746 13 1H5* G 2 2H5* G 2 -4.842 -14.881 -13.774 14 2H5* G 2 1H5* G 2 -5.056 -13.358 -14.657 15 H4* G 2 H4* G 2 -7.081 -13.482 -13.541 16 H3* G 2 H3* G 2 -5.064 -11.939 -11.909 17 H2* G 2 H2* G 2 -6.416 -11.897 -10.008 18 2HO* G 2 2HO* G 2 -8.799 -12.737 -11.142 19 H1* G 2 H1* G 2 -7.842 -14.285 -10.353 20 H8 G 2 H8 G 2 -4.066 -14.694 -10.509 21 H1 G 2 H1 G 2 -6.349 -14.474 -4.563 22 1H2 G 2 H21 G 2 -8.489 -13.884 -4.593 23 2H2 G 2 H22 G 2 -9.349 -13.545 -6.078 24 1H5* A 3 2H5* A 3 -8.410 -10.445 -10.989 25 2H5* A 3 1H5* A 3 -8.734 -8.757 -11.403 26 H4* A 3 H4* A 3 -9.312 -9.073 -9.102 27 H3* A 3 H3* A 3 -6.816 -7.496 -9.745 28 H2* A 3 H2* A 3 -6.197 -7.458 -7.517 29 2HO* A 3 2HO* A 3 -8.496 -7.667 -6.155 30 H1* A 3 H1* A 3 -8.153 -9.489 -6.660 31 H8 A 3 H8 A 3 -4.747 -9.984 -8.362 32 1H6 A 3 H61 A 3 -2.500 -11.194 -2.760 33 2H6 A 3 H62 A 3 -2.133 -11.122 -4.468 34 H2 A 3 H2 A 3 -6.817 -10.026 -2.306 35 1H5* U 4 2H5* U 4 -9.881 -6.321 -7.093 36 2H5* U 4 1H5* U 4 -10.604 -4.716 -7.321 37 H4* U 4 H4* U 4 -10.716 -5.036 -5.000 38 H3* U 4 H3* U 4 -8.280 -3.418 -5.805 39 H2* U 4 H2* U 4 -7.545 -3.320 -3.577 40 2HO* U 4 2HO* U 4 -9.992 -2.901 -3.027 41 H1* U 4 H1* U 4 -8.428 -5.826 -2.718 42 H3 U 4 H3 U 4 -4.039 -6.307 -2.077 43 H5 U 4 H5 U 4 -4.312 -5.561 -6.258 44 H6 U 4 H6 U 4 -6.706 -5.247 -5.960 45 1H5* G 5 2H5* G 5 -11.607 -1.546 -2.380 46 2H5* G 5 1H5* G 5 -11.077 0.147 -2.463 47 H4* G 5 H4* G 5 -11.402 -0.923 -0.120 48 H3* G 5 H3* G 5 -9.137 0.784 -1.114 49 H2* G 5 H2* G 5 -7.793 0.394 0.781 50 2HO* G 5 2HO* G 5 -10.072 0.456 2.049 51 H1* G 5 H1* G 5 -8.290 -2.244 1.191 52 H8 G 5 H8 G 5 -8.162 -1.314 -2.506 53 H1 G 5 H1 G 5 -2.422 -2.393 0.049 54 1H2 G 5 H21 G 5 -2.604 -2.639 2.246 55 2H2 G 5 H22 G 5 -4.137 -2.536 3.080 56 1H5* C 6 2H5* C 6 -8.842 1.039 3.214 57 2H5* C 6 1H5* C 6 -8.963 2.780 3.498 58 H4* C 6 H4* C 6 -6.847 1.524 4.310 59 H3* C 6 H3* C 6 -7.045 4.180 2.862 60 H2* C 6 H2* C 6 -4.756 4.221 2.530 61 2HO* C 6 2HO* C 6 -4.730 4.149 5.031 62 H1* C 6 H1* C 6 -4.327 1.414 3.289 63 1H4 C 6 H41 C 6 -0.965 2.315 -2.054 64 2H4 C 6 H42 C 6 -2.425 2.695 -2.939 65 H5 C 6 H5 C 6 -4.600 2.828 -1.905 66 H6 C 6 H6 C 6 -5.843 2.622 0.200 67 1H5* C 7 2H5* C 7 -4.876 4.895 7.191 68 2H5* C 7 1H5* C 7 -4.718 6.663 7.250 69 H4* C 7 H4* C 7 -2.563 5.119 7.262 70 H3* C 7 H3* C 7 -3.013 7.708 5.731 71 H2* C 7 H2* C 7 -0.851 7.526 4.824 72 2HO* C 7 2HO* C 7 -0.161 6.772 7.153 73 H1* C 7 H1* C 7 -0.770 4.749 4.574 74 1H4 C 7 H41 C 7 -1.612 7.176 -1.238 75 2H4 C 7 H42 C 7 -3.279 7.563 -0.874 76 H5 C 7 H5 C 7 -4.268 7.226 1.303 77 H6 C 7 H6 C 7 -3.866 6.450 3.594 78 1H5* U 8 2H5* U 8 0.826 7.422 8.487 79 2H5* U 8 1H5* U 8 1.391 9.081 8.758 80 H4* U 8 H4* U 8 3.022 7.253 7.770 81 H3* U 8 H3* U 8 2.722 10.167 6.959 82 H2* U 8 H2* U 8 4.387 9.870 5.293 83 2HO* U 8 2HO* U 8 5.642 8.467 6.887 84 H1* U 8 H1* U 8 3.576 7.433 4.362 85 H3 U 8 H3 U 8 2.722 10.683 1.260 86 H5 U 8 H5 U 8 -0.539 10.845 3.920 87 H6 U 8 H6 U 8 0.641 9.273 5.354 88 1H5* C 9 2H5* C 9 7.314 9.820 6.966 89 2H5* C 9 1H5* C 9 7.649 11.406 7.693 90 H4* C 9 H4* C 9 8.434 10.887 5.227 91 H3* C 9 H3* C 9 7.457 13.348 6.552 92 H2* C 9 H2* C 9 6.471 14.321 4.719 93 2HO* C 9 2HO* C 9 8.055 13.559 2.672 94 H1* C 9 H1* C 9 6.771 12.169 2.767 95 1H4 C 9 H41 C 9 0.780 14.266 2.283 96 2H4 C 9 H42 C 9 0.411 13.662 3.883 97 H5 C 9 H5 C 9 2.061 12.665 5.334 98 H6 C 9 H6 C 9 4.412 12.036 5.559 99 1H5* C 10 2H5* C 10 8.695 16.342 6.031 100 2H5* C 10 1H5* C 10 9.028 15.126 4.779 101 H4* C 10 H4* C 10 10.407 17.788 5.250 102 H3* C 10 H3* C 10 8.339 17.058 3.501 103 H2* C 10 H2* C 10 9.539 15.520 2.174 104 2HO* C 10 2HO* C 10 10.034 16.554 0.316 105 H1* C 10 H1* C 10 12.095 17.096 2.307 106 1H4 C 10 H41 C 10 14.155 11.479 0.185 107 2H4 C 10 H42 C 10 13.255 10.625 1.418 108 H5 C 10 H5 C 10 11.818 11.724 3.006 109 H6 C 10 H6 C 10 10.929 13.889 3.756 110 1H5* C 11 2H5* C 11 9.746 18.854 0.975 111 2H5* C 11 1H5* C 11 9.551 20.504 0.348 112 H4* C 11 H4* C 11 9.219 18.714 -1.383 113 H3* C 11 H3* C 11 7.819 21.064 -1.177 114 H2* C 11 H2* C 11 6.005 20.185 0.125 115 2HO* C 11 2HO* C 11 4.808 19.307 -2.208 116 H1* C 11 H1* C 11 5.902 17.721 -1.624 117 1H4 C 11 H41 C 11 1.860 16.229 3.057 118 2H4 C 11 H42 C 11 3.138 16.381 4.240 119 H5 C 11 H5 C 11 5.358 17.134 3.697 120 H6 C 11 H6 C 11 6.838 17.902 1.899 121 1H5* G 12 2H5* G 12 8.972 17.188 -2.915 122 2H5* G 12 1H5* G 12 10.586 17.836 -3.263 123 H4* G 12 H4* G 12 10.238 16.694 -5.609 124 H3* G 12 H3* G 12 7.965 15.612 -3.997 125 H2* G 12 H2* G 12 8.532 13.384 -4.196 126 2HO* G 12 2HO* G 12 8.477 13.132 -6.364 127 H1* G 12 H1* G 12 11.317 13.550 -4.689 128 H8 G 12 H8 G 12 12.527 12.876 -2.439 129 H1 G 12 H1 G 12 7.064 13.170 0.826 130 1H2 G 12 H21 G 12 5.488 14.112 -0.399 131 2H2 G 12 H22 G 12 5.772 14.675 -2.031 132 1H5* A 13 2H5* A 13 6.860 12.002 -8.440 133 2H5* A 13 1H5* A 13 5.706 12.591 -7.227 134 H4* A 13 H4* A 13 8.272 11.038 -6.779 135 H3* A 13 H3* A 13 5.313 10.596 -6.293 136 H2* A 13 H2* A 13 5.790 9.426 -4.299 137 2HO* A 13 2HO* A 13 8.500 9.366 -4.300 138 H1* A 13 H1* A 13 7.857 11.000 -3.391 139 H8 A 13 H8 A 13 5.381 13.465 -4.550 140 1H6 A 13 H61 A 13 1.919 12.231 0.391 141 2H6 A 13 H62 A 13 2.162 13.324 -0.953 142 H2 A 13 H2 A 13 5.090 9.060 0.087 143 1H5* G 14 2H5* G 14 7.888 7.496 -6.406 144 2H5* G 14 1H5* G 14 7.690 5.738 -6.526 145 H4* G 14 H4* G 14 8.318 6.876 -4.223 146 H3* G 14 H3* G 14 7.178 4.383 -4.893 147 H2* G 14 H2* G 14 4.972 4.788 -4.229 148 2HO* G 14 2HO* G 14 5.023 3.566 -2.514 149 H1* G 14 H1* G 14 5.691 6.754 -2.084 150 H8 G 14 H8 G 14 3.979 7.516 -5.416 151 H1 G 14 H1 G 14 -0.031 6.860 -0.507 152 1H2 G 14 H21 G 14 1.070 6.145 1.271 153 2H2 G 14 H22 G 14 2.789 5.825 1.251 154 1H5* U 15 2H5* U 15 9.836 5.219 -0.895 155 2H5* U 15 1H5* U 15 11.038 4.054 -1.487 156 H4* U 15 H4* U 15 11.574 4.059 0.756 157 H3* U 15 H3* U 15 9.366 2.029 0.382 158 H2* U 15 H2* U 15 9.579 1.497 2.699 159 2HO* U 15 2HO* U 15 11.580 3.329 3.264 160 H1* U 15 H1* U 15 9.644 4.080 3.553 161 H3 U 15 H3 U 15 5.513 2.755 4.745 162 H5 U 15 H5 U 15 5.228 3.310 0.577 163 H6 U 15 H6 U 15 7.625 3.653 0.522 164 1H5* G 16 2H5* G 16 9.329 -1.562 -0.891 165 2H5* G 16 1H5* G 16 8.177 -0.610 -1.847 166 H4* G 16 H4* G 16 8.326 -0.791 1.205 167 H3* G 16 H3* G 16 6.465 -1.945 -0.981 168 H2* G 16 H2* G 16 4.578 -1.561 0.352 169 2HO* G 16 2HO* G 16 5.599 -0.816 2.742 170 H1* G 16 H1* G 16 5.414 0.792 1.667 171 H8 G 16 H8 G 16 5.862 0.989 -2.106 172 H1 G 16 H1 G 16 -0.145 2.016 -0.203 173 1H2 G 16 H21 G 16 -0.358 1.510 1.943 174 2H2 G 16 H22 G 16 0.979 0.925 2.909 175 1H5* C 17 2H5* C 17 5.708 -2.917 3.370 176 2H5* C 17 1H5* C 17 5.969 -4.672 3.403 177 H4* C 17 H4* C 17 4.199 -4.140 4.961 178 H3* C 17 H3* C 17 3.383 -5.513 2.383 179 H2* C 17 H2* C 17 1.120 -5.485 3.026 180 2HO* C 17 2HO* C 17 0.615 -5.839 5.051 181 H1* C 17 H1* C 17 1.088 -2.988 4.307 182 1H4 C 17 H41 C 17 -1.504 -2.172 -1.447 183 2H4 C 17 H42 C 17 0.071 -2.254 -2.203 184 H5 C 17 H5 C 17 2.092 -2.723 -0.989 185 H6 C 17 H6 C 17 3.052 -3.215 1.212 186 1H5* A 18 2H5* A 18 1.605 -7.373 6.308 187 2H5* A 18 1H5* A 18 1.762 -9.118 6.017 188 H4* A 18 H4* A 18 -0.482 -8.454 6.900 189 H3* A 18 H3* A 18 -0.090 -9.871 4.274 190 H2* A 18 H2* A 18 -2.377 -9.715 3.712 191 2HO* A 18 2HO* A 18 -3.974 -9.341 5.232 192 H1* A 18 H1* A 18 -2.887 -7.187 4.562 193 H8 A 18 H8 A 18 0.596 -7.621 3.072 194 1H6 A 18 H61 A 18 -1.965 -6.435 -2.411 195 2H6 A 18 H62 A 18 -0.459 -6.686 -1.558 196 H2 A 18 H2 A 18 -5.262 -6.812 0.626 197 1H5* U 19 2H5* U 19 -3.238 -12.344 6.662 198 2H5* U 19 1H5* U 19 -3.323 -13.913 5.837 199 H4* U 19 H4* U 19 -5.395 -12.274 5.790 200 H3* U 19 H3* U 19 -4.250 -13.967 3.553 201 H2* U 19 H2* U 19 -5.841 -13.117 2.035 202 2HO* U 19 2HO* U 19 -7.734 -12.109 2.706 203 H1* U 19 H1* U 19 -5.837 -10.469 2.911 204 H3 U 19 H3 U 19 -4.051 -10.699 -1.302 205 H5 U 19 H5 U 19 -0.891 -11.824 1.323 206 H6 U 19 H6 U 19 -2.509 -11.827 3.131 207 1H5* C 20 2H5* C 20 -8.816 -15.037 3.952 208 2H5* C 20 1H5* C 20 -8.914 -16.673 3.270 209 H4* C 20 H4* C 20 -10.293 -14.697 2.194 210 H3* C 20 H3* C 20 -8.749 -16.916 0.818 211 H2* C 20 H2* C 20 -9.282 -16.015 -1.302 212 2HO* C 20 2HO* C 20 -10.896 -14.281 -1.438 213 H1* C 20 H1* C 20 -9.026 -13.343 -0.684 214 1H4 C 20 H41 C 20 -3.668 -15.350 -3.515 215 2H4 C 20 H42 C 20 -2.983 -15.701 -1.944 216 H5 C 20 H5 C 20 -4.241 -15.544 0.106 217 H6 C 20 H6 C 20 -6.424 -15.017 1.092 218 1H5* C 21 2H5* C 21 -11.593 -15.843 -1.974 219 2H5* C 21 1H5* C 21 -12.730 -17.206 -1.978 220 H4* C 21 H4* C 21 -12.156 -16.748 -4.273 221 H3* C 21 H3* C 21 -10.782 -19.161 -3.065 222 H2* C 21 H2* C 21 -9.650 -19.564 -5.035 223 2HO* C 21 2HO* C 21 -10.499 -19.143 -7.024 224 H1* C 21 H1* C 21 -9.688 -16.846 -6.012 225 1H4 C 21 H41 C 21 -3.547 -18.236 -5.177 226 2H4 C 21 H42 C 21 -3.793 -18.509 -3.466 227 H5 C 21 H5 C 21 -5.952 -18.391 -2.406 228 H6 C 21 H6 C 21 -8.346 -17.983 -2.757 229 H3T C 21 H3T C 21 -12.650 -19.235 -5.149 Start of MODEL 8 1 1H5* G 1 2H5* G 1 1.742 -16.513 -14.208 2 2H5* G 1 1H5* G 1 1.594 -14.953 -15.044 3 H4* G 1 H4* G 1 -0.508 -15.739 -15.498 4 H3* G 1 H3* G 1 -0.615 -14.490 -12.744 5 H2* G 1 H2* G 1 -2.818 -15.269 -12.413 6 2HO* G 1 2HO* G 1 -2.832 -15.272 -15.203 7 H1* G 1 H1* G 1 -2.575 -17.740 -13.554 8 H8 G 1 H8 G 1 0.531 -17.637 -11.642 9 H1 G 1 H1 G 1 -4.484 -17.734 -7.705 10 1H2 G 1 H21 G 1 -6.340 -17.269 -8.828 11 2H2 G 1 H22 G 1 -6.340 -16.934 -10.545 12 H5T G 1 H5T G 1 2.397 -14.956 -12.797 13 1H5* G 2 2H5* G 2 -4.463 -14.435 -13.987 14 2H5* G 2 1H5* G 2 -4.647 -12.820 -14.700 15 H4* G 2 H4* G 2 -6.681 -13.105 -13.589 16 H3* G 2 H3* G 2 -4.675 -11.572 -11.937 17 H2* G 2 H2* G 2 -5.978 -11.650 -10.007 18 2HO* G 2 2HO* G 2 -8.364 -12.263 -10.381 19 H1* G 2 H1* G 2 -7.387 -14.041 -10.439 20 H8 G 2 H8 G 2 -3.610 -14.395 -10.629 21 H1 G 2 H1 G 2 -5.876 -14.488 -4.673 22 1H2 G 2 H21 G 2 -8.026 -13.914 -4.675 23 2H2 G 2 H22 G 2 -8.889 -13.510 -6.141 24 1H5* A 3 2H5* A 3 -7.922 -10.068 -11.182 25 2H5* A 3 1H5* A 3 -8.438 -8.431 -11.610 26 H4* A 3 H4* A 3 -8.958 -8.640 -9.330 27 H3* A 3 H3* A 3 -6.416 -7.123 -9.929 28 H2* A 3 H2* A 3 -5.832 -7.104 -7.689 29 2HO* A 3 2HO* A 3 -8.333 -7.258 -6.538 30 H1* A 3 H1* A 3 -7.865 -9.084 -6.875 31 H8 A 3 H8 A 3 -4.392 -9.591 -8.468 32 1H6 A 3 H61 A 3 -2.421 -11.092 -2.843 33 2H6 A 3 H62 A 3 -1.978 -10.948 -4.527 34 H2 A 3 H2 A 3 -6.726 -9.858 -2.514 35 1H5* U 4 2H5* U 4 -10.172 -5.064 -7.571 36 2H5* U 4 1H5* U 4 -9.823 -3.328 -7.451 37 H4* U 4 H4* U 4 -10.651 -4.523 -5.325 38 H3* U 4 H3* U 4 -8.220 -2.729 -5.546 39 H2* U 4 H2* U 4 -7.652 -3.104 -3.303 40 2HO* U 4 2HO* U 4 -10.220 -2.940 -2.937 41 H1* U 4 H1* U 4 -8.518 -5.742 -3.052 42 H3 U 4 H3 U 4 -4.133 -5.954 -2.106 43 H5 U 4 H5 U 4 -4.227 -5.060 -6.268 44 H6 U 4 H6 U 4 -6.639 -4.825 -6.076 45 1H5* G 5 2H5* G 5 -11.765 -1.565 -1.736 46 2H5* G 5 1H5* G 5 -11.257 0.130 -1.870 47 H4* G 5 H4* G 5 -11.441 -0.915 0.502 48 H3* G 5 H3* G 5 -9.247 0.802 -0.633 49 H2* G 5 H2* G 5 -7.825 0.468 1.218 50 2HO* G 5 2HO* G 5 -10.086 -0.633 2.590 51 H1* G 5 H1* G 5 -8.275 -2.172 1.686 52 H8 G 5 H8 G 5 -8.281 -1.323 -2.028 53 H1 G 5 H1 G 5 -2.444 -2.261 0.351 54 1H2 G 5 H21 G 5 -2.541 -2.451 2.556 55 2H2 G 5 H22 G 5 -4.045 -2.345 3.443 56 1H5* C 6 2H5* C 6 -8.862 1.095 3.669 57 2H5* C 6 1H5* C 6 -8.981 2.833 3.972 58 H4* C 6 H4* C 6 -6.857 1.572 4.753 59 H3* C 6 H3* C 6 -7.075 4.241 3.333 60 H2* C 6 H2* C 6 -4.797 4.287 2.958 61 2HO* C 6 2HO* C 6 -4.595 4.370 5.353 62 H1* C 6 H1* C 6 -4.344 1.478 3.699 63 1H4 C 6 H41 C 6 -1.074 2.382 -1.700 64 2H4 C 6 H42 C 6 -2.545 2.791 -2.555 65 H5 C 6 H5 C 6 -4.698 2.944 -1.479 66 H6 C 6 H6 C 6 -5.904 2.732 0.645 67 1H5* C 7 2H5* C 7 -4.927 5.088 7.547 68 2H5* C 7 1H5* C 7 -4.848 6.860 7.622 69 H4* C 7 H4* C 7 -2.627 5.423 7.467 70 H3* C 7 H3* C 7 -3.298 7.999 5.996 71 H2* C 7 H2* C 7 -1.211 7.918 4.938 72 2HO* C 7 2HO* C 7 0.077 5.922 6.219 73 H1* C 7 H1* C 7 -0.952 5.114 4.810 74 1H4 C 7 H41 C 7 -1.858 7.183 -1.123 75 2H4 C 7 H42 C 7 -3.505 7.649 -0.758 76 H5 C 7 H5 C 7 -4.471 7.468 1.447 77 H6 C 7 H6 C 7 -4.059 6.807 3.773 78 1H5* U 8 2H5* U 8 0.596 7.686 8.584 79 2H5* U 8 1H5* U 8 1.284 9.298 8.848 80 H4* U 8 H4* U 8 2.746 7.374 7.783 81 H3* U 8 H3* U 8 2.608 10.310 7.024 82 H2* U 8 H2* U 8 4.164 9.944 5.273 83 2HO* U 8 2HO* U 8 5.738 8.577 5.607 84 H1* U 8 H1* U 8 3.184 7.554 4.364 85 H3 U 8 H3 U 8 2.430 10.864 1.307 86 H5 U 8 H5 U 8 -0.727 11.210 4.069 87 H6 U 8 H6 U 8 0.399 9.562 5.459 88 1H5* C 9 2H5* C 9 7.220 9.617 6.802 89 2H5* C 9 1H5* C 9 7.663 11.162 7.557 90 H4* C 9 H4* C 9 8.353 10.665 5.061 91 H3* C 9 H3* C 9 7.616 13.120 6.498 92 H2* C 9 H2* C 9 6.430 14.160 4.831 93 2HO* C 9 2HO* C 9 8.132 13.444 2.744 94 H1* C 9 H1* C 9 6.703 12.144 2.706 95 1H4 C 9 H41 C 9 0.722 14.260 2.302 96 2H4 C 9 H42 C 9 0.388 13.750 3.940 97 H5 C 9 H5 C 9 2.058 12.790 5.393 98 H6 C 9 H6 C 9 4.398 12.107 5.583 99 1H5* C 10 2H5* C 10 8.809 16.050 5.710 100 2H5* C 10 1H5* C 10 9.172 14.784 4.519 101 H4* C 10 H4* C 10 10.605 17.426 4.957 102 H3* C 10 H3* C 10 8.540 16.751 3.190 103 H2* C 10 H2* C 10 9.693 15.094 1.955 104 2HO* C 10 2HO* C 10 10.543 16.091 0.081 105 H1* C 10 H1* C 10 12.298 16.595 2.046 106 1H4 C 10 H41 C 10 14.273 10.869 0.162 107 2H4 C 10 H42 C 10 13.294 10.070 1.372 108 H5 C 10 H5 C 10 11.827 11.250 2.873 109 H6 C 10 H6 C 10 10.977 13.460 3.537 110 1H5* C 11 2H5* C 11 10.015 18.238 0.634 111 2H5* C 11 1H5* C 11 10.158 19.880 -0.024 112 H4* C 11 H4* C 11 9.593 18.257 -1.796 113 H3* C 11 H3* C 11 8.379 20.709 -1.471 114 H2* C 11 H2* C 11 6.435 19.946 -0.324 115 2HO* C 11 2HO* C 11 5.813 19.481 -3.080 116 H1* C 11 H1* C 11 6.219 17.515 -2.096 117 1H4 C 11 H41 C 11 2.013 16.266 2.509 118 2H4 C 11 H42 C 11 3.270 16.356 3.723 119 H5 C 11 H5 C 11 5.544 16.978 3.223 120 H6 C 11 H6 C 11 7.103 17.646 1.452 121 1H5* G 12 2H5* G 12 7.932 17.554 -4.849 122 2H5* G 12 1H5* G 12 8.670 16.985 -3.338 123 H4* G 12 H4* G 12 9.587 16.207 -6.135 124 H3* G 12 H3* G 12 7.611 15.010 -4.213 125 H2* G 12 H2* G 12 8.542 12.879 -4.290 126 2HO* G 12 2HO* G 12 8.964 12.086 -6.197 127 H1* G 12 H1* G 12 11.239 13.527 -4.848 128 H8 G 12 H8 G 12 12.505 13.068 -2.613 129 H1 G 12 H1 G 12 7.136 13.286 0.815 130 1H2 G 12 H21 G 12 5.461 14.014 -0.434 131 2H2 G 12 H22 G 12 5.662 14.449 -2.118 132 1H5* A 13 2H5* A 13 6.920 12.876 -7.764 133 2H5* A 13 1H5* A 13 5.419 11.928 -7.734 134 H4* A 13 H4* A 13 7.779 10.930 -6.898 135 H3* A 13 H3* A 13 4.927 10.397 -6.117 136 H2* A 13 H2* A 13 5.512 9.199 -4.175 137 2HO* A 13 2HO* A 13 8.236 9.183 -5.027 138 H1* A 13 H1* A 13 7.569 10.715 -3.277 139 H8 A 13 H8 A 13 5.246 13.274 -4.573 140 1H6 A 13 H61 A 13 1.678 12.406 0.375 141 2H6 A 13 H62 A 13 1.990 13.440 -1.002 142 H2 A 13 H2 A 13 4.668 9.059 0.206 143 1H5* G 14 2H5* G 14 7.509 7.319 -6.375 144 2H5* G 14 1H5* G 14 7.284 5.567 -6.538 145 H4* G 14 H4* G 14 8.023 6.628 -4.230 146 H3* G 14 H3* G 14 6.855 4.168 -4.916 147 H2* G 14 H2* G 14 4.655 4.584 -4.232 148 2HO* G 14 2HO* G 14 4.400 3.974 -2.067 149 H1* G 14 H1* G 14 5.404 6.464 -2.024 150 H8 G 14 H8 G 14 3.688 7.259 -5.366 151 H1 G 14 H1 G 14 -0.281 6.815 -0.401 152 1H2 G 14 H21 G 14 0.822 6.120 1.382 153 2H2 G 14 H22 G 14 2.533 5.762 1.354 154 1H5* U 15 2H5* U 15 9.506 5.023 -1.063 155 2H5* U 15 1H5* U 15 10.863 4.036 -1.645 156 H4* U 15 H4* U 15 11.394 3.967 0.573 157 H3* U 15 H3* U 15 9.208 1.898 0.276 158 H2* U 15 H2* U 15 9.509 1.408 2.595 159 2HO* U 15 2HO* U 15 11.271 3.033 3.539 160 H1* U 15 H1* U 15 9.512 4.009 3.390 161 H3 U 15 H3 U 15 5.408 2.745 4.686 162 H5 U 15 H5 U 15 5.098 2.906 0.486 163 H6 U 15 H6 U 15 7.484 3.313 0.388 164 1H5* G 16 2H5* G 16 9.188 -1.702 -1.029 165 2H5* G 16 1H5* G 16 7.993 -0.744 -1.926 166 H4* G 16 H4* G 16 8.229 -1.029 1.112 167 H3* G 16 H3* G 16 6.315 -2.094 -1.069 168 H2* G 16 H2* G 16 4.455 -1.752 0.309 169 2HO* G 16 2HO* G 16 4.610 -2.379 2.316 170 H1* G 16 H1* G 16 5.350 0.518 1.745 171 H8 G 16 H8 G 16 5.615 0.827 -2.053 172 H1 G 16 H1 G 16 -0.219 2.065 0.228 173 1H2 G 16 H21 G 16 -0.329 1.517 2.371 174 2H2 G 16 H22 G 16 1.034 0.852 3.242 175 1H5* C 17 2H5* C 17 5.903 -3.317 3.410 176 2H5* C 17 1H5* C 17 5.852 -5.088 3.312 177 H4* C 17 H4* C 17 4.297 -4.196 5.029 178 H3* C 17 H3* C 17 3.251 -5.698 2.613 179 H2* C 17 H2* C 17 1.030 -5.419 3.319 180 2HO* C 17 2HO* C 17 0.469 -5.087 5.441 181 H1* C 17 H1* C 17 1.261 -2.852 4.446 182 1H4 C 17 H41 C 17 -1.607 -2.241 -1.203 183 2H4 C 17 H42 C 17 -0.081 -2.444 -2.031 184 H5 C 17 H5 C 17 1.972 -2.949 -0.897 185 H6 C 17 H6 C 17 3.025 -3.370 1.279 186 1H5* A 18 2H5* A 18 0.920 -6.648 6.155 187 2H5* A 18 1H5* A 18 1.434 -8.307 6.519 188 H4* A 18 H4* A 18 -0.896 -8.286 6.940 189 H3* A 18 H3* A 18 -0.097 -9.543 4.324 190 H2* A 18 H2* A 18 -2.339 -9.787 3.617 191 2HO* A 18 2HO* A 18 -3.228 -9.045 6.229 192 H1* A 18 H1* A 18 -3.338 -7.407 4.445 193 H8 A 18 H8 A 18 0.287 -7.478 3.157 194 1H6 A 18 H61 A 18 -2.060 -6.046 -2.358 195 2H6 A 18 H62 A 18 -0.587 -6.291 -1.447 196 H2 A 18 H2 A 18 -5.477 -6.753 0.476 197 1H5* U 19 2H5* U 19 -3.293 -12.212 6.509 198 2H5* U 19 1H5* U 19 -3.169 -13.793 5.710 199 H4* U 19 H4* U 19 -5.400 -12.384 5.535 200 H3* U 19 H3* U 19 -3.976 -13.981 3.388 201 H2* U 19 H2* U 19 -5.576 -13.332 1.785 202 2HO* U 19 2HO* U 19 -7.353 -13.722 3.370 203 H1* U 19 H1* U 19 -5.912 -10.688 2.621 204 H3 U 19 H3 U 19 -3.948 -10.522 -1.476 205 H5 U 19 H5 U 19 -0.827 -11.750 1.154 206 H6 U 19 H6 U 19 -2.490 -11.903 2.915 207 1H5* C 20 2H5* C 20 -8.351 -15.532 3.764 208 2H5* C 20 1H5* C 20 -8.390 -17.129 2.991 209 H4* C 20 H4* C 20 -9.830 -15.140 2.019 210 H3* C 20 H3* C 20 -8.214 -17.229 0.528 211 H2* C 20 H2* C 20 -8.774 -16.226 -1.540 212 2HO* C 20 2HO* C 20 -10.406 -14.363 -1.363 213 H1* C 20 H1* C 20 -8.579 -13.591 -0.777 214 1H4 C 20 H41 C 20 -3.162 -15.335 -3.659 215 2H4 C 20 H42 C 20 -2.483 -15.769 -2.106 216 H5 C 20 H5 C 20 -3.762 -15.754 -0.058 217 H6 C 20 H6 C 20 -5.962 -15.320 0.934 218 1H5* C 21 2H5* C 21 -11.326 -16.448 -2.086 219 2H5* C 21 1H5* C 21 -12.287 -17.939 -2.124 220 H4* C 21 H4* C 21 -11.830 -17.215 -4.409 221 H3* C 21 H3* C 21 -10.334 -19.654 -3.416 222 H2* C 21 H2* C 21 -9.245 -19.867 -5.436 223 2HO* C 21 2HO* C 21 -11.073 -20.010 -6.744 224 H1* C 21 H1* C 21 -9.448 -17.090 -6.222 225 1H4 C 21 H41 C 21 -3.224 -18.303 -5.784 226 2H4 C 21 H42 C 21 -3.368 -18.647 -4.075 227 H5 C 21 H5 C 21 -5.471 -18.648 -2.900 228 H6 C 21 H6 C 21 -7.892 -18.320 -3.109 229 H3T C 21 H3T C 21 -11.954 -20.662 -4.650 Start of MODEL 9 1 1H5* G 1 2H5* G 1 0.329 -17.153 -13.790 2 2H5* G 1 1H5* G 1 0.265 -15.615 -14.675 3 H4* G 1 H4* G 1 -1.787 -16.415 -15.307 4 H3* G 1 H3* G 1 -2.142 -15.082 -12.618 5 H2* G 1 H2* G 1 -4.360 -15.865 -12.440 6 2HO* G 1 2HO* G 1 -5.368 -16.875 -14.350 7 H1* G 1 H1* G 1 -4.026 -18.367 -13.478 8 H8 G 1 H8 G 1 -1.097 -18.370 -11.383 9 H1 G 1 H1 G 1 -6.300 -17.885 -7.730 10 1H2 G 1 H21 G 1 -8.051 -17.323 -8.971 11 2H2 G 1 H22 G 1 -7.936 -17.067 -10.697 12 H5T G 1 H5T G 1 -0.589 -15.956 -11.988 13 1H5* G 2 2H5* G 2 -5.858 -14.932 -13.926 14 2H5* G 2 1H5* G 2 -5.958 -13.371 -14.763 15 H4* G 2 H4* G 2 -8.008 -13.422 -13.678 16 H3* G 2 H3* G 2 -5.929 -11.978 -12.052 17 H2* G 2 H2* G 2 -7.210 -11.935 -10.112 18 2HO* G 2 2HO* G 2 -9.673 -12.554 -11.252 19 H1* G 2 H1* G 2 -8.833 -14.201 -10.502 20 H8 G 2 H8 G 2 -5.128 -14.959 -10.652 21 H1 G 2 H1 G 2 -7.361 -14.525 -4.698 22 1H2 G 2 H21 G 2 -9.428 -13.714 -4.721 23 2H2 G 2 H22 G 2 -10.251 -13.281 -6.202 24 1H5* A 3 2H5* A 3 -9.038 -10.288 -11.248 25 2H5* A 3 1H5* A 3 -9.454 -8.632 -11.709 26 H4* A 3 H4* A 3 -9.922 -8.734 -9.414 27 H3* A 3 H3* A 3 -7.278 -7.448 -10.107 28 H2* A 3 H2* A 3 -6.662 -7.399 -7.880 29 2HO* A 3 2HO* A 3 -8.186 -6.842 -6.264 30 H1* A 3 H1* A 3 -8.836 -9.184 -6.980 31 H8 A 3 H8 A 3 -5.430 -10.036 -8.573 32 1H6 A 3 H61 A 3 -3.479 -11.303 -2.883 33 2H6 A 3 H62 A 3 -3.051 -11.291 -4.577 34 H2 A 3 H2 A 3 -7.696 -9.788 -2.590 35 1H5* U 4 2H5* U 4 -10.700 -4.557 -7.699 36 2H5* U 4 1H5* U 4 -9.841 -3.005 -7.665 37 H4* U 4 H4* U 4 -10.865 -4.000 -5.455 38 H3* U 4 H3* U 4 -8.183 -2.646 -5.867 39 H2* U 4 H2* U 4 -7.593 -3.019 -3.625 40 2HO* U 4 2HO* U 4 -9.947 -2.303 -3.087 41 H1* U 4 H1* U 4 -8.871 -5.470 -3.235 42 H3 U 4 H3 U 4 -4.536 -6.323 -2.401 43 H5 U 4 H5 U 4 -4.643 -5.647 -6.601 44 H6 U 4 H6 U 4 -6.982 -5.022 -6.354 45 1H5* G 5 2H5* G 5 -11.184 -1.140 -2.148 46 2H5* G 5 1H5* G 5 -10.675 0.561 -2.121 47 H4* G 5 H4* G 5 -10.852 -0.596 0.151 48 H3* G 5 H3* G 5 -8.484 0.946 -0.889 49 H2* G 5 H2* G 5 -7.116 0.347 0.940 50 2HO* G 5 2HO* G 5 -9.608 -0.152 2.185 51 H1* G 5 H1* G 5 -7.845 -2.254 1.227 52 H8 G 5 H8 G 5 -7.740 -1.160 -2.421 53 H1 G 5 H1 G 5 -2.038 -2.800 -0.093 54 1H2 G 5 H21 G 5 -2.177 -3.130 2.094 55 2H2 G 5 H22 G 5 -3.675 -2.945 2.979 56 1H5* C 6 2H5* C 6 -8.005 0.883 3.407 57 2H5* C 6 1H5* C 6 -8.052 2.601 3.819 58 H4* C 6 H4* C 6 -6.001 1.276 4.578 59 H3* C 6 H3* C 6 -6.029 3.923 3.098 60 H2* C 6 H2* C 6 -3.721 3.836 2.844 61 2HO* C 6 2HO* C 6 -2.423 3.375 4.532 62 H1* C 6 H1* C 6 -3.490 0.999 3.559 63 1H4 C 6 H41 C 6 -0.042 1.825 -1.746 64 2H4 C 6 H42 C 6 -1.466 2.336 -2.625 65 H5 C 6 H5 C 6 -3.635 2.576 -1.603 66 H6 C 6 H6 C 6 -4.911 2.372 0.486 67 1H5* C 7 2H5* C 7 -3.750 4.625 7.300 68 2H5* C 7 1H5* C 7 -3.589 6.391 7.338 69 H4* C 7 H4* C 7 -1.438 4.839 7.281 70 H3* C 7 H3* C 7 -1.895 7.401 5.691 71 H2* C 7 H2* C 7 0.290 7.169 4.842 72 2HO* C 7 2HO* C 7 1.268 6.853 6.918 73 H1* C 7 H1* C 7 0.337 4.335 4.836 74 1H4 C 7 H41 C 7 0.249 6.277 -1.208 75 2H4 C 7 H42 C 7 -1.481 6.523 -1.119 76 H5 C 7 H5 C 7 -2.742 6.293 0.927 77 H6 C 7 H6 C 7 -2.604 5.781 3.322 78 1H5* U 8 2H5* U 8 1.307 8.388 9.236 79 2H5* U 8 1H5* U 8 1.448 10.155 9.192 80 H4* U 8 H4* U 8 3.573 8.631 8.814 81 H3* U 8 H3* U 8 2.760 11.188 7.409 82 H2* U 8 H2* U 8 4.585 11.024 5.923 83 2HO* U 8 2HO* U 8 5.641 9.280 7.905 84 H1* U 8 H1* U 8 4.584 8.301 5.530 85 H3 U 8 H3 U 8 3.418 10.186 1.579 86 H5 U 8 H5 U 8 -0.054 10.526 3.944 87 H6 U 8 H6 U 8 1.229 9.690 5.826 88 1H5* C 9 2H5* C 9 7.249 12.038 7.849 89 2H5* C 9 1H5* C 9 7.106 13.751 8.295 90 H4* C 9 H4* C 9 8.286 13.062 6.036 91 H3* C 9 H3* C 9 6.663 15.381 6.841 92 H2* C 9 H2* C 9 5.537 15.719 4.870 93 2HO* C 9 2HO* C 9 7.578 15.172 3.102 94 H1* C 9 H1* C 9 6.645 13.521 3.273 95 1H4 C 9 H41 C 9 0.426 13.654 1.960 96 2H4 C 9 H42 C 9 0.028 13.323 3.630 97 H5 C 9 H5 C 9 1.685 13.152 5.375 98 H6 C 9 H6 C 9 4.074 13.257 5.889 99 1H5* C 10 2H5* C 10 7.332 18.883 5.922 100 2H5* C 10 1H5* C 10 7.345 17.455 4.868 101 H4* C 10 H4* C 10 8.151 20.253 4.299 102 H3* C 10 H3* C 10 6.399 18.409 3.133 103 H2* C 10 H2* C 10 8.042 16.912 2.297 104 2HO* C 10 2HO* C 10 6.914 18.305 0.524 105 H1* C 10 H1* C 10 9.885 19.164 1.516 106 1H4 C 10 H41 C 10 13.785 14.186 0.977 107 2H4 C 10 H42 C 10 13.318 13.586 2.553 108 H5 C 10 H5 C 10 11.636 14.634 3.920 109 H6 C 10 H6 C 10 10.024 16.481 4.066 110 1H5* C 11 2H5* C 11 7.241 20.067 -0.103 111 2H5* C 11 1H5* C 11 6.457 21.406 -0.967 112 H4* C 11 H4* C 11 6.835 19.319 -2.352 113 H3* C 11 H3* C 11 4.688 21.070 -2.461 114 H2* C 11 H2* C 11 3.140 19.804 -1.195 115 2HO* C 11 2HO* C 11 1.750 19.179 -2.679 116 H1* C 11 H1* C 11 4.098 17.176 -2.300 117 1H4 C 11 H41 C 11 0.552 15.482 2.702 118 2H4 C 11 H42 C 11 1.600 16.376 3.782 119 H5 C 11 H5 C 11 3.437 17.731 3.016 120 H6 C 11 H6 C 11 4.668 18.523 1.051 121 1H5* G 12 2H5* G 12 5.900 17.552 -5.055 122 2H5* G 12 1H5* G 12 6.834 17.489 -3.548 123 H4* G 12 H4* G 12 7.951 16.944 -6.325 124 H3* G 12 H3* G 12 6.743 15.186 -4.206 125 H2* G 12 H2* G 12 8.511 13.666 -4.209 126 2HO* G 12 2HO* G 12 8.612 14.419 -6.876 127 H1* G 12 H1* G 12 10.642 15.382 -4.893 128 H8 G 12 H8 G 12 12.001 15.474 -2.699 129 H1 G 12 H1 G 12 6.885 14.412 0.955 130 1H2 G 12 H21 G 12 5.050 14.417 -0.284 131 2H2 G 12 H22 G 12 5.083 14.683 -2.013 132 1H5* A 13 2H5* A 13 8.864 12.257 -6.948 133 2H5* A 13 1H5* A 13 7.592 11.022 -7.058 134 H4* A 13 H4* A 13 9.972 10.635 -5.788 135 H3* A 13 H3* A 13 7.236 9.417 -5.554 136 H2* A 13 H2* A 13 7.705 8.375 -3.482 137 2HO* A 13 2HO* A 13 10.455 9.093 -3.717 138 H1* A 13 H1* A 13 9.035 10.372 -2.254 139 H8 A 13 H8 A 13 6.256 11.529 -4.641 140 1H6 A 13 H61 A 13 2.433 11.078 0.171 141 2H6 A 13 H62 A 13 2.581 11.578 -1.499 142 H2 A 13 H2 A 13 6.449 9.500 1.425 143 1H5* G 14 2H5* G 14 10.542 6.696 -4.772 144 2H5* G 14 1H5* G 14 10.163 4.963 -4.837 145 H4* G 14 H4* G 14 10.822 6.101 -2.546 146 H3* G 14 H3* G 14 8.804 3.942 -3.165 147 H2* G 14 H2* G 14 7.741 4.092 -1.104 148 2HO* G 14 2HO* G 14 10.168 4.140 -0.229 149 H1* G 14 H1* G 14 8.224 6.772 -0.421 150 H8 G 14 H8 G 14 6.640 6.494 -3.841 151 H1 G 14 H1 G 14 2.404 5.822 0.857 152 1H2 G 14 H21 G 14 3.446 5.578 2.801 153 2H2 G 14 H22 G 14 5.190 5.583 2.938 154 1H5* U 15 2H5* U 15 12.585 3.220 -0.789 155 2H5* U 15 1H5* U 15 13.695 1.840 -0.927 156 H4* U 15 H4* U 15 12.224 0.404 0.254 157 H3* U 15 H3* U 15 10.137 2.382 -0.606 158 H2* U 15 H2* U 15 9.170 2.518 1.479 159 2HO* U 15 2HO* U 15 8.222 0.578 1.572 160 H1* U 15 H1* U 15 11.209 1.035 2.973 161 H3 U 15 H3 U 15 9.188 4.190 5.696 162 H5 U 15 H5 U 15 12.021 6.241 3.339 163 H6 U 15 H6 U 15 12.280 4.213 2.017 164 1H5* G 16 2H5* G 16 10.185 -2.022 -0.849 165 2H5* G 16 1H5* G 16 9.170 -3.212 -1.691 166 H4* G 16 H4* G 16 8.796 -2.645 0.896 167 H3* G 16 H3* G 16 6.774 -3.214 -1.365 168 H2* G 16 H2* G 16 4.961 -2.740 0.042 169 2HO* G 16 2HO* G 16 5.871 -2.486 2.499 170 H1* G 16 H1* G 16 6.147 -0.756 1.667 171 H8 G 16 H8 G 16 6.602 -0.034 -2.027 172 H1 G 16 H1 G 16 0.761 1.432 0.107 173 1H2 G 16 H21 G 16 0.484 0.650 2.160 174 2H2 G 16 H22 G 16 1.736 -0.228 3.009 175 1H5* C 17 2H5* C 17 6.149 -4.744 2.886 176 2H5* C 17 1H5* C 17 5.898 -6.490 2.699 177 H4* C 17 H4* C 17 4.462 -5.547 4.477 178 H3* C 17 H3* C 17 3.219 -6.710 1.968 179 H2* C 17 H2* C 17 1.054 -6.225 2.753 180 2HO* C 17 2HO* C 17 0.619 -6.480 4.809 181 H1* C 17 H1* C 17 1.616 -3.780 4.014 182 1H4 C 17 H41 C 17 -1.150 -2.560 -1.599 183 2H4 C 17 H42 C 17 0.381 -2.772 -2.415 184 H5 C 17 H5 C 17 2.377 -3.490 -1.297 185 H6 C 17 H6 C 17 3.358 -4.166 0.847 186 1H5* A 18 2H5* A 18 1.209 -8.264 5.969 187 2H5* A 18 1H5* A 18 0.914 -9.966 5.563 188 H4* A 18 H4* A 18 -1.069 -8.684 6.523 189 H3* A 18 H3* A 18 -1.076 -10.288 3.973 190 H2* A 18 H2* A 18 -3.274 -9.611 3.426 191 2HO* A 18 2HO* A 18 -3.480 -8.568 6.084 192 H1* A 18 H1* A 18 -3.123 -6.993 4.119 193 H8 A 18 H8 A 18 0.161 -8.230 2.676 194 1H6 A 18 H61 A 18 -2.160 -6.935 -2.893 195 2H6 A 18 H62 A 18 -0.722 -7.412 -2.017 196 H2 A 18 H2 A 18 -5.446 -6.484 0.137 197 1H5* U 19 2H5* U 19 -4.548 -12.315 6.423 198 2H5* U 19 1H5* U 19 -4.626 -13.926 5.682 199 H4* U 19 H4* U 19 -6.662 -12.287 5.424 200 H3* U 19 H3* U 19 -5.377 -14.026 3.300 201 H2* U 19 H2* U 19 -6.852 -13.198 1.664 202 2HO* U 19 2HO* U 19 -8.865 -12.763 2.172 203 H1* U 19 H1* U 19 -6.950 -10.539 2.532 204 H3 U 19 H3 U 19 -4.968 -10.656 -1.580 205 H5 U 19 H5 U 19 -1.932 -11.873 1.150 206 H6 U 19 H6 U 19 -3.629 -11.918 2.881 207 1H5* C 20 2H5* C 20 -9.863 -15.206 3.751 208 2H5* C 20 1H5* C 20 -10.099 -16.780 2.966 209 H4* C 20 H4* C 20 -11.329 -14.633 2.043 210 H3* C 20 H3* C 20 -9.994 -16.881 0.512 211 H2* C 20 H2* C 20 -10.443 -15.806 -1.545 212 2HO* C 20 2HO* C 20 -11.839 -13.717 -1.246 213 H1* C 20 H1* C 20 -9.931 -13.219 -0.779 214 1H4 C 20 H41 C 20 -4.769 -15.649 -3.659 215 2H4 C 20 H42 C 20 -4.128 -16.094 -2.093 216 H5 C 20 H5 C 20 -5.378 -15.868 -0.043 217 H6 C 20 H6 C 20 -7.511 -15.166 0.944 218 1H5* C 21 2H5* C 21 -12.596 -15.664 -2.282 219 2H5* C 21 1H5* C 21 -13.917 -16.845 -2.190 220 H4* C 21 H4* C 21 -13.441 -16.672 -4.505 221 H3* C 21 H3* C 21 -12.046 -19.038 -3.229 222 H2* C 21 H2* C 21 -11.081 -19.612 -5.250 223 2HO* C 21 2HO* C 21 -13.289 -19.450 -6.275 224 H1* C 21 H1* C 21 -11.024 -16.962 -6.365 225 1H4 C 21 H41 C 21 -4.923 -18.532 -5.579 226 2H4 C 21 H42 C 21 -5.155 -18.796 -3.866 227 H5 C 21 H5 C 21 -7.293 -18.588 -2.776 228 H6 C 21 H6 C 21 -9.672 -18.083 -3.094 229 H3T C 21 H3T C 21 -13.791 -19.890 -4.842 Start of MODEL 10 1 1H5* G 1 2H5* G 1 0.283 -17.599 -14.216 2 2H5* G 1 1H5* G 1 0.306 -16.058 -15.097 3 H4* G 1 H4* G 1 -1.891 -16.586 -15.473 4 H3* G 1 H3* G 1 -1.758 -15.266 -12.755 5 H2* G 1 H2* G 1 -4.019 -15.764 -12.328 6 2HO* G 1 2HO* G 1 -4.150 -15.759 -15.105 7 H1* G 1 H1* G 1 -4.141 -18.260 -13.452 8 H8 G 1 H8 G 1 -1.009 -18.509 -11.580 9 H1 G 1 H1 G 1 -5.953 -17.989 -7.587 10 1H2 G 1 H21 G 1 -7.756 -17.321 -8.693 11 2H2 G 1 H22 G 1 -7.739 -17.005 -10.413 12 H5T G 1 H5T G 1 0.284 -14.969 -13.247 13 1H5* G 2 2H5* G 2 -5.598 -14.802 -13.998 14 2H5* G 2 1H5* G 2 -5.579 -13.212 -14.786 15 H4* G 2 H4* G 2 -7.657 -13.194 -13.732 16 H3* G 2 H3* G 2 -5.529 -11.877 -12.047 17 H2* G 2 H2* G 2 -6.894 -11.734 -10.164 18 2HO* G 2 2HO* G 2 -9.218 -11.779 -10.374 19 H1* G 2 H1* G 2 -8.562 -13.950 -10.574 20 H8 G 2 H8 G 2 -4.840 -14.725 -10.657 21 H1 G 2 H1 G 2 -7.245 -14.463 -4.762 22 1H2 G 2 H21 G 2 -9.317 -13.667 -4.824 23 2H2 G 2 H22 G 2 -10.101 -13.204 -6.317 24 1H5* A 3 2H5* A 3 -8.817 -9.999 -11.373 25 2H5* A 3 1H5* A 3 -8.948 -8.275 -11.743 26 H4* A 3 H4* A 3 -9.728 -8.638 -9.497 27 H3* A 3 H3* A 3 -7.099 -7.208 -9.920 28 H2* A 3 H2* A 3 -6.638 -7.262 -7.656 29 2HO* A 3 2HO* A 3 -8.290 -6.883 -6.120 30 H1* A 3 H1* A 3 -8.746 -9.205 -6.990 31 H8 A 3 H8 A 3 -5.301 -9.904 -8.533 32 1H6 A 3 H61 A 3 -3.400 -11.331 -2.866 33 2H6 A 3 H62 A 3 -2.955 -11.265 -4.555 34 H2 A 3 H2 A 3 -7.629 -9.849 -2.569 35 1H5* U 4 2H5* U 4 -10.490 -5.498 -7.259 36 2H5* U 4 1H5* U 4 -10.493 -3.732 -7.442 37 H4* U 4 H4* U 4 -10.897 -4.377 -5.106 38 H3* U 4 H3* U 4 -8.341 -2.920 -5.835 39 H2* U 4 H2* U 4 -7.577 -3.018 -3.619 40 2HO* U 4 2HO* U 4 -9.910 -2.348 -2.985 41 H1* U 4 H1* U 4 -8.700 -5.466 -2.865 42 H3 U 4 H3 U 4 -4.374 -6.346 -2.226 43 H5 U 4 H5 U 4 -4.581 -5.560 -6.401 44 H6 U 4 H6 U 4 -6.929 -4.998 -6.092 45 1H5* G 5 2H5* G 5 -11.435 -0.714 -2.168 46 2H5* G 5 1H5* G 5 -10.563 0.830 -2.263 47 H4* G 5 H4* G 5 -10.996 -0.291 0.080 48 H3* G 5 H3* G 5 -8.576 1.154 -0.972 49 H2* G 5 H2* G 5 -7.229 0.545 0.864 50 2HO* G 5 2HO* G 5 -8.804 -0.734 2.561 51 H1* G 5 H1* G 5 -8.059 -2.020 1.230 52 H8 G 5 H8 G 5 -7.878 -1.034 -2.446 53 H1 G 5 H1 G 5 -2.269 -2.846 -0.026 54 1H2 G 5 H21 G 5 -2.435 -3.117 2.167 55 2H2 G 5 H22 G 5 -3.931 -2.853 3.035 56 1H5* C 6 2H5* C 6 -8.086 1.249 3.398 57 2H5* C 6 1H5* C 6 -8.079 2.993 3.691 58 H4* C 6 H4* C 6 -6.046 1.635 4.488 59 H3* C 6 H3* C 6 -6.021 4.213 2.881 60 H2* C 6 H2* C 6 -3.702 4.070 2.691 61 2HO* C 6 2HO* C 6 -2.706 2.644 4.576 62 H1* C 6 H1* C 6 -3.561 1.241 3.419 63 1H4 C 6 H41 C 6 -0.213 1.920 -1.973 64 2H4 C 6 H42 C 6 -1.656 2.403 -2.836 65 H5 C 6 H5 C 6 -3.801 2.678 -1.774 66 H6 C 6 H6 C 6 -5.029 2.545 0.344 67 1H5* C 7 2H5* C 7 -3.867 4.930 7.202 68 2H5* C 7 1H5* C 7 -3.562 6.678 7.209 69 H4* C 7 H4* C 7 -1.550 4.957 7.351 70 H3* C 7 H3* C 7 -1.700 7.516 5.708 71 H2* C 7 H2* C 7 0.500 7.106 4.954 72 2HO* C 7 2HO* C 7 1.108 4.932 6.545 73 H1* C 7 H1* C 7 0.316 4.313 4.822 74 1H4 C 7 H41 C 7 0.125 6.529 -1.127 75 2H4 C 7 H42 C 7 -1.586 6.858 -0.963 76 H5 C 7 H5 C 7 -2.785 6.600 1.115 77 H6 C 7 H6 C 7 -2.591 5.975 3.479 78 1H5* U 8 2H5* U 8 1.440 8.435 9.390 79 2H5* U 8 1H5* U 8 1.548 10.204 9.315 80 H4* U 8 H4* U 8 3.717 8.719 9.034 81 H3* U 8 H3* U 8 2.895 11.240 7.584 82 H2* U 8 H2* U 8 4.721 11.084 6.097 83 2HO* U 8 2HO* U 8 6.020 8.924 7.228 84 H1* U 8 H1* U 8 4.750 8.373 5.707 85 H3 U 8 H3 U 8 3.421 10.240 1.794 86 H5 U 8 H5 U 8 0.020 10.511 4.268 87 H6 U 8 H6 U 8 1.376 9.686 6.105 88 1H5* C 9 2H5* C 9 7.375 12.070 7.813 89 2H5* C 9 1H5* C 9 7.254 13.779 8.279 90 H4* C 9 H4* C 9 8.315 13.112 5.957 91 H3* C 9 H3* C 9 6.729 15.420 6.858 92 H2* C 9 H2* C 9 5.490 15.756 4.956 93 2HO* C 9 2HO* C 9 8.031 15.452 3.697 94 H1* C 9 H1* C 9 6.539 13.580 3.285 95 1H4 C 9 H41 C 9 0.262 13.638 2.273 96 2H4 C 9 H42 C 9 -0.054 13.339 3.968 97 H5 C 9 H5 C 9 1.687 13.211 5.634 98 H6 C 9 H6 C 9 4.096 13.333 6.027 99 1H5* C 10 2H5* C 10 7.317 18.877 5.655 100 2H5* C 10 1H5* C 10 7.364 17.504 4.528 101 H4* C 10 H4* C 10 8.070 20.343 4.094 102 H3* C 10 H3* C 10 6.452 18.483 2.790 103 H2* C 10 H2* C 10 8.157 17.077 1.945 104 2HO* C 10 2HO* C 10 8.442 17.605 -0.194 105 H1* C 10 H1* C 10 10.024 19.348 1.342 106 1H4 C 10 H41 C 10 13.970 14.377 1.161 107 2H4 C 10 H42 C 10 13.326 13.744 2.659 108 H5 C 10 H5 C 10 11.506 14.772 3.853 109 H6 C 10 H6 C 10 9.900 16.633 3.864 110 1H5* C 11 2H5* C 11 7.245 19.604 -0.219 111 2H5* C 11 1H5* C 11 6.797 20.956 -1.279 112 H4* C 11 H4* C 11 6.829 18.840 -2.533 113 H3* C 11 H3* C 11 4.800 20.705 -2.671 114 H2* C 11 H2* C 11 3.275 19.627 -1.196 115 2HO* C 11 2HO* C 11 2.180 19.702 -3.174 116 H1* C 11 H1* C 11 3.972 16.901 -2.289 117 1H4 C 11 H41 C 11 0.602 15.447 2.900 118 2H4 C 11 H42 C 11 1.685 16.382 3.907 119 H5 C 11 H5 C 11 3.508 17.685 3.030 120 H6 C 11 H6 C 11 4.688 18.377 0.999 121 1H5* G 12 2H5* G 12 6.084 16.916 -5.182 122 2H5* G 12 1H5* G 12 6.753 16.896 -3.538 123 H4* G 12 H4* G 12 8.351 16.501 -6.098 124 H3* G 12 H3* G 12 6.985 14.621 -4.195 125 H2* G 12 H2* G 12 8.858 13.286 -3.861 126 2HO* G 12 2HO* G 12 10.604 13.939 -5.758 127 H1* G 12 H1* G 12 10.919 15.176 -4.320 128 H8 G 12 H8 G 12 12.045 15.101 -2.038 129 H1 G 12 H1 G 12 6.594 14.259 1.152 130 1H2 G 12 H21 G 12 4.877 14.323 -0.237 131 2H2 G 12 H22 G 12 5.065 14.574 -1.959 132 1H5* A 13 2H5* A 13 8.642 12.686 -6.575 133 2H5* A 13 1H5* A 13 8.283 11.240 -7.540 134 H4* A 13 H4* A 13 9.854 10.665 -5.758 135 H3* A 13 H3* A 13 7.033 9.587 -5.626 136 H2* A 13 H2* A 13 7.475 8.520 -3.557 137 2HO* A 13 2HO* A 13 9.895 8.767 -2.862 138 H1* A 13 H1* A 13 8.938 10.496 -2.375 139 H8 A 13 H8 A 13 6.002 11.719 -4.504 140 1H6 A 13 H61 A 13 2.539 11.168 0.560 141 2H6 A 13 H62 A 13 2.573 11.723 -1.099 142 H2 A 13 H2 A 13 6.604 9.479 1.457 143 1H5* G 14 2H5* G 14 10.280 6.670 -5.029 144 2H5* G 14 1H5* G 14 9.831 4.955 -5.110 145 H4* G 14 H4* G 14 10.649 6.024 -2.830 146 H3* G 14 H3* G 14 8.537 3.938 -3.388 147 H2* G 14 H2* G 14 7.572 4.083 -1.277 148 2HO* G 14 2HO* G 14 9.831 5.413 -0.184 149 H1* G 14 H1* G 14 8.137 6.741 -0.586 150 H8 G 14 H8 G 14 6.457 6.626 -3.955 151 H1 G 14 H1 G 14 2.330 5.845 0.824 152 1H2 G 14 H21 G 14 3.418 5.477 2.724 153 2H2 G 14 H22 G 14 5.164 5.425 2.811 154 1H5* U 15 2H5* U 15 12.397 3.168 -1.198 155 2H5* U 15 1H5* U 15 13.536 1.819 -1.396 156 H4* U 15 H4* U 15 12.129 0.330 -0.180 157 H3* U 15 H3* U 15 10.003 2.319 -0.870 158 H2* U 15 H2* U 15 9.241 2.531 1.290 159 2HO* U 15 2HO* U 15 8.922 0.574 2.551 160 H1* U 15 H1* U 15 11.296 0.865 2.591 161 H3 U 15 H3 U 15 9.743 3.841 5.734 162 H5 U 15 H5 U 15 12.172 6.073 3.106 163 H6 U 15 H6 U 15 12.258 4.123 1.650 164 1H5* G 16 2H5* G 16 10.008 -2.101 -1.027 165 2H5* G 16 1H5* G 16 8.914 -3.290 -1.762 166 H4* G 16 H4* G 16 8.692 -2.540 0.813 167 H3* G 16 H3* G 16 6.581 -3.290 -1.304 168 H2* G 16 H2* G 16 4.820 -2.675 0.107 169 2HO* G 16 2HO* G 16 5.459 -2.307 2.491 170 H1* G 16 H1* G 16 6.080 -0.599 1.559 171 H8 G 16 H8 G 16 6.407 -0.050 -2.163 172 H1 G 16 H1 G 16 0.605 1.430 0.068 173 1H2 G 16 H21 G 16 0.391 0.725 2.155 174 2H2 G 16 H22 G 16 1.676 -0.108 3.002 175 1H5* C 17 2H5* C 17 5.862 -4.382 2.944 176 2H5* C 17 1H5* C 17 5.889 -6.157 2.942 177 H4* C 17 H4* C 17 4.276 -5.449 4.587 178 H3* C 17 H3* C 17 3.159 -6.589 2.010 179 H2* C 17 H2* C 17 0.953 -6.263 2.758 180 2HO* C 17 2HO* C 17 1.046 -5.442 5.246 181 H1* C 17 H1* C 17 1.335 -3.841 4.126 182 1H4 C 17 H41 C 17 -1.357 -2.500 -1.493 183 2H4 C 17 H42 C 17 0.184 -2.680 -2.298 184 H5 C 17 H5 C 17 2.176 -3.399 -1.175 185 H6 C 17 H6 C 17 3.144 -4.107 0.965 186 1H5* A 18 2H5* A 18 1.409 -8.810 5.972 187 2H5* A 18 1H5* A 18 0.995 -10.395 5.288 188 H4* A 18 H4* A 18 -0.838 -9.066 6.579 189 H3* A 18 H3* A 18 -1.057 -10.587 3.997 190 H2* A 18 H2* A 18 -3.223 -9.779 3.525 191 2HO* A 18 2HO* A 18 -3.326 -8.801 6.214 192 H1* A 18 H1* A 18 -2.946 -7.196 4.295 193 H8 A 18 H8 A 18 0.285 -8.428 2.753 194 1H6 A 18 H61 A 18 -2.138 -7.007 -2.737 195 2H6 A 18 H62 A 18 -0.684 -7.500 -1.899 196 H2 A 18 H2 A 18 -5.371 -6.638 0.359 197 1H5* U 19 2H5* U 19 -4.596 -12.456 6.421 198 2H5* U 19 1H5* U 19 -4.713 -14.067 5.684 199 H4* U 19 H4* U 19 -6.701 -12.383 5.400 200 H3* U 19 H3* U 19 -5.429 -14.140 3.284 201 H2* U 19 H2* U 19 -6.859 -13.267 1.632 202 2HO* U 19 2HO* U 19 -8.474 -11.724 3.290 203 H1* U 19 H1* U 19 -6.921 -10.613 2.524 204 H3 U 19 H3 U 19 -4.899 -10.716 -1.569 205 H5 U 19 H5 U 19 -1.910 -11.998 1.183 206 H6 U 19 H6 U 19 -3.628 -12.043 2.893 207 1H5* C 20 2H5* C 20 -9.967 -15.211 3.614 208 2H5* C 20 1H5* C 20 -10.186 -16.790 2.832 209 H4* C 20 H4* C 20 -11.382 -14.647 1.860 210 H3* C 20 H3* C 20 -10.006 -16.906 0.382 211 H2* C 20 H2* C 20 -10.385 -15.842 -1.692 212 2HO* C 20 2HO* C 20 -12.585 -14.950 -0.422 213 H1* C 20 H1* C 20 -9.916 -13.243 -0.920 214 1H4 C 20 H41 C 20 -4.667 -15.601 -3.684 215 2H4 C 20 H42 C 20 -4.071 -16.086 -2.112 216 H5 C 20 H5 C 20 -5.378 -15.908 -0.092 217 H6 C 20 H6 C 20 -7.538 -15.226 0.851 218 1H5* C 21 2H5* C 21 -12.816 -15.671 -2.254 219 2H5* C 21 1H5* C 21 -14.055 -16.940 -2.306 220 H4* C 21 H4* C 21 -13.515 -16.350 -4.585 221 H3* C 21 H3* C 21 -12.341 -18.965 -3.606 222 H2* C 21 H2* C 21 -11.308 -19.320 -5.636 223 2HO* C 21 2HO* C 21 -12.858 -17.432 -7.048 224 H1* C 21 H1* C 21 -11.134 -16.543 -6.420 225 1H4 C 21 H41 C 21 -5.124 -18.556 -5.960 226 2H4 C 21 H42 C 21 -5.321 -18.892 -4.255 227 H5 C 21 H5 C 21 -7.413 -18.631 -3.089 228 H6 C 21 H6 C 21 -9.769 -17.987 -3.306 229 H3T C 21 H3T C 21 -14.180 -18.978 -5.617 Start of MODEL 11 1 1H5* G 1 2H5* G 1 0.951 -16.765 -13.498 2 2H5* G 1 1H5* G 1 0.790 -15.256 -14.419 3 H4* G 1 H4* G 1 -1.194 -16.207 -15.048 4 H3* G 1 H3* G 1 -1.664 -14.838 -12.397 5 H2* G 1 H2* G 1 -3.818 -15.774 -12.204 6 2HO* G 1 2HO* G 1 -3.787 -16.852 -14.812 7 H1* G 1 H1* G 1 -3.314 -18.267 -13.198 8 H8 G 1 H8 G 1 -0.416 -18.112 -11.103 9 H1 G 1 H1 G 1 -5.635 -17.765 -7.455 10 1H2 G 1 H21 G 1 -7.403 -17.279 -8.702 11 2H2 G 1 H22 G 1 -7.296 -17.041 -10.432 12 H5T G 1 H5T G 1 0.447 -15.735 -11.671 13 1H5* G 2 2H5* G 2 -5.362 -14.983 -13.783 14 2H5* G 2 1H5* G 2 -5.543 -13.461 -14.677 15 H4* G 2 H4* G 2 -7.621 -13.614 -13.657 16 H3* G 2 H3* G 2 -5.699 -12.000 -11.993 17 H2* G 2 H2* G 2 -7.062 -11.986 -10.109 18 2HO* G 2 2HO* G 2 -9.466 -12.747 -10.790 19 H1* G 2 H1* G 2 -8.491 -14.376 -10.480 20 H8 G 2 H8 G 2 -4.725 -14.826 -10.512 21 H1 G 2 H1 G 2 -7.181 -14.514 -4.638 22 1H2 G 2 H21 G 2 -9.308 -13.888 -4.737 23 2H2 G 2 H22 G 2 -10.118 -13.546 -6.249 24 1H5* A 3 2H5* A 3 -8.932 -10.463 -11.232 25 2H5* A 3 1H5* A 3 -9.342 -8.813 -11.718 26 H4* A 3 H4* A 3 -9.857 -8.921 -9.424 27 H3* A 3 H3* A 3 -7.246 -7.559 -10.098 28 H2* A 3 H2* A 3 -6.647 -7.484 -7.865 29 2HO* A 3 2HO* A 3 -8.367 -5.997 -7.450 30 H1* A 3 H1* A 3 -8.786 -9.319 -6.972 31 H8 A 3 H8 A 3 -5.339 -10.076 -8.523 32 1H6 A 3 H61 A 3 -3.430 -11.301 -2.805 33 2H6 A 3 H62 A 3 -2.977 -11.274 -4.494 34 H2 A 3 H2 A 3 -7.694 -9.913 -2.571 35 1H5* U 4 2H5* U 4 -10.769 -4.795 -7.716 36 2H5* U 4 1H5* U 4 -9.980 -3.205 -7.680 37 H4* U 4 H4* U 4 -10.969 -4.238 -5.474 38 H3* U 4 H3* U 4 -8.342 -2.778 -5.876 39 H2* U 4 H2* U 4 -7.739 -3.133 -3.636 40 2HO* U 4 2HO* U 4 -9.560 -2.387 -2.605 41 H1* U 4 H1* U 4 -8.945 -5.622 -3.238 42 H3 U 4 H3 U 4 -4.601 -6.353 -2.355 43 H5 U 4 H5 U 4 -4.678 -5.670 -6.557 44 H6 U 4 H6 U 4 -7.036 -5.116 -6.336 45 1H5* G 5 2H5* G 5 -11.503 -1.085 -2.053 46 2H5* G 5 1H5* G 5 -10.785 0.537 -2.130 47 H4* G 5 H4* G 5 -11.047 -0.600 0.199 48 H3* G 5 H3* G 5 -8.679 0.894 -0.912 49 H2* G 5 H2* G 5 -7.298 0.323 0.916 50 2HO* G 5 2HO* G 5 -9.277 -0.948 2.426 51 H1* G 5 H1* G 5 -8.048 -2.266 1.260 52 H8 G 5 H8 G 5 -7.973 -1.274 -2.412 53 H1 G 5 H1 G 5 -2.248 -2.831 -0.090 54 1H2 G 5 H21 G 5 -2.365 -3.093 2.109 55 2H2 G 5 H22 G 5 -3.855 -2.884 3.001 56 1H5* C 6 2H5* C 6 -8.155 0.923 3.394 57 2H5* C 6 1H5* C 6 -8.183 2.653 3.758 58 H4* C 6 H4* C 6 -6.132 1.309 4.519 59 H3* C 6 H3* C 6 -6.177 3.950 3.028 60 H2* C 6 H2* C 6 -3.869 3.863 2.746 61 2HO* C 6 2HO* C 6 -2.564 3.445 4.427 62 H1* C 6 H1* C 6 -3.632 1.028 3.468 63 1H4 C 6 H41 C 6 -0.248 1.840 -1.883 64 2H4 C 6 H42 C 6 -1.693 2.297 -2.757 65 H5 C 6 H5 C 6 -3.855 2.509 -1.713 66 H6 C 6 H6 C 6 -5.100 2.327 0.393 67 1H5* C 7 2H5* C 7 -3.869 4.644 7.237 68 2H5* C 7 1H5* C 7 -3.686 6.408 7.269 69 H4* C 7 H4* C 7 -1.555 4.828 7.221 70 H3* C 7 H3* C 7 -1.980 7.391 5.625 71 H2* C 7 H2* C 7 0.207 7.133 4.777 72 2HO* C 7 2HO* C 7 1.712 6.557 6.139 73 H1* C 7 H1* C 7 0.204 4.311 4.714 74 1H4 C 7 H41 C 7 -0.035 6.407 -1.277 75 2H4 C 7 H42 C 7 -1.759 6.668 -1.132 76 H5 C 7 H5 C 7 -2.966 6.394 0.942 77 H6 C 7 H6 C 7 -2.765 5.814 3.317 78 1H5* U 8 2H5* U 8 1.209 8.347 9.203 79 2H5* U 8 1H5* U 8 1.359 10.114 9.173 80 H4* U 8 H4* U 8 3.482 8.580 8.809 81 H3* U 8 H3* U 8 2.696 11.156 7.430 82 H2* U 8 H2* U 8 4.523 10.999 5.943 83 2HO* U 8 2HO* U 8 5.567 8.980 7.686 84 H1* U 8 H1* U 8 4.485 8.295 5.489 85 H3 U 8 H3 U 8 3.251 10.330 1.618 86 H5 U 8 H5 U 8 -0.194 10.518 4.039 87 H6 U 8 H6 U 8 1.130 9.638 5.875 88 1H5* C 9 2H5* C 9 7.231 11.929 7.928 89 2H5* C 9 1H5* C 9 7.095 13.638 8.391 90 H4* C 9 H4* C 9 8.328 12.974 6.160 91 H3* C 9 H3* C 9 6.680 15.283 6.939 92 H2* C 9 H2* C 9 5.615 15.640 4.937 93 2HO* C 9 2HO* C 9 8.276 15.752 4.256 94 H1* C 9 H1* C 9 6.770 13.455 3.354 95 1H4 C 9 H41 C 9 0.587 13.636 1.871 96 2H4 C 9 H42 C 9 0.142 13.290 3.527 97 H5 C 9 H5 C 9 1.750 13.088 5.312 98 H6 C 9 H6 C 9 4.125 13.168 5.892 99 1H5* C 10 2H5* C 10 7.436 18.774 6.043 100 2H5* C 10 1H5* C 10 7.542 17.330 5.016 101 H4* C 10 H4* C 10 8.413 20.121 4.486 102 H3* C 10 H3* C 10 6.725 18.285 3.214 103 H2* C 10 H2* C 10 8.402 16.771 2.489 104 2HO* C 10 2HO* C 10 9.137 18.331 0.382 105 H1* C 10 H1* C 10 10.329 18.996 1.848 106 1H4 C 10 H41 C 10 14.197 13.969 1.609 107 2H4 C 10 H42 C 10 13.590 13.365 3.135 108 H5 C 10 H5 C 10 11.813 14.430 4.365 109 H6 C 10 H6 C 10 10.220 16.297 4.386 110 1H5* C 11 2H5* C 11 7.710 19.715 0.075 111 2H5* C 11 1H5* C 11 7.138 21.102 -0.872 112 H4* C 11 H4* C 11 7.346 19.013 -2.223 113 H3* C 11 H3* C 11 5.276 20.865 -2.344 114 H2* C 11 H2* C 11 3.639 19.653 -1.150 115 2HO* C 11 2HO* C 11 3.617 19.072 -3.851 116 H1* C 11 H1* C 11 4.539 16.989 -2.212 117 1H4 C 11 H41 C 11 0.825 15.417 2.698 118 2H4 C 11 H42 C 11 1.805 16.368 3.791 119 H5 C 11 H5 C 11 3.663 17.719 3.064 120 H6 C 11 H6 C 11 4.980 18.447 1.131 121 1H5* G 12 2H5* G 12 6.394 17.354 -5.030 122 2H5* G 12 1H5* G 12 7.266 17.237 -3.489 123 H4* G 12 H4* G 12 8.475 16.674 -6.223 124 H3* G 12 H3* G 12 7.045 14.960 -4.221 125 H2* G 12 H2* G 12 8.726 13.366 -4.062 126 2HO* G 12 2HO* G 12 10.406 13.578 -5.992 127 H1* G 12 H1* G 12 10.995 14.936 -4.685 128 H8 G 12 H8 G 12 12.276 14.963 -2.448 129 H1 G 12 H1 G 12 6.994 14.201 1.035 130 1H2 G 12 H21 G 12 5.204 14.302 -0.263 131 2H2 G 12 H22 G 12 5.307 14.556 -1.992 132 1H5* A 13 2H5* A 13 8.335 12.760 -6.827 133 2H5* A 13 1H5* A 13 7.576 11.309 -7.515 134 H4* A 13 H4* A 13 9.561 10.885 -5.977 135 H3* A 13 H3* A 13 6.830 9.650 -5.726 136 H2* A 13 H2* A 13 7.331 8.624 -3.654 137 2HO* A 13 2HO* A 13 9.359 8.118 -3.044 138 H1* A 13 H1* A 13 8.702 10.636 -2.468 139 H8 A 13 H8 A 13 5.837 11.837 -4.697 140 1H6 A 13 H61 A 13 2.188 11.219 0.229 141 2H6 A 13 H62 A 13 2.281 11.783 -1.425 142 H2 A 13 H2 A 13 6.236 9.569 1.273 143 1H5* G 14 2H5* G 14 10.180 6.903 -5.050 144 2H5* G 14 1H5* G 14 9.792 5.172 -5.123 145 H4* G 14 H4* G 14 10.518 6.290 -2.836 146 H3* G 14 H3* G 14 8.475 4.140 -3.417 147 H2* G 14 H2* G 14 7.488 4.265 -1.312 148 2HO* G 14 2HO* G 14 8.744 5.301 0.468 149 H1* G 14 H1* G 14 7.958 6.950 -0.648 150 H8 G 14 H8 G 14 6.314 6.715 -4.031 151 H1 G 14 H1 G 14 2.174 5.917 0.730 152 1H2 G 14 H21 G 14 3.255 5.624 2.646 153 2H2 G 14 H22 G 14 5.001 5.626 2.748 154 1H5* U 15 2H5* U 15 12.311 3.502 -1.172 155 2H5* U 15 1H5* U 15 13.502 2.194 -1.334 156 H4* U 15 H4* U 15 12.129 0.666 -0.127 157 H3* U 15 H3* U 15 9.947 2.567 -0.884 158 H2* U 15 H2* U 15 9.132 2.779 1.254 159 2HO* U 15 2HO* U 15 9.631 0.212 2.158 160 H1* U 15 H1* U 15 11.213 1.203 2.622 161 H3 U 15 H3 U 15 9.436 4.177 5.660 162 H5 U 15 H5 U 15 11.914 6.438 3.103 163 H6 U 15 H6 U 15 12.116 4.469 1.681 164 1H5* G 16 2H5* G 16 10.037 -2.039 -1.154 165 2H5* G 16 1H5* G 16 8.857 -3.082 -1.973 166 H4* G 16 H4* G 16 8.703 -2.386 0.666 167 H3* G 16 H3* G 16 6.595 -3.125 -1.462 168 H2* G 16 H2* G 16 4.837 -2.547 -0.028 169 2HO* G 16 2HO* G 16 5.793 -2.139 2.375 170 H1* G 16 H1* G 16 6.085 -0.468 1.428 171 H8 G 16 H8 G 16 6.400 0.117 -2.284 172 H1 G 16 H1 G 16 0.568 1.485 -0.062 173 1H2 G 16 H21 G 16 0.358 0.759 2.018 174 2H2 G 16 H22 G 16 1.651 -0.059 2.865 175 1H5* C 17 2H5* C 17 6.006 -4.319 2.921 176 2H5* C 17 1H5* C 17 5.867 -6.084 2.820 177 H4* C 17 H4* C 17 4.357 -5.183 4.540 178 H3* C 17 H3* C 17 3.189 -6.451 2.047 179 H2* C 17 H2* C 17 0.997 -6.041 2.797 180 2HO* C 17 2HO* C 17 1.070 -6.799 4.872 181 H1* C 17 H1* C 17 1.446 -3.557 4.034 182 1H4 C 17 H41 C 17 -1.369 -2.507 -1.586 183 2H4 C 17 H42 C 17 0.169 -2.667 -2.403 184 H5 C 17 H5 C 17 2.193 -3.294 -1.279 185 H6 C 17 H6 C 17 3.202 -3.909 0.871 186 1H5* A 18 2H5* A 18 1.189 -8.297 6.109 187 2H5* A 18 1H5* A 18 0.841 -9.922 5.485 188 H4* A 18 H4* A 18 -1.095 -8.545 6.552 189 H3* A 18 H3* A 18 -1.123 -10.180 4.023 190 H2* A 18 H2* A 18 -3.291 -9.450 3.438 191 2HO* A 18 2HO* A 18 -4.742 -8.725 4.904 192 H1* A 18 H1* A 18 -3.084 -6.829 4.115 193 H8 A 18 H8 A 18 0.193 -8.099 2.716 194 1H6 A 18 H61 A 18 -2.096 -6.937 -2.895 195 2H6 A 18 H62 A 18 -0.661 -7.386 -2.001 196 H2 A 18 H2 A 18 -5.405 -6.443 0.099 197 1H5* U 19 2H5* U 19 -4.450 -12.475 6.552 198 2H5* U 19 1H5* U 19 -4.466 -14.036 5.706 199 H4* U 19 H4* U 19 -6.562 -12.430 5.578 200 H3* U 19 H3* U 19 -5.287 -14.085 3.383 201 H2* U 19 H2* U 19 -6.814 -13.246 1.799 202 2HO* U 19 2HO* U 19 -8.720 -12.098 2.486 203 H1* U 19 H1* U 19 -6.926 -10.609 2.721 204 H3 U 19 H3 U 19 -4.999 -10.685 -1.427 205 H5 U 19 H5 U 19 -1.898 -11.797 1.274 206 H6 U 19 H6 U 19 -3.574 -11.892 3.024 207 1H5* C 20 2H5* C 20 -9.755 -15.392 3.785 208 2H5* C 20 1H5* C 20 -9.883 -16.980 3.003 209 H4* C 20 H4* C 20 -11.227 -14.914 2.054 210 H3* C 20 H3* C 20 -9.737 -17.080 0.546 211 H2* C 20 H2* C 20 -10.241 -16.040 -1.517 212 2HO* C 20 2HO* C 20 -11.827 -14.350 -1.634 213 H1* C 20 H1* C 20 -9.888 -13.424 -0.753 214 1H4 C 20 H41 C 20 -4.556 -15.521 -3.579 215 2H4 C 20 H42 C 20 -3.904 -15.919 -2.006 216 H5 C 20 H5 C 20 -5.184 -15.776 0.029 217 H6 C 20 H6 C 20 -7.369 -15.216 0.996 218 1H5* C 21 2H5* C 21 -12.468 -15.905 -2.219 219 2H5* C 21 1H5* C 21 -13.636 -17.238 -2.300 220 H4* C 21 H4* C 21 -12.984 -16.726 -4.561 221 H3* C 21 H3* C 21 -11.685 -19.202 -3.395 222 H2* C 21 H2* C 21 -10.521 -19.565 -5.355 223 2HO* C 21 2HO* C 21 -12.065 -19.668 -6.881 224 H1* C 21 H1* C 21 -10.484 -16.815 -6.236 225 1H4 C 21 H41 C 21 -4.398 -18.395 -5.325 226 2H4 C 21 H42 C 21 -4.678 -18.672 -3.621 227 H5 C 21 H5 C 21 -6.853 -18.504 -2.597 228 H6 C 21 H6 C 21 -9.228 -18.032 -2.984 229 H3T C 21 H3T C 21 -13.281 -19.843 -5.284 Start of MODEL 12 1 1H5* G 1 2H5* G 1 0.718 -17.565 -13.948 2 2H5* G 1 1H5* G 1 0.706 -16.051 -14.876 3 H4* G 1 H4* G 1 -1.446 -16.697 -15.321 4 H3* G 1 H3* G 1 -1.483 -15.274 -12.653 5 H2* G 1 H2* G 1 -3.735 -15.862 -12.290 6 2HO* G 1 2HO* G 1 -3.762 -16.315 -15.096 7 H1* G 1 H1* G 1 -3.696 -18.402 -13.311 8 H8 G 1 H8 G 1 -0.614 -18.410 -11.331 9 H1 G 1 H1 G 1 -5.713 -18.018 -7.524 10 1H2 G 1 H21 G 1 -7.512 -17.499 -8.713 11 2H2 G 1 H22 G 1 -7.454 -17.250 -10.444 12 H5T G 1 H5T G 1 1.366 -16.190 -12.465 13 1H5* G 2 2H5* G 2 -5.269 -14.937 -13.935 14 2H5* G 2 1H5* G 2 -5.264 -13.401 -14.826 15 H4* G 2 H4* G 2 -7.337 -13.277 -13.805 16 H3* G 2 H3* G 2 -5.231 -11.982 -12.077 17 H2* G 2 H2* G 2 -6.649 -11.781 -10.238 18 2HO* G 2 2HO* G 2 -8.851 -11.531 -10.436 19 H1* G 2 H1* G 2 -8.334 -13.981 -10.655 20 H8 G 2 H8 G 2 -4.621 -14.811 -10.647 21 H1 G 2 H1 G 2 -7.150 -14.426 -4.809 22 1H2 G 2 H21 G 2 -9.208 -13.605 -4.927 23 2H2 G 2 H22 G 2 -9.954 -13.154 -6.443 24 1H5* A 3 2H5* A 3 -8.650 -10.104 -11.472 25 2H5* A 3 1H5* A 3 -8.685 -8.367 -11.805 26 H4* A 3 H4* A 3 -9.608 -8.814 -9.602 27 H3* A 3 H3* A 3 -6.994 -7.322 -9.898 28 H2* A 3 H2* A 3 -6.624 -7.390 -7.622 29 2HO* A 3 2HO* A 3 -9.221 -6.567 -7.676 30 H1* A 3 H1* A 3 -8.695 -9.399 -7.056 31 H8 A 3 H8 A 3 -5.219 -10.044 -8.518 32 1H6 A 3 H61 A 3 -3.383 -11.344 -2.795 33 2H6 A 3 H62 A 3 -2.913 -11.303 -4.478 34 H2 A 3 H2 A 3 -7.639 -9.923 -2.593 35 1H5* U 4 2H5* U 4 -10.705 -5.007 -7.415 36 2H5* U 4 1H5* U 4 -10.086 -3.345 -7.459 37 H4* U 4 H4* U 4 -10.917 -4.293 -5.193 38 H3* U 4 H3* U 4 -8.335 -2.799 -5.718 39 H2* U 4 H2* U 4 -7.638 -3.077 -3.499 40 2HO* U 4 2HO* U 4 -10.312 -3.784 -2.782 41 H1* U 4 H1* U 4 -8.804 -5.562 -2.961 42 H3 U 4 H3 U 4 -4.458 -6.362 -2.220 43 H5 U 4 H5 U 4 -4.622 -5.596 -6.403 44 H6 U 4 H6 U 4 -6.974 -5.036 -6.122 45 1H5* G 5 2H5* G 5 -11.582 -0.797 -2.014 46 2H5* G 5 1H5* G 5 -10.682 0.734 -2.010 47 H4* G 5 H4* G 5 -11.227 -0.485 0.265 48 H3* G 5 H3* G 5 -8.763 0.989 -0.627 49 H2* G 5 H2* G 5 -7.469 0.273 1.210 50 2HO* G 5 2HO* G 5 -8.933 -1.075 2.849 51 H1* G 5 H1* G 5 -8.282 -2.307 1.382 52 H8 G 5 H8 G 5 -8.134 -1.138 -2.231 53 H1 G 5 H1 G 5 -2.452 -2.843 0.094 54 1H2 G 5 H21 G 5 -2.604 -3.217 2.275 55 2H2 G 5 H22 G 5 -4.106 -3.047 3.154 56 1H5* C 6 2H5* C 6 -8.235 0.818 3.676 57 2H5* C 6 1H5* C 6 -8.258 2.537 4.087 58 H4* C 6 H4* C 6 -6.187 1.198 4.770 59 H3* C 6 H3* C 6 -6.239 3.847 3.289 60 H2* C 6 H2* C 6 -3.930 3.751 3.017 61 2HO* C 6 2HO* C 6 -2.601 2.804 4.670 62 H1* C 6 H1* C 6 -3.716 0.901 3.657 63 1H4 C 6 H41 C 6 -0.450 1.813 -1.751 64 2H4 C 6 H42 C 6 -1.914 2.285 -2.582 65 H5 C 6 H5 C 6 -4.051 2.482 -1.487 66 H6 C 6 H6 C 6 -5.250 2.266 0.646 67 1H5* C 7 2H5* C 7 -3.836 4.562 7.401 68 2H5* C 7 1H5* C 7 -3.717 6.332 7.437 69 H4* C 7 H4* C 7 -1.532 4.833 7.303 70 H3* C 7 H3* C 7 -2.100 7.376 5.717 71 H2* C 7 H2* C 7 0.063 7.188 4.810 72 2HO* C 7 2HO* C 7 0.851 6.734 7.122 73 H1* C 7 H1* C 7 0.183 4.347 4.868 74 1H4 C 7 H41 C 7 0.071 6.265 -1.194 75 2H4 C 7 H42 C 7 -1.667 6.465 -1.113 76 H5 C 7 H5 C 7 -2.929 6.201 0.929 77 H6 C 7 H6 C 7 -2.786 5.691 3.324 78 1H5* U 8 2H5* U 8 1.282 8.297 9.078 79 2H5* U 8 1H5* U 8 1.453 10.062 9.064 80 H4* U 8 H4* U 8 3.534 8.506 8.572 81 H3* U 8 H3* U 8 2.720 11.106 7.248 82 H2* U 8 H2* U 8 4.506 10.938 5.710 83 2HO* U 8 2HO* U 8 6.333 10.309 6.577 84 H1* U 8 H1* U 8 4.396 8.241 5.229 85 H3 U 8 H3 U 8 3.114 10.402 1.446 86 H5 U 8 H5 U 8 -0.285 10.539 3.927 87 H6 U 8 H6 U 8 1.067 9.599 5.714 88 1H5* C 9 2H5* C 9 7.234 11.885 7.756 89 2H5* C 9 1H5* C 9 7.130 13.600 8.209 90 H4* C 9 H4* C 9 8.348 12.909 5.981 91 H3* C 9 H3* C 9 6.715 15.241 6.733 92 H2* C 9 H2* C 9 5.675 15.596 4.718 93 2HO* C 9 2HO* C 9 7.710 15.020 2.986 94 H1* C 9 H1* C 9 6.795 13.371 3.170 95 1H4 C 9 H41 C 9 0.613 13.608 1.693 96 2H4 C 9 H42 C 9 0.169 13.254 3.348 97 H5 C 9 H5 C 9 1.779 13.040 5.130 98 H6 C 9 H6 C 9 4.154 13.112 5.708 99 1H5* C 10 2H5* C 10 7.455 18.706 5.820 100 2H5* C 10 1H5* C 10 7.560 17.281 4.767 101 H4* C 10 H4* C 10 8.405 20.086 4.277 102 H3* C 10 H3* C 10 6.734 18.254 2.978 103 H2* C 10 H2* C 10 8.420 16.766 2.227 104 2HO* C 10 2HO* C 10 7.433 17.769 0.353 105 H1* C 10 H1* C 10 10.337 19.006 1.619 106 1H4 C 10 H41 C 10 14.189 13.972 1.322 107 2H4 C 10 H42 C 10 13.573 13.345 2.834 108 H5 C 10 H5 C 10 11.797 14.398 4.075 109 H6 C 10 H6 C 10 10.218 16.279 4.126 110 1H5* C 11 2H5* C 11 7.624 19.877 -0.190 111 2H5* C 11 1H5* C 11 6.912 21.251 -1.061 112 H4* C 11 H4* C 11 7.154 19.167 -2.453 113 H3* C 11 H3* C 11 5.048 20.973 -2.486 114 H2* C 11 H2* C 11 3.506 19.735 -1.187 115 2HO* C 11 2HO* C 11 2.116 19.424 -2.741 116 H1* C 11 H1* C 11 4.376 17.094 -2.337 117 1H4 C 11 H41 C 11 0.952 15.389 2.741 118 2H4 C 11 H42 C 11 1.982 16.332 3.794 119 H5 C 11 H5 C 11 3.778 17.717 2.990 120 H6 C 11 H6 C 11 4.979 18.499 1.003 121 1H5* G 12 2H5* G 12 6.211 17.458 -5.249 122 2H5* G 12 1H5* G 12 7.049 17.360 -3.687 123 H4* G 12 H4* G 12 8.329 16.895 -6.409 124 H3* G 12 H3* G 12 7.033 15.080 -4.397 125 H2* G 12 H2* G 12 8.827 13.606 -4.275 126 2HO* G 12 2HO* G 12 9.489 14.589 -6.877 127 H1* G 12 H1* G 12 10.965 15.352 -4.885 128 H8 G 12 H8 G 12 12.261 15.382 -2.666 129 H1 G 12 H1 G 12 7.054 14.340 0.859 130 1H2 G 12 H21 G 12 5.246 14.384 -0.417 131 2H2 G 12 H22 G 12 5.318 14.670 -2.141 132 1H5* A 13 2H5* A 13 8.334 12.770 -6.963 133 2H5* A 13 1H5* A 13 7.496 11.292 -7.480 134 H4* A 13 H4* A 13 9.570 11.007 -5.973 135 H3* A 13 H3* A 13 6.875 9.715 -5.668 136 H2* A 13 H2* A 13 7.362 8.824 -3.539 137 2HO* A 13 2HO* A 13 9.496 8.651 -2.766 138 H1* A 13 H1* A 13 8.709 10.906 -2.446 139 H8 A 13 H8 A 13 5.888 12.114 -4.688 140 1H6 A 13 H61 A 13 2.133 11.380 0.144 141 2H6 A 13 H62 A 13 2.259 11.993 -1.489 142 H2 A 13 H2 A 13 6.147 9.674 1.217 143 1H5* G 14 2H5* G 14 10.273 6.915 -4.861 144 2H5* G 14 1H5* G 14 9.801 5.208 -4.984 145 H4* G 14 H4* G 14 10.584 6.223 -2.667 146 H3* G 14 H3* G 14 8.403 4.208 -3.285 147 H2* G 14 H2* G 14 7.546 4.279 -1.110 148 2HO* G 14 2HO* G 14 8.830 4.457 0.587 149 H1* G 14 H1* G 14 8.054 6.945 -0.449 150 H8 G 14 H8 G 14 6.409 6.825 -3.834 151 H1 G 14 H1 G 14 2.241 5.877 0.880 152 1H2 G 14 H21 G 14 3.312 5.532 2.793 153 2H2 G 14 H22 G 14 5.057 5.535 2.907 154 1H5* U 15 2H5* U 15 12.238 3.313 -1.221 155 2H5* U 15 1H5* U 15 13.446 2.040 -1.506 156 H4* U 15 H4* U 15 12.075 0.400 -0.392 157 H3* U 15 H3* U 15 9.932 2.424 -0.815 158 H2* U 15 H2* U 15 9.388 2.618 1.412 159 2HO* U 15 2HO* U 15 9.579 -0.233 1.498 160 H1* U 15 H1* U 15 11.394 0.688 2.439 161 H3 U 15 H3 U 15 10.359 3.285 6.058 162 H5 U 15 H5 U 15 12.374 5.847 3.381 163 H6 U 15 H6 U 15 12.282 4.061 1.724 164 1H5* G 16 2H5* G 16 9.854 -2.161 -1.176 165 2H5* G 16 1H5* G 16 8.580 -3.162 -1.901 166 H4* G 16 H4* G 16 8.618 -2.328 0.724 167 H3* G 16 H3* G 16 6.410 -3.194 -1.242 168 H2* G 16 H2* G 16 4.712 -2.476 0.198 169 2HO* G 16 2HO* G 16 6.591 -2.468 2.358 170 H1* G 16 H1* G 16 6.058 -0.351 1.508 171 H8 G 16 H8 G 16 6.253 0.202 -2.186 172 H1 G 16 H1 G 16 0.435 1.455 0.137 173 1H2 G 16 H21 G 16 0.267 0.704 2.213 174 2H2 G 16 H22 G 16 1.588 -0.099 3.032 175 1H5* C 17 2H5* C 17 5.669 -4.023 2.980 176 2H5* C 17 1H5* C 17 5.891 -5.780 3.099 177 H4* C 17 H4* C 17 4.195 -5.252 4.677 178 H3* C 17 H3* C 17 3.146 -6.399 2.076 179 H2* C 17 H2* C 17 0.923 -6.186 2.806 180 2HO* C 17 2HO* C 17 1.664 -7.069 4.992 181 H1* C 17 H1* C 17 1.179 -3.779 4.231 182 1H4 C 17 H41 C 17 -1.557 -2.477 -1.375 183 2H4 C 17 H42 C 17 -0.001 -2.535 -2.169 184 H5 C 17 H5 C 17 2.023 -3.147 -1.045 185 H6 C 17 H6 C 17 3.019 -3.851 1.084 186 1H5* A 18 2H5* A 18 1.482 -8.893 5.942 187 2H5* A 18 1H5* A 18 0.988 -10.403 5.154 188 H4* A 18 H4* A 18 -0.757 -8.997 6.544 189 H3* A 18 H3* A 18 -1.079 -10.529 3.977 190 H2* A 18 H2* A 18 -3.223 -9.643 3.539 191 2HO* A 18 2HO* A 18 -4.438 -9.637 5.290 192 H1* A 18 H1* A 18 -2.829 -7.067 4.266 193 H8 A 18 H8 A 18 0.347 -8.379 2.707 194 1H6 A 18 H61 A 18 -2.131 -7.073 -2.787 195 2H6 A 18 H62 A 18 -0.671 -7.554 -1.954 196 H2 A 18 H2 A 18 -5.328 -6.615 0.334 197 1H5* U 19 2H5* U 19 -4.621 -12.521 6.471 198 2H5* U 19 1H5* U 19 -4.684 -14.078 5.621 199 H4* U 19 H4* U 19 -6.718 -12.395 5.473 200 H3* U 19 H3* U 19 -5.484 -14.105 3.299 201 H2* U 19 H2* U 19 -6.936 -13.201 1.682 202 2HO* U 19 2HO* U 19 -8.769 -11.859 2.415 203 H1* U 19 H1* U 19 -6.956 -10.561 2.592 204 H3 U 19 H3 U 19 -4.925 -10.731 -1.503 205 H5 U 19 H5 U 19 -1.944 -11.959 1.283 206 H6 U 19 H6 U 19 -3.670 -11.981 2.986 207 1H5* C 20 2H5* C 20 -10.073 -15.108 3.520 208 2H5* C 20 1H5* C 20 -10.232 -16.695 2.741 209 H4* C 20 H4* C 20 -11.459 -14.586 1.731 210 H3* C 20 H3* C 20 -9.995 -16.816 0.292 211 H2* C 20 H2* C 20 -10.385 -15.772 -1.795 212 2HO* C 20 2HO* C 20 -11.944 -13.663 -0.917 213 H1* C 20 H1* C 20 -9.948 -13.172 -1.034 214 1H4 C 20 H41 C 20 -4.620 -15.558 -3.638 215 2H4 C 20 H42 C 20 -4.065 -16.021 -2.045 216 H5 C 20 H5 C 20 -5.421 -15.814 -0.062 217 H6 C 20 H6 C 20 -7.603 -15.117 0.818 218 1H5* C 21 2H5* C 21 -12.809 -15.752 -2.534 219 2H5* C 21 1H5* C 21 -13.947 -17.113 -2.545 220 H4* C 21 H4* C 21 -13.328 -16.606 -4.838 221 H3* C 21 H3* C 21 -12.110 -19.107 -3.641 222 H2* C 21 H2* C 21 -10.961 -19.542 -5.590 223 2HO* C 21 2HO* C 21 -13.179 -18.268 -6.774 224 H1* C 21 H1* C 21 -10.869 -16.814 -6.545 225 1H4 C 21 H41 C 21 -4.804 -18.518 -5.726 226 2H4 C 21 H42 C 21 -5.055 -18.751 -4.011 227 H5 C 21 H5 C 21 -7.202 -18.512 -2.945 228 H6 C 21 H6 C 21 -9.575 -17.994 -3.295 229 H3T C 21 H3T C 21 -14.236 -18.492 -5.447 Start of MODEL 13 1 1H5* G 1 2H5* G 1 0.875 -16.221 -11.712 2 2H5* G 1 1H5* G 1 0.956 -14.608 -12.450 3 H4* G 1 H4* G 1 -0.417 -15.686 -13.970 4 H3* G 1 H3* G 1 -1.713 -13.826 -12.414 5 H2* G 1 H2* G 1 -2.786 -15.249 -10.876 6 2HO* G 1 2HO* G 1 -4.743 -16.119 -12.451 7 H1* G 1 H1* G 1 -3.310 -17.448 -12.827 8 H8 G 1 H8 G 1 -0.786 -18.742 -10.739 9 H1 G 1 H1 G 1 -6.059 -18.128 -7.209 10 1H2 G 1 H21 G 1 -7.509 -16.800 -8.235 11 2H2 G 1 H22 G 1 -7.178 -16.066 -9.788 12 H5T G 1 H5T G 1 -0.420 -13.834 -10.961 13 1H5* G 2 2H5* G 2 -5.926 -14.945 -13.888 14 2H5* G 2 1H5* G 2 -6.081 -13.550 -14.974 15 H4* G 2 H4* G 2 -7.952 -13.155 -13.727 16 H3* G 2 H3* G 2 -5.614 -11.953 -12.241 17 H2* G 2 H2* G 2 -6.859 -11.596 -10.298 18 2HO* G 2 2HO* G 2 -9.232 -11.599 -10.425 19 H1* G 2 H1* G 2 -8.672 -13.719 -10.475 20 H8 G 2 H8 G 2 -4.942 -14.553 -10.790 21 H1 G 2 H1 G 2 -7.090 -14.407 -4.789 22 1H2 G 2 H21 G 2 -9.167 -13.633 -4.747 23 2H2 G 2 H22 G 2 -10.022 -13.152 -6.196 24 1H5* A 3 2H5* A 3 -9.057 -9.855 -11.496 25 2H5* A 3 1H5* A 3 -8.939 -8.112 -11.757 26 H4* A 3 H4* A 3 -9.878 -8.638 -9.552 27 H3* A 3 H3* A 3 -7.232 -7.201 -9.855 28 H2* A 3 H2* A 3 -6.844 -7.329 -7.581 29 2HO* A 3 2HO* A 3 -8.301 -6.224 -6.529 30 H1* A 3 H1* A 3 -8.924 -9.331 -7.047 31 H8 A 3 H8 A 3 -5.519 -10.034 -8.625 32 1H6 A 3 H61 A 3 -3.484 -11.347 -2.971 33 2H6 A 3 H62 A 3 -3.076 -11.314 -4.671 34 H2 A 3 H2 A 3 -7.710 -9.869 -2.615 35 1H5* U 4 2H5* U 4 -10.458 -5.739 -7.005 36 2H5* U 4 1H5* U 4 -10.635 -3.993 -7.273 37 H4* U 4 H4* U 4 -10.870 -4.419 -4.910 38 H3* U 4 H3* U 4 -8.302 -3.088 -5.810 39 H2* U 4 H2* U 4 -7.452 -3.088 -3.623 40 2HO* U 4 2HO* U 4 -10.087 -3.622 -2.651 41 H1* U 4 H1* U 4 -8.603 -5.457 -2.692 42 H3 U 4 H3 U 4 -4.287 -6.483 -2.229 43 H5 U 4 H5 U 4 -4.643 -5.758 -6.405 44 H6 U 4 H6 U 4 -6.963 -5.135 -6.012 45 1H5* G 5 2H5* G 5 -11.276 -0.665 -2.318 46 2H5* G 5 1H5* G 5 -10.375 0.864 -2.299 47 H4* G 5 H4* G 5 -10.952 -0.361 -0.034 48 H3* G 5 H3* G 5 -8.488 1.128 -0.889 49 H2* G 5 H2* G 5 -7.201 0.400 0.948 50 2HO* G 5 2HO* G 5 -8.511 -0.882 2.650 51 H1* G 5 H1* G 5 -8.016 -2.180 1.113 52 H8 G 5 H8 G 5 -7.832 -1.025 -2.502 53 H1 G 5 H1 G 5 -2.175 -2.740 -0.117 54 1H2 G 5 H21 G 5 -2.344 -3.093 2.066 55 2H2 G 5 H22 G 5 -3.852 -2.906 2.933 56 1H5* C 6 2H5* C 6 -8.096 0.990 3.517 57 2H5* C 6 1H5* C 6 -8.096 2.722 3.874 58 H4* C 6 H4* C 6 -6.069 1.317 4.633 59 H3* C 6 H3* C 6 -6.062 3.992 3.199 60 H2* C 6 H2* C 6 -3.752 3.875 2.948 61 2HO* C 6 2HO* C 6 -3.145 4.009 5.042 62 H1* C 6 H1* C 6 -3.572 1.019 3.589 63 1H4 C 6 H41 C 6 -0.144 1.898 -1.720 64 2H4 C 6 H42 C 6 -1.575 2.407 -2.589 65 H5 C 6 H5 C 6 -3.736 2.640 -1.552 66 H6 C 6 H6 C 6 -4.998 2.432 0.544 67 1H5* C 7 2H5* C 7 -3.697 4.496 7.400 68 2H5* C 7 1H5* C 7 -3.471 6.255 7.477 69 H4* C 7 H4* C 7 -1.379 4.626 7.371 70 H3* C 7 H3* C 7 -1.751 7.243 5.852 71 H2* C 7 H2* C 7 0.414 6.953 4.972 72 2HO* C 7 2HO* C 7 0.880 5.012 7.022 73 H1* C 7 H1* C 7 0.360 4.123 4.890 74 1H4 C 7 H41 C 7 0.281 6.278 -1.085 75 2H4 C 7 H42 C 7 -1.446 6.540 -0.977 76 H5 C 7 H5 C 7 -2.698 6.258 1.067 77 H6 C 7 H6 C 7 -2.551 5.665 3.442 78 1H5* U 8 2H5* U 8 1.566 8.212 9.345 79 2H5* U 8 1H5* U 8 1.618 9.984 9.274 80 H4* U 8 H4* U 8 3.800 8.561 8.828 81 H3* U 8 H3* U 8 2.811 11.053 7.413 82 H2* U 8 H2* U 8 4.599 10.947 5.872 83 2HO* U 8 2HO* U 8 6.511 10.169 6.422 84 H1* U 8 H1* U 8 4.677 8.230 5.495 85 H3 U 8 H3 U 8 3.230 10.032 1.602 86 H5 U 8 H5 U 8 -0.120 10.288 4.144 87 H6 U 8 H6 U 8 1.286 9.499 5.961 88 1H5* C 9 2H5* C 9 7.125 12.351 8.119 89 2H5* C 9 1H5* C 9 6.871 14.082 8.424 90 H4* C 9 H4* C 9 8.199 13.299 6.284 91 H3* C 9 H3* C 9 6.364 15.561 6.795 92 H2* C 9 H2* C 9 5.470 15.738 4.689 93 2HO* C 9 2HO* C 9 8.174 15.772 4.173 94 H1* C 9 H1* C 9 6.676 13.411 3.404 95 1H4 C 9 H41 C 9 0.484 13.407 1.908 96 2H4 C 9 H42 C 9 0.055 13.080 3.572 97 H5 C 9 H5 C 9 1.676 12.975 5.358 98 H6 C 9 H6 C 9 4.045 13.155 5.925 99 1H5* C 10 2H5* C 10 6.893 18.972 5.660 100 2H5* C 10 1H5* C 10 7.190 17.542 4.650 101 H4* C 10 H4* C 10 7.878 20.406 4.167 102 H3* C 10 H3* C 10 6.301 18.522 2.837 103 H2* C 10 H2* C 10 8.050 17.066 2.165 104 2HO* C 10 2HO* C 10 7.490 17.471 0.144 105 H1* C 10 H1* C 10 9.918 19.349 1.562 106 1H4 C 10 H41 C 10 13.899 14.404 1.470 107 2H4 C 10 H42 C 10 13.271 13.806 2.989 108 H5 C 10 H5 C 10 11.448 14.847 4.167 109 H6 C 10 H6 C 10 9.824 16.691 4.139 110 1H5* C 11 2H5* C 11 7.351 19.718 -0.208 111 2H5* C 11 1H5* C 11 6.936 21.090 -1.254 112 H4* C 11 H4* C 11 7.125 18.974 -2.536 113 H3* C 11 H3* C 11 5.134 20.860 -2.845 114 H2* C 11 H2* C 11 3.454 19.775 -1.560 115 2HO* C 11 2HO* C 11 3.271 19.423 -4.204 116 H1* C 11 H1* C 11 4.233 17.056 -2.602 117 1H4 C 11 H41 C 11 0.367 15.597 2.230 118 2H4 C 11 H42 C 11 1.340 16.536 3.340 119 H5 C 11 H5 C 11 3.244 17.838 2.650 120 H6 C 11 H6 C 11 4.624 18.526 0.748 121 1H5* G 12 2H5* G 12 6.330 17.124 -5.148 122 2H5* G 12 1H5* G 12 7.138 17.058 -3.570 123 H4* G 12 H4* G 12 8.465 16.461 -6.241 124 H3* G 12 H3* G 12 7.010 14.765 -4.242 125 H2* G 12 H2* G 12 8.723 13.215 -3.994 126 2HO* G 12 2HO* G 12 10.237 12.826 -5.672 127 H1* G 12 H1* G 12 10.970 14.826 -4.602 128 H8 G 12 H8 G 12 12.205 14.936 -2.350 129 H1 G 12 H1 G 12 6.894 14.062 1.061 130 1H2 G 12 H21 G 12 5.123 14.088 -0.265 131 2H2 G 12 H22 G 12 5.245 14.320 -1.995 132 1H5* A 13 2H5* A 13 8.374 12.584 -6.818 133 2H5* A 13 1H5* A 13 7.729 11.070 -7.485 134 H4* A 13 H4* A 13 9.644 10.789 -5.846 135 H3* A 13 H3* A 13 6.949 9.467 -5.625 136 H2* A 13 H2* A 13 7.420 8.561 -3.496 137 2HO* A 13 2HO* A 13 10.149 9.171 -4.091 138 H1* A 13 H1* A 13 8.735 10.661 -2.379 139 H8 A 13 H8 A 13 5.831 11.699 -4.626 140 1H6 A 13 H61 A 13 2.193 10.986 0.295 141 2H6 A 13 H62 A 13 2.264 11.534 -1.365 142 H2 A 13 H2 A 13 6.303 9.526 1.371 143 1H5* G 14 2H5* G 14 10.414 6.807 -4.843 144 2H5* G 14 1H5* G 14 10.057 5.070 -4.911 145 H4* G 14 H4* G 14 10.778 6.198 -2.632 146 H3* G 14 H3* G 14 8.773 4.016 -3.207 147 H2* G 14 H2* G 14 7.760 4.139 -1.117 148 2HO* G 14 2HO* G 14 10.280 5.159 -0.276 149 H1* G 14 H1* G 14 8.222 6.819 -0.428 150 H8 G 14 H8 G 14 6.565 6.570 -3.812 151 H1 G 14 H1 G 14 2.444 5.765 0.965 152 1H2 G 14 H21 G 14 3.531 5.498 2.882 153 2H2 G 14 H22 G 14 5.277 5.521 2.982 154 1H5* U 15 2H5* U 15 12.587 3.275 -0.894 155 2H5* U 15 1H5* U 15 13.682 1.887 -1.063 156 H4* U 15 H4* U 15 12.188 0.441 0.085 157 H3* U 15 H3* U 15 10.142 2.488 -0.695 158 H2* U 15 H2* U 15 9.230 2.630 1.413 159 2HO* U 15 2HO* U 15 8.730 0.732 2.566 160 H1* U 15 H1* U 15 11.227 1.005 2.825 161 H3 U 15 H3 U 15 9.390 4.083 5.742 162 H5 U 15 H5 U 15 12.162 6.186 3.357 163 H6 U 15 H6 U 15 12.343 4.206 1.951 164 1H5* G 16 2H5* G 16 10.076 -1.942 -1.049 165 2H5* G 16 1H5* G 16 8.969 -3.063 -1.868 166 H4* G 16 H4* G 16 8.736 -2.428 0.754 167 H3* G 16 H3* G 16 6.653 -3.105 -1.418 168 H2* G 16 H2* G 16 4.875 -2.579 0.017 169 2HO* G 16 2HO* G 16 5.703 -2.225 2.430 170 H1* G 16 H1* G 16 6.088 -0.526 1.526 171 H8 G 16 H8 G 16 6.462 0.090 -2.185 172 H1 G 16 H1 G 16 0.625 1.492 -0.002 173 1H2 G 16 H21 G 16 0.394 0.755 2.073 174 2H2 G 16 H22 G 16 1.675 -0.078 2.923 175 1H5* C 17 2H5* C 17 5.990 -4.376 2.933 176 2H5* C 17 1H5* C 17 5.923 -6.143 2.782 177 H4* C 17 H4* C 17 4.363 -5.380 4.509 178 H3* C 17 H3* C 17 3.249 -6.549 1.945 179 H2* C 17 H2* C 17 1.041 -6.222 2.685 180 2HO* C 17 2HO* C 17 0.542 -6.489 4.733 181 H1* C 17 H1* C 17 1.411 -3.788 4.033 182 1H4 C 17 H41 C 17 -1.261 -2.465 -1.598 183 2H4 C 17 H42 C 17 0.281 -2.653 -2.397 184 H5 C 17 H5 C 17 2.268 -3.373 -1.267 185 H6 C 17 H6 C 17 3.229 -4.077 0.877 186 1H5* A 18 2H5* A 18 1.570 -8.601 5.929 187 2H5* A 18 1H5* A 18 1.189 -10.251 5.394 188 H4* A 18 H4* A 18 -0.666 -8.941 6.613 189 H3* A 18 H3* A 18 -0.895 -10.498 4.050 190 H2* A 18 H2* A 18 -3.092 -9.748 3.626 191 2HO* A 18 2HO* A 18 -3.540 -10.038 6.053 192 H1* A 18 H1* A 18 -2.840 -7.147 4.341 193 H8 A 18 H8 A 18 0.369 -8.377 2.744 194 1H6 A 18 H61 A 18 -2.215 -7.120 -2.717 195 2H6 A 18 H62 A 18 -0.735 -7.581 -1.906 196 H2 A 18 H2 A 18 -5.365 -6.691 0.455 197 1H5* U 19 2H5* U 19 -4.674 -12.141 6.429 198 2H5* U 19 1H5* U 19 -4.707 -13.763 5.705 199 H4* U 19 H4* U 19 -6.736 -12.112 5.347 200 H3* U 19 H3* U 19 -5.400 -13.943 3.333 201 H2* U 19 H2* U 19 -6.831 -13.175 1.631 202 2HO* U 19 2HO* U 19 -8.710 -13.345 3.155 203 H1* U 19 H1* U 19 -6.968 -10.485 2.418 204 H3 U 19 H3 U 19 -4.957 -10.670 -1.671 205 H5 U 19 H5 U 19 -1.939 -11.848 1.092 206 H6 U 19 H6 U 19 -3.645 -11.858 2.817 207 1H5* C 20 2H5* C 20 -9.915 -15.047 3.774 208 2H5* C 20 1H5* C 20 -10.179 -16.625 3.006 209 H4* C 20 H4* C 20 -11.372 -14.469 2.061 210 H3* C 20 H3* C 20 -10.066 -16.746 0.541 211 H2* C 20 H2* C 20 -10.534 -15.682 -1.517 212 2HO* C 20 2HO* C 20 -12.444 -14.266 0.030 213 H1* C 20 H1* C 20 -10.010 -13.087 -0.761 214 1H4 C 20 H41 C 20 -4.903 -15.438 -3.781 215 2H4 C 20 H42 C 20 -4.255 -15.978 -2.248 216 H5 C 20 H5 C 20 -5.478 -15.837 -0.175 217 H6 C 20 H6 C 20 -7.587 -15.149 0.872 218 1H5* C 21 2H5* C 21 -12.951 -15.130 -1.908 219 2H5* C 21 1H5* C 21 -14.150 -16.400 -2.224 220 H4* C 21 H4* C 21 -13.288 -15.305 -4.308 221 H3* C 21 H3* C 21 -12.798 -18.249 -3.789 222 H2* C 21 H2* C 21 -11.682 -18.454 -5.800 223 2HO* C 21 2HO* C 21 -12.701 -17.713 -7.487 224 H1* C 21 H1* C 21 -10.852 -15.691 -5.997 225 1H4 C 21 H41 C 21 -5.474 -19.061 -5.700 226 2H4 C 21 H42 C 21 -5.874 -19.641 -4.099 227 H5 C 21 H5 C 21 -7.947 -19.125 -2.987 228 H6 C 21 H6 C 21 -10.086 -17.942 -3.168 229 H3T C 21 H3T C 21 -14.615 -18.432 -5.015 Start of MODEL 14 1 1H5* G 1 2H5* G 1 1.228 -17.539 -13.884 2 2H5* G 1 1H5* G 1 1.352 -15.953 -14.672 3 H4* G 1 H4* G 1 -0.815 -16.413 -15.251 4 H3* G 1 H3* G 1 -0.889 -15.238 -12.464 5 H2* G 1 H2* G 1 -3.202 -15.685 -12.284 6 2HO* G 1 2HO* G 1 -3.749 -16.684 -14.756 7 H1* G 1 H1* G 1 -3.250 -18.138 -13.472 8 H8 G 1 H8 G 1 -0.289 -18.620 -11.438 9 H1 G 1 H1 G 1 -5.374 -17.803 -7.678 10 1H2 G 1 H21 G 1 -7.064 -16.973 -8.854 11 2H2 G 1 H22 G 1 -6.937 -16.623 -10.563 12 H5T G 1 H5T G 1 0.923 -16.562 -11.945 13 1H5* G 2 2H5* G 2 -4.645 -14.669 -13.985 14 2H5* G 2 1H5* G 2 -4.600 -12.998 -14.580 15 H4* G 2 H4* G 2 -6.734 -13.220 -13.584 16 H3* G 2 H3* G 2 -4.689 -11.796 -11.886 17 H2* G 2 H2* G 2 -6.059 -11.757 -9.999 18 2HO* G 2 2HO* G 2 -8.408 -12.381 -11.438 19 H1* G 2 H1* G 2 -7.597 -14.064 -10.442 20 H8 G 2 H8 G 2 -3.858 -14.692 -10.517 21 H1 G 2 H1 G 2 -6.260 -14.464 -4.618 22 1H2 G 2 H21 G 2 -8.352 -13.728 -4.680 23 2H2 G 2 H22 G 2 -9.152 -13.296 -6.173 24 1H5* A 3 2H5* A 3 -7.926 -10.087 -11.187 25 2H5* A 3 1H5* A 3 -8.235 -8.399 -11.616 26 H4* A 3 H4* A 3 -8.882 -8.638 -9.348 27 H3* A 3 H3* A 3 -6.262 -7.229 -9.876 28 H2* A 3 H2* A 3 -5.740 -7.230 -7.623 29 2HO* A 3 2HO* A 3 -8.473 -6.587 -7.444 30 H1* A 3 H1* A 3 -7.864 -9.128 -6.860 31 H8 A 3 H8 A 3 -4.404 -9.821 -8.393 32 1H6 A 3 H61 A 3 -2.563 -11.311 -2.719 33 2H6 A 3 H62 A 3 -2.100 -11.227 -4.403 34 H2 A 3 H2 A 3 -6.800 -9.836 -2.457 35 1H5* U 4 2H5* U 4 -9.994 -4.964 -7.623 36 2H5* U 4 1H5* U 4 -9.537 -3.254 -7.499 37 H4* U 4 H4* U 4 -10.490 -4.416 -5.392 38 H3* U 4 H3* U 4 -8.019 -2.682 -5.578 39 H2* U 4 H2* U 4 -7.455 -3.078 -3.344 40 2HO* U 4 2HO* U 4 -9.014 -2.904 -1.938 41 H1* U 4 H1* U 4 -8.447 -5.674 -3.057 42 H3 U 4 H3 U 4 -4.088 -6.052 -2.020 43 H5 U 4 H5 U 4 -4.073 -5.244 -6.200 44 H6 U 4 H6 U 4 -6.476 -4.900 -6.056 45 1H5* G 5 2H5* G 5 -11.408 -1.855 -1.882 46 2H5* G 5 1H5* G 5 -11.248 -0.089 -1.961 47 H4* G 5 H4* G 5 -11.328 -1.018 0.381 48 H3* G 5 H3* G 5 -9.126 0.713 -0.708 49 H2* G 5 H2* G 5 -7.738 0.422 1.176 50 2HO* G 5 2HO* G 5 -10.156 -0.392 2.440 51 H1* G 5 H1* G 5 -8.136 -2.214 1.659 52 H8 G 5 H8 G 5 -8.146 -1.263 -2.047 53 H1 G 5 H1 G 5 -2.339 -2.437 0.299 54 1H2 G 5 H21 G 5 -2.451 -2.721 2.497 55 2H2 G 5 H22 G 5 -3.957 -2.620 3.381 56 1H5* C 6 2H5* C 6 -8.761 1.046 3.552 57 2H5* C 6 1H5* C 6 -8.904 2.782 3.854 58 H4* C 6 H4* C 6 -6.756 1.564 4.622 59 H3* C 6 H3* C 6 -7.024 4.213 3.177 60 H2* C 6 H2* C 6 -4.751 4.281 2.763 61 2HO* C 6 2HO* C 6 -4.027 4.592 4.793 62 H1* C 6 H1* C 6 -4.252 1.489 3.547 63 1H4 C 6 H41 C 6 -1.045 2.344 -1.898 64 2H4 C 6 H42 C 6 -2.526 2.741 -2.740 65 H5 C 6 H5 C 6 -4.668 2.895 -1.644 66 H6 C 6 H6 C 6 -5.853 2.698 0.495 67 1H5* C 7 2H5* C 7 -4.960 5.198 7.487 68 2H5* C 7 1H5* C 7 -4.874 6.971 7.462 69 H4* C 7 H4* C 7 -2.658 5.516 7.483 70 H3* C 7 H3* C 7 -3.242 8.008 5.838 71 H2* C 7 H2* C 7 -1.076 7.867 4.931 72 2HO* C 7 2HO* C 7 -0.276 5.855 6.755 73 H1* C 7 H1* C 7 -0.897 5.079 4.825 74 1H4 C 7 H41 C 7 -1.796 7.136 -1.116 75 2H4 C 7 H42 C 7 -3.453 7.573 -0.761 76 H5 C 7 H5 C 7 -4.425 7.381 1.442 77 H6 C 7 H6 C 7 -4.010 6.734 3.771 78 1H5* U 8 2H5* U 8 0.637 7.629 8.434 79 2H5* U 8 1H5* U 8 1.303 9.254 8.687 80 H4* U 8 H4* U 8 2.807 7.339 7.669 81 H3* U 8 H3* U 8 2.642 10.257 6.832 82 H2* U 8 H2* U 8 4.245 9.855 5.130 83 2HO* U 8 2HO* U 8 4.706 7.200 6.005 84 H1* U 8 H1* U 8 3.304 7.432 4.269 85 H3 U 8 H3 U 8 2.608 10.635 1.089 86 H5 U 8 H5 U 8 -0.598 11.083 3.786 87 H6 U 8 H6 U 8 0.494 9.474 5.245 88 1H5* C 9 2H5* C 9 7.195 9.844 6.929 89 2H5* C 9 1H5* C 9 7.570 11.442 7.607 90 H4* C 9 H4* C 9 8.339 10.821 5.156 91 H3* C 9 H3* C 9 7.394 13.370 6.372 92 H2* C 9 H2* C 9 6.622 14.336 4.429 93 2HO* C 9 2HO* C 9 7.896 14.381 2.621 94 H1* C 9 H1* C 9 6.697 12.054 2.637 95 1H4 C 9 H41 C 9 0.867 14.598 2.259 96 2H4 C 9 H42 C 9 0.464 13.937 3.828 97 H5 C 9 H5 C 9 2.058 12.784 5.227 98 H6 C 9 H6 C 9 4.371 12.021 5.416 99 1H5* C 10 2H5* C 10 8.877 16.353 5.892 100 2H5* C 10 1H5* C 10 9.062 15.064 4.684 101 H4* C 10 H4* C 10 10.630 17.637 4.987 102 H3* C 10 H3* C 10 8.544 16.882 3.260 103 H2* C 10 H2* C 10 9.698 15.210 2.056 104 2HO* C 10 2HO* C 10 9.301 16.802 0.498 105 H1* C 10 H1* C 10 12.309 16.704 2.138 106 1H4 C 10 H41 C 10 14.238 10.943 0.311 107 2H4 C 10 H42 C 10 13.268 10.166 1.542 108 H5 C 10 H5 C 10 11.821 11.373 3.041 109 H6 C 10 H6 C 10 10.989 13.597 3.684 110 1H5* C 11 2H5* C 11 9.886 18.841 0.645 111 2H5* C 11 1H5* C 11 9.683 20.540 0.173 112 H4* C 11 H4* C 11 9.124 18.833 -1.626 113 H3* C 11 H3* C 11 7.915 21.282 -1.152 114 H2* C 11 H2* C 11 6.028 20.492 0.050 115 2HO* C 11 2HO* C 11 5.522 20.388 -2.730 116 H1* C 11 H1* C 11 5.756 18.045 -1.689 117 1H4 C 11 H41 C 11 1.901 16.749 3.192 118 2H4 C 11 H42 C 11 3.233 16.883 4.318 119 H5 C 11 H5 C 11 5.451 17.557 3.665 120 H6 C 11 H6 C 11 6.873 18.242 1.789 121 1H5* G 12 2H5* G 12 7.605 18.176 -4.536 122 2H5* G 12 1H5* G 12 8.341 17.431 -3.104 123 H4* G 12 H4* G 12 9.358 17.139 -5.956 124 H3* G 12 H3* G 12 7.442 15.555 -4.273 125 H2* G 12 H2* G 12 8.523 13.524 -4.590 126 2HO* G 12 2HO* G 12 10.197 14.098 -6.679 127 H1* G 12 H1* G 12 11.176 14.419 -5.027 128 H8 G 12 H8 G 12 12.423 13.542 -2.958 129 H1 G 12 H1 G 12 7.196 13.508 0.687 130 1H2 G 12 H21 G 12 5.506 14.435 -0.388 131 2H2 G 12 H22 G 12 5.654 15.071 -2.012 132 1H5* A 13 2H5* A 13 6.463 11.829 -8.437 133 2H5* A 13 1H5* A 13 5.423 12.244 -7.058 134 H4* A 13 H4* A 13 8.020 10.693 -7.079 135 H3* A 13 H3* A 13 5.152 10.220 -6.268 136 H2* A 13 H2* A 13 5.791 9.004 -4.347 137 2HO* A 13 2HO* A 13 8.242 8.769 -5.737 138 H1* A 13 H1* A 13 7.838 10.569 -3.497 139 H8 A 13 H8 A 13 5.494 13.111 -4.745 140 1H6 A 13 H61 A 13 1.928 12.188 0.191 141 2H6 A 13 H62 A 13 2.242 13.232 -1.178 142 H2 A 13 H2 A 13 4.926 8.846 0.001 143 1H5* G 14 2H5* G 14 7.630 7.201 -6.347 144 2H5* G 14 1H5* G 14 7.425 5.443 -6.478 145 H4* G 14 H4* G 14 8.091 6.551 -4.176 146 H3* G 14 H3* G 14 6.923 4.082 -4.850 147 H2* G 14 H2* G 14 4.715 4.519 -4.195 148 2HO* G 14 2HO* G 14 5.604 4.497 -1.528 149 H1* G 14 H1* G 14 5.466 6.433 -2.014 150 H8 G 14 H8 G 14 3.745 7.185 -5.362 151 H1 G 14 H1 G 14 -0.211 6.852 -0.377 152 1H2 G 14 H21 G 14 0.891 6.165 1.410 153 2H2 G 14 H22 G 14 2.597 5.785 1.381 154 1H5* U 15 2H5* U 15 9.466 5.022 -0.977 155 2H5* U 15 1H5* U 15 10.897 4.135 -1.543 156 H4* U 15 H4* U 15 11.406 4.029 0.669 157 H3* U 15 H3* U 15 9.256 1.924 0.366 158 H2* U 15 H2* U 15 9.561 1.445 2.690 159 2HO* U 15 2HO* U 15 11.990 2.670 2.223 160 H1* U 15 H1* U 15 9.511 4.049 3.472 161 H3 U 15 H3 U 15 5.430 2.709 4.759 162 H5 U 15 H5 U 15 5.130 2.853 0.558 163 H6 U 15 H6 U 15 7.507 3.307 0.466 164 1H5* G 16 2H5* G 16 9.318 -1.650 -0.963 165 2H5* G 16 1H5* G 16 8.101 -0.727 -1.864 166 H4* G 16 H4* G 16 8.333 -1.029 1.173 167 H3* G 16 H3* G 16 6.437 -2.088 -1.027 168 H2* G 16 H2* G 16 4.573 -1.799 0.363 169 2HO* G 16 2HO* G 16 4.922 -1.455 2.711 170 H1* G 16 H1* G 16 5.423 0.475 1.811 171 H8 G 16 H8 G 16 5.699 0.774 -1.988 172 H1 G 16 H1 G 16 -0.146 1.983 0.275 173 1H2 G 16 H21 G 16 -0.251 1.455 2.424 174 2H2 G 16 H22 G 16 1.118 0.810 3.302 175 1H5* C 17 2H5* C 17 5.932 -3.336 3.319 176 2H5* C 17 1H5* C 17 6.062 -5.105 3.254 177 H4* C 17 H4* C 17 4.403 -4.471 4.923 178 H3* C 17 H3* C 17 3.420 -5.784 2.371 179 H2* C 17 H2* C 17 1.191 -5.671 3.120 180 2HO* C 17 2HO* C 17 0.650 -5.450 5.281 181 H1* C 17 H1* C 17 1.325 -3.179 4.404 182 1H4 C 17 H41 C 17 -1.485 -2.265 -1.233 183 2H4 C 17 H42 C 17 0.050 -2.407 -2.057 184 H5 C 17 H5 C 17 2.097 -2.952 -0.933 185 H6 C 17 H6 C 17 3.138 -3.476 1.225 186 1H5* A 18 2H5* A 18 1.772 -8.164 6.360 187 2H5* A 18 1H5* A 18 1.712 -9.782 5.635 188 H4* A 18 H4* A 18 -0.413 -8.925 6.819 189 H3* A 18 H3* A 18 -0.219 -10.213 4.105 190 H2* A 18 H2* A 18 -2.498 -9.813 3.621 191 2HO* A 18 2HO* A 18 -3.650 -10.361 5.361 192 H1* A 18 H1* A 18 -2.742 -7.302 4.620 193 H8 A 18 H8 A 18 0.674 -7.827 3.061 194 1H6 A 18 H61 A 18 -1.886 -6.323 -2.340 195 2H6 A 18 H62 A 18 -0.382 -6.653 -1.507 196 H2 A 18 H2 A 18 -5.175 -6.762 0.699 197 1H5* U 19 2H5* U 19 -3.372 -12.524 6.530 198 2H5* U 19 1H5* U 19 -3.551 -14.138 5.811 199 H4* U 19 H4* U 19 -5.598 -12.544 5.748 200 H3* U 19 H3* U 19 -4.465 -14.158 3.452 201 H2* U 19 H2* U 19 -6.043 -13.261 1.951 202 2HO* U 19 2HO* U 19 -7.999 -12.627 2.582 203 H1* U 19 H1* U 19 -6.050 -10.639 2.888 204 H3 U 19 H3 U 19 -4.154 -10.684 -1.270 205 H5 U 19 H5 U 19 -1.093 -12.065 1.351 206 H6 U 19 H6 U 19 -2.746 -12.094 3.125 207 1H5* C 20 2H5* C 20 -8.981 -15.180 3.802 208 2H5* C 20 1H5* C 20 -9.153 -16.782 3.056 209 H4* C 20 H4* C 20 -10.419 -14.700 2.041 210 H3* C 20 H3* C 20 -8.982 -16.951 0.612 211 H2* C 20 H2* C 20 -9.400 -15.951 -1.487 212 2HO* C 20 2HO* C 20 -10.882 -13.925 -1.330 213 H1* C 20 H1* C 20 -9.020 -13.317 -0.780 214 1H4 C 20 H41 C 20 -3.684 -15.523 -3.510 215 2H4 C 20 H42 C 20 -3.072 -15.956 -1.930 216 H5 C 20 H5 C 20 -4.386 -15.793 0.085 217 H6 C 20 H6 C 20 -6.569 -15.180 1.017 218 1H5* C 21 2H5* C 21 -11.814 -15.666 -1.970 219 2H5* C 21 1H5* C 21 -13.016 -16.960 -2.151 220 H4* C 21 H4* C 21 -12.354 -16.166 -4.362 221 H3* C 21 H3* C 21 -11.306 -18.886 -3.528 222 H2* C 21 H2* C 21 -10.233 -19.129 -5.558 223 2HO* C 21 2HO* C 21 -12.124 -17.239 -6.575 224 H1* C 21 H1* C 21 -9.897 -16.313 -6.092 225 1H4 C 21 H41 C 21 -4.038 -18.730 -5.569 226 2H4 C 21 H42 C 21 -4.292 -19.077 -3.874 227 H5 C 21 H5 C 21 -6.389 -18.707 -2.750 228 H6 C 21 H6 C 21 -8.699 -17.925 -3.008 229 H3T C 21 H3T C 21 -13.137 -19.530 -4.464 Start of MODEL 15 1 1H5* G 1 2H5* G 1 1.028 -17.222 -13.760 2 2H5* G 1 1H5* G 1 0.882 -15.764 -14.764 3 H4* G 1 H4* G 1 -1.246 -16.558 -15.063 4 H3* G 1 H3* G 1 -1.235 -14.980 -12.484 5 H2* G 1 H2* G 1 -3.418 -15.679 -11.958 6 2HO* G 1 2HO* G 1 -3.739 -16.742 -14.579 7 H1* G 1 H1* G 1 -3.299 -18.261 -12.878 8 H8 G 1 H8 G 1 -0.144 -17.948 -11.003 9 H1 G 1 H1 G 1 -5.164 -17.902 -7.071 10 1H2 G 1 H21 G 1 -7.030 -17.584 -8.230 11 2H2 G 1 H22 G 1 -7.035 -17.384 -9.967 12 H5T G 1 H5T G 1 1.665 -15.041 -12.881 13 1H5* G 2 2H5* G 2 -5.132 -15.019 -13.615 14 2H5* G 2 1H5* G 2 -5.307 -13.507 -14.528 15 H4* G 2 H4* G 2 -7.315 -13.564 -13.364 16 H3* G 2 H3* G 2 -5.229 -11.967 -11.891 17 H2* G 2 H2* G 2 -6.474 -11.832 -9.931 18 2HO* G 2 2HO* G 2 -8.675 -12.065 -11.700 19 H1* G 2 H1* G 2 -8.017 -14.174 -10.131 20 H8 G 2 H8 G 2 -4.223 -14.578 -10.328 21 H1 G 2 H1 G 2 -6.490 -14.477 -4.373 22 1H2 G 2 H21 G 2 -8.640 -13.920 -4.388 23 2H2 G 2 H22 G 2 -9.511 -13.576 -5.865 24 1H5* A 3 2H5* A 3 -8.602 -10.425 -11.001 25 2H5* A 3 1H5* A 3 -8.946 -8.751 -11.449 26 H4* A 3 H4* A 3 -9.503 -9.010 -9.139 27 H3* A 3 H3* A 3 -7.025 -7.436 -9.848 28 H2* A 3 H2* A 3 -6.344 -7.373 -7.639 29 2HO* A 3 2HO* A 3 -8.890 -7.529 -6.498 30 H1* A 3 H1* A 3 -8.296 -9.371 -6.692 31 H8 A 3 H8 A 3 -4.904 -9.854 -8.448 32 1H6 A 3 H61 A 3 -2.631 -11.250 -2.910 33 2H6 A 3 H62 A 3 -2.278 -11.131 -4.617 34 H2 A 3 H2 A 3 -6.930 -10.051 -2.380 35 1H5* U 4 2H5* U 4 -10.101 -6.256 -7.160 36 2H5* U 4 1H5* U 4 -10.782 -4.627 -7.344 37 H4* U 4 H4* U 4 -10.867 -5.029 -5.025 38 H3* U 4 H3* U 4 -8.456 -3.380 -5.840 39 H2* U 4 H2* U 4 -7.695 -3.314 -3.619 40 2HO* U 4 2HO* U 4 -9.114 -3.794 -1.854 41 H1* U 4 H1* U 4 -8.544 -5.846 -2.798 42 H3 U 4 H3 U 4 -4.148 -6.327 -2.221 43 H5 U 4 H5 U 4 -4.468 -5.463 -6.377 44 H6 U 4 H6 U 4 -6.860 -5.167 -6.044 45 1H5* G 5 2H5* G 5 -11.640 -1.535 -2.363 46 2H5* G 5 1H5* G 5 -11.104 0.157 -2.363 47 H4* G 5 H4* G 5 -11.333 -1.063 -0.079 48 H3* G 5 H3* G 5 -9.080 0.685 -1.051 49 H2* G 5 H2* G 5 -7.733 0.208 0.828 50 2HO* G 5 2HO* G 5 -9.780 -1.220 2.157 51 H1* G 5 H1* G 5 -8.241 -2.452 1.084 52 H8 G 5 H8 G 5 -8.086 -1.350 -2.556 53 H1 G 5 H1 G 5 -2.351 -2.425 0.006 54 1H2 G 5 H21 G 5 -2.547 -2.780 2.184 55 2H2 G 5 H22 G 5 -4.090 -2.749 3.007 56 1H5* C 6 2H5* C 6 -8.732 0.732 3.305 57 2H5* C 6 1H5* C 6 -8.922 2.456 3.651 58 H4* C 6 H4* C 6 -6.775 1.277 4.461 59 H3* C 6 H3* C 6 -7.051 3.940 3.043 60 H2* C 6 H2* C 6 -4.771 4.061 2.704 61 2HO* C 6 2HO* C 6 -4.821 3.809 5.279 62 H1* C 6 H1* C 6 -4.237 1.271 3.470 63 1H4 C 6 H41 C 6 -0.863 2.269 -1.846 64 2H4 C 6 H42 C 6 -2.326 2.621 -2.740 65 H5 C 6 H5 C 6 -4.509 2.703 -1.719 66 H6 C 6 H6 C 6 -5.761 2.460 0.376 67 1H5* C 7 2H5* C 7 -4.929 4.784 7.273 68 2H5* C 7 1H5* C 7 -4.915 6.556 7.372 69 H4* C 7 H4* C 7 -2.642 5.207 7.237 70 H3* C 7 H3* C 7 -3.377 7.764 5.760 71 H2* C 7 H2* C 7 -1.245 7.766 4.780 72 2HO* C 7 2HO* C 7 0.412 6.266 5.725 73 H1* C 7 H1* C 7 -0.900 4.969 4.643 74 1H4 C 7 H41 C 7 -1.666 7.069 -1.303 75 2H4 C 7 H42 C 7 -3.354 7.421 -1.006 76 H5 C 7 H5 C 7 -4.396 7.155 1.156 77 H6 C 7 H6 C 7 -4.039 6.500 3.493 78 1H5* U 8 2H5* U 8 0.531 7.505 8.341 79 2H5* U 8 1H5* U 8 1.146 9.147 8.609 80 H4* U 8 H4* U 8 2.691 7.302 7.524 81 H3* U 8 H3* U 8 2.413 10.226 6.724 82 H2* U 8 H2* U 8 4.046 9.886 5.031 83 2HO* U 8 2HO* U 8 5.575 8.396 5.203 84 H1* U 8 H1* U 8 3.157 7.447 4.146 85 H3 U 8 H3 U 8 2.468 10.714 1.025 86 H5 U 8 H5 U 8 -0.828 10.989 3.629 87 H6 U 8 H6 U 8 0.274 9.382 5.082 88 1H5* C 9 2H5* C 9 6.938 10.230 7.581 89 2H5* C 9 1H5* C 9 7.144 11.911 8.110 90 H4* C 9 H4* C 9 8.232 11.085 5.849 91 H3* C 9 H3* C 9 7.021 13.681 6.654 92 H2* C 9 H2* C 9 6.420 14.379 4.545 93 2HO* C 9 2HO* C 9 7.916 13.838 2.741 94 H1* C 9 H1* C 9 6.839 11.931 3.038 95 1H4 C 9 H41 C 9 0.970 14.037 1.715 96 2H4 C 9 H42 C 9 0.420 13.533 3.297 97 H5 C 9 H5 C 9 1.892 12.647 4.988 98 H6 C 9 H6 C 9 4.201 12.050 5.524 99 1H5* C 10 2H5* C 10 8.248 16.481 5.603 100 2H5* C 10 1H5* C 10 9.018 15.083 4.828 101 H4* C 10 H4* C 10 10.283 17.829 5.229 102 H3* C 10 H3* C 10 8.422 17.108 3.255 103 H2* C 10 H2* C 10 9.689 15.400 2.219 104 2HO* C 10 2HO* C 10 9.699 16.589 0.445 105 H1* C 10 H1* C 10 12.288 16.870 2.604 106 1H4 C 10 H41 C 10 14.317 11.070 1.010 107 2H4 C 10 H42 C 10 13.264 10.323 2.190 108 H5 C 10 H5 C 10 11.717 11.563 3.553 109 H6 C 10 H6 C 10 10.839 13.797 4.079 110 1H5* C 11 2H5* C 11 10.008 18.637 0.820 111 2H5* C 11 1H5* C 11 10.092 20.280 0.153 112 H4* C 11 H4* C 11 9.561 18.592 -1.587 113 H3* C 11 H3* C 11 8.347 21.055 -1.325 114 H2* C 11 H2* C 11 6.395 20.322 -0.178 115 2HO* C 11 2HO* C 11 6.113 20.634 -2.850 116 H1* C 11 H1* C 11 6.190 17.846 -1.888 117 1H4 C 11 H41 C 11 1.964 16.686 2.716 118 2H4 C 11 H42 C 11 3.196 16.879 3.943 119 H5 C 11 H5 C 11 5.460 17.538 3.450 120 H6 C 11 H6 C 11 7.031 18.155 1.672 121 1H5* G 12 2H5* G 12 8.036 17.858 -4.664 122 2H5* G 12 1H5* G 12 8.785 17.274 -3.165 123 H4* G 12 H4* G 12 9.754 16.623 -5.976 124 H3* G 12 H3* G 12 7.804 15.299 -4.121 125 H2* G 12 H2* G 12 8.839 13.221 -4.163 126 2HO* G 12 2HO* G 12 9.770 14.064 -6.722 127 H1* G 12 H1* G 12 11.510 13.979 -4.726 128 H8 G 12 H8 G 12 12.812 13.639 -2.484 129 H1 G 12 H1 G 12 7.427 13.364 0.908 130 1H2 G 12 H21 G 12 5.705 13.966 -0.348 131 2H2 G 12 H22 G 12 5.880 14.437 -2.023 132 1H5* A 13 2H5* A 13 7.347 13.128 -7.692 133 2H5* A 13 1H5* A 13 5.881 12.128 -7.724 134 H4* A 13 H4* A 13 8.247 11.189 -6.849 135 H3* A 13 H3* A 13 5.397 10.548 -6.136 136 H2* A 13 H2* A 13 5.988 9.323 -4.216 137 2HO* A 13 2HO* A 13 8.703 9.364 -4.324 138 H1* A 13 H1* A 13 7.943 10.907 -3.224 139 H8 A 13 H8 A 13 5.584 13.397 -4.583 140 1H6 A 13 H61 A 13 1.794 12.293 0.145 141 2H6 A 13 H62 A 13 2.136 13.360 -1.197 142 H2 A 13 H2 A 13 4.935 9.083 0.100 143 1H5* G 14 2H5* G 14 7.974 7.589 -6.200 144 2H5* G 14 1H5* G 14 7.793 5.835 -6.387 145 H4* G 14 H4* G 14 8.326 6.894 -4.025 146 H3* G 14 H3* G 14 7.196 4.425 -4.832 147 H2* G 14 H2* G 14 4.988 4.784 -4.170 148 2HO* G 14 2HO* G 14 4.699 4.182 -2.017 149 H1* G 14 H1* G 14 5.644 6.712 -1.975 150 H8 G 14 H8 G 14 3.997 7.453 -5.361 151 H1 G 14 H1 G 14 -0.097 6.843 -0.513 152 1H2 G 14 H21 G 14 0.980 6.173 1.299 153 2H2 G 14 H22 G 14 2.702 5.875 1.317 154 1H5* U 15 2H5* U 15 9.955 5.186 -0.999 155 2H5* U 15 1H5* U 15 11.201 4.069 -1.593 156 H4* U 15 H4* U 15 11.769 4.058 0.630 157 H3* U 15 H3* U 15 9.528 2.049 0.349 158 H2* U 15 H2* U 15 9.796 1.562 2.671 159 2HO* U 15 2HO* U 15 11.792 1.640 3.376 160 H1* U 15 H1* U 15 9.917 4.162 3.465 161 H3 U 15 H3 U 15 5.799 2.953 4.809 162 H5 U 15 H5 U 15 5.407 3.370 0.634 163 H6 U 15 H6 U 15 7.808 3.671 0.502 164 1H5* G 16 2H5* G 16 9.399 -1.576 -0.826 165 2H5* G 16 1H5* G 16 8.238 -0.624 -1.771 166 H4* G 16 H4* G 16 8.484 -0.701 1.281 167 H3* G 16 H3* G 16 6.566 -1.954 -0.792 168 H2* G 16 H2* G 16 4.710 -1.500 0.563 169 2HO* G 16 2HO* G 16 5.689 -0.664 2.903 170 H1* G 16 H1* G 16 5.591 0.896 1.775 171 H8 G 16 H8 G 16 5.926 1.033 -1.999 172 H1 G 16 H1 G 16 -0.046 2.011 0.041 173 1H2 G 16 H21 G 16 -0.203 1.512 2.196 174 2H2 G 16 H22 G 16 1.161 0.943 3.131 175 1H5* C 17 2H5* C 17 5.549 -2.741 3.238 176 2H5* C 17 1H5* C 17 6.146 -4.387 3.522 177 H4* C 17 H4* C 17 4.260 -4.316 4.892 178 H3* C 17 H3* C 17 3.549 -5.451 2.171 179 H2* C 17 H2* C 17 1.287 -5.643 2.793 180 2HO* C 17 2HO* C 17 1.034 -4.998 5.299 181 H1* C 17 H1* C 17 1.081 -3.283 4.288 182 1H4 C 17 H41 C 17 -1.421 -2.133 -1.458 183 2H4 C 17 H42 C 17 0.173 -2.063 -2.172 184 H5 C 17 H5 C 17 2.186 -2.506 -0.943 185 H6 C 17 H6 C 17 3.126 -3.117 1.239 186 1H5* A 18 2H5* A 18 2.041 -7.711 5.871 187 2H5* A 18 1H5* A 18 2.127 -9.445 5.506 188 H4* A 18 H4* A 18 -0.049 -8.735 6.529 189 H3* A 18 H3* A 18 0.159 -10.082 3.842 190 H2* A 18 H2* A 18 -2.160 -9.866 3.440 191 2HO* A 18 2HO* A 18 -3.343 -10.309 5.148 192 H1* A 18 H1* A 18 -2.536 -7.344 4.364 193 H8 A 18 H8 A 18 0.844 -7.797 2.674 194 1H6 A 18 H61 A 18 -1.995 -6.441 -2.627 195 2H6 A 18 H62 A 18 -0.447 -6.726 -1.863 196 H2 A 18 H2 A 18 -5.128 -6.885 0.569 197 1H5* U 19 2H5* U 19 -2.903 -12.233 6.465 198 2H5* U 19 1H5* U 19 -3.193 -13.862 5.820 199 H4* U 19 H4* U 19 -5.167 -12.157 5.840 200 H3* U 19 H3* U 19 -4.304 -13.963 3.567 201 H2* U 19 H2* U 19 -5.972 -13.081 2.153 202 2HO* U 19 2HO* U 19 -7.784 -13.028 3.375 203 H1* U 19 H1* U 19 -5.747 -10.411 2.896 204 H3 U 19 H3 U 19 -4.183 -10.847 -1.378 205 H5 U 19 H5 U 19 -0.996 -12.186 1.112 206 H6 U 19 H6 U 19 -2.516 -12.025 2.997 207 1H5* C 20 2H5* C 20 -8.899 -14.994 4.175 208 2H5* C 20 1H5* C 20 -8.925 -16.649 3.537 209 H4* C 20 H4* C 20 -10.378 -14.761 2.402 210 H3* C 20 H3* C 20 -8.731 -16.940 1.077 211 H2* C 20 H2* C 20 -9.341 -16.118 -1.059 212 2HO* C 20 2HO* C 20 -11.030 -14.485 -1.231 213 H1* C 20 H1* C 20 -9.176 -13.428 -0.506 214 1H4 C 20 H41 C 20 -3.779 -15.308 -3.335 215 2H4 C 20 H42 C 20 -3.082 -15.655 -1.767 216 H5 C 20 H5 C 20 -4.332 -15.526 0.289 217 H6 C 20 H6 C 20 -6.521 -15.036 1.284 218 1H5* C 21 2H5* C 21 -11.644 -16.475 -1.474 219 2H5* C 21 1H5* C 21 -12.697 -17.904 -1.458 220 H4* C 21 H4* C 21 -12.188 -17.433 -3.762 221 H3* C 21 H3* C 21 -10.612 -19.727 -2.566 222 H2* C 21 H2* C 21 -9.511 -20.065 -4.568 223 2HO* C 21 2HO* C 21 -11.363 -18.548 -6.079 224 H1* C 21 H1* C 21 -9.750 -17.359 -5.541 225 1H4 C 21 H41 C 21 -3.520 -18.379 -4.817 226 2H4 C 21 H42 C 21 -3.711 -18.586 -3.091 227 H5 C 21 H5 C 21 -5.850 -18.544 -1.983 228 H6 C 21 H6 C 21 -8.271 -18.296 -2.292 229 H3T C 21 H3T C 21 -13.019 -19.632 -3.012 Start of MODEL 16 1 1H5* G 1 2H5* G 1 0.919 -16.517 -13.886 2 2H5* G 1 1H5* G 1 0.919 -14.892 -14.599 3 H4* G 1 H4* G 1 -1.148 -15.549 -15.336 4 H3* G 1 H3* G 1 -1.511 -14.516 -12.518 5 H2* G 1 H2* G 1 -3.768 -15.215 -12.492 6 2HO* G 1 2HO* G 1 -3.883 -16.077 -15.138 7 H1* G 1 H1* G 1 -3.478 -17.610 -13.757 8 H8 G 1 H8 G 1 -0.602 -17.958 -11.641 9 H1 G 1 H1 G 1 -5.822 -17.519 -8.006 10 1H2 G 1 H21 G 1 -7.519 -16.743 -9.204 11 2H2 G 1 H22 G 1 -7.364 -16.334 -10.898 12 H5T G 1 H5T G 1 0.733 -14.034 -12.685 13 1H5* G 2 2H5* G 2 -5.194 -14.185 -14.138 14 2H5* G 2 1H5* G 2 -5.236 -12.514 -14.737 15 H4* G 2 H4* G 2 -7.397 -12.834 -13.864 16 H3* G 2 H3* G 2 -5.532 -11.404 -11.970 17 H2* G 2 H2* G 2 -7.039 -11.495 -10.190 18 2HO* G 2 2HO* G 2 -9.376 -12.224 -11.073 19 H1* G 2 H1* G 2 -8.394 -13.867 -10.802 20 H8 G 2 H8 G 2 -4.656 -14.387 -10.729 21 H1 G 2 H1 G 2 -7.242 -14.180 -4.907 22 1H2 G 2 H21 G 2 -9.348 -13.488 -5.038 23 2H2 G 2 H22 G 2 -10.110 -13.078 -6.557 24 1H5* A 3 2H5* A 3 -8.790 -9.691 -11.357 25 2H5* A 3 1H5* A 3 -9.021 -7.978 -11.730 26 H4* A 3 H4* A 3 -9.712 -8.279 -9.478 27 H3* A 3 H3* A 3 -7.037 -6.941 -9.921 28 H2* A 3 H2* A 3 -6.565 -7.015 -7.660 29 2HO* A 3 2HO* A 3 -9.370 -6.584 -7.343 30 H1* A 3 H1* A 3 -8.743 -8.884 -6.995 31 H8 A 3 H8 A 3 -5.304 -9.676 -8.516 32 1H6 A 3 H61 A 3 -3.484 -11.134 -2.828 33 2H6 A 3 H62 A 3 -3.020 -11.078 -4.511 34 H2 A 3 H2 A 3 -7.692 -9.583 -2.579 35 1H5* U 4 2H5* U 4 -10.403 -5.038 -7.279 36 2H5* U 4 1H5* U 4 -10.267 -3.276 -7.429 37 H4* U 4 H4* U 4 -10.748 -3.972 -5.106 38 H3* U 4 H3* U 4 -8.133 -2.598 -5.787 39 H2* U 4 H2* U 4 -7.403 -2.758 -3.561 40 2HO* U 4 2HO* U 4 -9.066 -3.365 -1.894 41 H1* U 4 H1* U 4 -8.606 -5.183 -2.874 42 H3 U 4 H3 U 4 -4.299 -6.161 -2.218 43 H5 U 4 H5 U 4 -4.476 -5.354 -6.391 44 H6 U 4 H6 U 4 -6.811 -4.736 -6.086 45 1H5* G 5 2H5* G 5 -11.070 -0.689 -2.095 46 2H5* G 5 1H5* G 5 -10.351 0.934 -2.047 47 H4* G 5 H4* G 5 -10.647 -0.377 0.190 48 H3* G 5 H3* G 5 -8.282 1.222 -0.769 49 H2* G 5 H2* G 5 -6.919 0.531 1.030 50 2HO* G 5 2HO* G 5 -8.482 -0.926 2.607 51 H1* G 5 H1* G 5 -7.673 -2.083 1.202 52 H8 G 5 H8 G 5 -7.486 -0.833 -2.391 53 H1 G 5 H1 G 5 -1.853 -2.663 -0.042 54 1H2 G 5 H21 G 5 -2.028 -3.074 2.128 55 2H2 G 5 H22 G 5 -3.536 -2.897 2.998 56 1H5* C 6 2H5* C 6 -7.818 0.975 3.550 57 2H5* C 6 1H5* C 6 -7.873 2.679 4.016 58 H4* C 6 H4* C 6 -5.815 1.343 4.734 59 H3* C 6 H3* C 6 -5.869 4.035 3.342 60 H2* C 6 H2* C 6 -3.569 3.968 3.043 61 2HO* C 6 2HO* C 6 -3.597 3.776 5.555 62 H1* C 6 H1* C 6 -3.302 1.116 3.698 63 1H4 C 6 H41 C 6 0.099 2.048 -1.619 64 2H4 C 6 H42 C 6 -1.322 2.617 -2.464 65 H5 C 6 H5 C 6 -3.475 2.861 -1.413 66 H6 C 6 H6 C 6 -4.737 2.605 0.679 67 1H5* C 7 2H5* C 7 -3.510 4.688 7.540 68 2H5* C 7 1H5* C 7 -3.388 6.458 7.568 69 H4* C 7 H4* C 7 -1.204 4.953 7.464 70 H3* C 7 H3* C 7 -1.754 7.499 5.876 71 H2* C 7 H2* C 7 0.428 7.318 4.997 72 2HO* C 7 2HO* C 7 0.876 5.813 7.347 73 H1* C 7 H1* C 7 0.517 4.497 4.933 74 1H4 C 7 H41 C 7 0.125 6.554 -1.059 75 2H4 C 7 H42 C 7 -1.590 6.850 -0.873 76 H5 C 7 H5 C 7 -2.751 6.601 1.231 77 H6 C 7 H6 C 7 -2.504 6.016 3.600 78 1H5* U 8 2H5* U 8 1.756 8.250 9.150 79 2H5* U 8 1H5* U 8 1.932 10.014 9.182 80 H4* U 8 H4* U 8 4.008 8.473 8.639 81 H3* U 8 H3* U 8 3.187 11.103 7.375 82 H2* U 8 H2* U 8 4.969 10.969 5.828 83 2HO* U 8 2HO* U 8 6.392 10.180 7.694 84 H1* U 8 H1* U 8 4.885 8.266 5.318 85 H3 U 8 H3 U 8 3.660 10.383 1.501 86 H5 U 8 H5 U 8 0.253 10.642 3.964 87 H6 U 8 H6 U 8 1.568 9.692 5.770 88 1H5* C 9 2H5* C 9 7.799 11.673 7.170 89 2H5* C 9 1H5* C 9 7.745 13.314 7.848 90 H4* C 9 H4* C 9 8.567 12.925 5.366 91 H3* C 9 H3* C 9 7.102 15.119 6.684 92 H2* C 9 H2* C 9 5.733 15.702 4.934 93 2HO* C 9 2HO* C 9 6.699 16.191 2.922 94 H1* C 9 H1* C 9 6.595 13.709 2.956 95 1H4 C 9 H41 C 9 0.271 14.007 2.425 96 2H4 C 9 H42 C 9 0.067 13.537 4.097 97 H5 C 9 H5 C 9 1.915 13.192 5.608 98 H6 C 9 H6 C 9 4.349 13.215 5.835 99 1H5* C 10 2H5* C 10 8.241 19.347 5.486 100 2H5* C 10 1H5* C 10 6.781 18.622 4.785 101 H4* C 10 H4* C 10 7.873 20.736 3.649 102 H3* C 10 H3* C 10 6.133 18.758 2.693 103 H2* C 10 H2* C 10 7.756 17.342 1.716 104 2HO* C 10 2HO* C 10 8.044 18.939 -0.482 105 H1* C 10 H1* C 10 9.430 19.653 0.754 106 1H4 C 10 H41 C 10 13.580 14.902 0.091 107 2H4 C 10 H42 C 10 13.133 14.217 1.639 108 H5 C 10 H5 C 10 11.412 15.140 3.043 109 H6 C 10 H6 C 10 9.730 16.921 3.266 110 1H5* C 11 2H5* C 11 6.494 19.990 -0.558 111 2H5* C 11 1H5* C 11 5.743 21.304 -1.486 112 H4* C 11 H4* C 11 5.811 19.155 -2.750 113 H3* C 11 H3* C 11 3.694 20.923 -2.675 114 H2* C 11 H2* C 11 2.398 19.797 -1.026 115 2HO* C 11 2HO* C 11 0.750 19.362 -2.271 116 H1* C 11 H1* C 11 3.083 17.092 -2.171 117 1H4 C 11 H41 C 11 0.367 15.626 3.387 118 2H4 C 11 H42 C 11 1.596 16.521 4.248 119 H5 C 11 H5 C 11 3.303 17.814 3.156 120 H6 C 11 H6 C 11 4.207 18.526 0.995 121 1H5* G 12 2H5* G 12 5.085 17.195 -5.270 122 2H5* G 12 1H5* G 12 5.926 17.199 -3.708 123 H4* G 12 H4* G 12 7.279 17.164 -6.433 124 H3* G 12 H3* G 12 6.428 15.005 -4.511 125 H2* G 12 H2* G 12 8.499 13.932 -4.555 126 2HO* G 12 2HO* G 12 9.798 15.105 -6.615 127 H1* G 12 H1* G 12 10.185 16.153 -5.034 128 H8 G 12 H8 G 12 11.602 15.708 -2.972 129 H1 G 12 H1 G 12 6.605 14.738 0.864 130 1H2 G 12 H21 G 12 4.718 14.953 -0.265 131 2H2 G 12 H22 G 12 4.677 15.341 -1.969 132 1H5* A 13 2H5* A 13 9.059 11.963 -7.431 133 2H5* A 13 1H5* A 13 7.628 10.924 -7.280 134 H4* A 13 H4* A 13 10.073 10.561 -5.980 135 H3* A 13 H3* A 13 7.291 9.435 -5.725 136 H2* A 13 H2* A 13 7.710 8.546 -3.578 137 2HO* A 13 2HO* A 13 10.248 8.993 -3.040 138 H1* A 13 H1* A 13 9.159 10.579 -2.511 139 H8 A 13 H8 A 13 6.342 11.818 -4.766 140 1H6 A 13 H61 A 13 2.641 11.344 0.140 141 2H6 A 13 H62 A 13 2.759 11.895 -1.516 142 H2 A 13 H2 A 13 6.628 9.579 1.221 143 1H5* G 14 2H5* G 14 10.529 6.550 -4.776 144 2H5* G 14 1H5* G 14 10.020 4.851 -4.840 145 H4* G 14 H4* G 14 10.774 5.939 -2.549 146 H3* G 14 H3* G 14 8.613 3.932 -3.169 147 H2* G 14 H2* G 14 7.530 4.164 -1.137 148 2HO* G 14 2HO* G 14 10.022 5.102 -0.093 149 H1* G 14 H1* G 14 8.247 6.789 -0.413 150 H8 G 14 H8 G 14 6.608 6.676 -3.808 151 H1 G 14 H1 G 14 2.387 6.165 0.927 152 1H2 G 14 H21 G 14 3.443 5.831 2.856 153 2H2 G 14 H22 G 14 5.185 5.735 2.968 154 1H5* U 15 2H5* U 15 10.504 3.019 0.829 155 2H5* U 15 1H5* U 15 11.952 2.723 -0.155 156 H4* U 15 H4* U 15 12.707 1.387 1.486 157 H3* U 15 H3* U 15 10.307 -0.195 0.592 158 H2* U 15 H2* U 15 10.598 -1.674 2.412 159 2HO* U 15 2HO* U 15 13.193 -0.500 2.575 160 H1* U 15 H1* U 15 11.258 0.231 4.284 161 H3 U 15 H3 U 15 7.187 -1.907 4.966 162 H5 U 15 H5 U 15 6.420 1.779 3.074 163 H6 U 15 H6 U 15 8.805 1.969 2.630 164 1H5* G 16 2H5* G 16 9.833 -3.202 -1.315 165 2H5* G 16 1H5* G 16 8.697 -2.094 -2.108 166 H4* G 16 H4* G 16 8.948 -2.707 0.879 167 H3* G 16 H3* G 16 6.894 -3.236 -1.365 168 H2* G 16 H2* G 16 5.097 -2.813 0.077 169 2HO* G 16 2HO* G 16 6.911 -3.178 2.266 170 H1* G 16 H1* G 16 6.274 -0.866 1.751 171 H8 G 16 H8 G 16 6.677 -0.079 -1.946 172 H1 G 16 H1 G 16 0.896 1.418 0.324 173 1H2 G 16 H21 G 16 0.648 0.607 2.368 174 2H2 G 16 H22 G 16 1.904 -0.299 3.181 175 1H5* C 17 2H5* C 17 6.315 -4.907 2.940 176 2H5* C 17 1H5* C 17 5.989 -6.627 2.648 177 H4* C 17 H4* C 17 4.585 -5.671 4.472 178 H3* C 17 H3* C 17 3.330 -6.769 1.939 179 H2* C 17 H2* C 17 1.174 -6.272 2.741 180 2HO* C 17 2HO* C 17 1.940 -5.490 5.316 181 H1* C 17 H1* C 17 1.771 -3.855 4.037 182 1H4 C 17 H41 C 17 -0.970 -2.481 -1.550 183 2H4 C 17 H42 C 17 0.545 -2.751 -2.379 184 H5 C 17 H5 C 17 2.515 -3.553 -1.282 185 H6 C 17 H6 C 17 3.487 -4.278 0.851 186 1H5* A 18 2H5* A 18 1.320 -8.686 6.140 187 2H5* A 18 1H5* A 18 0.913 -10.242 5.391 188 H4* A 18 H4* A 18 -0.948 -8.919 6.657 189 H3* A 18 H3* A 18 -1.108 -10.358 4.015 190 H2* A 18 H2* A 18 -3.292 -9.555 3.584 191 2HO* A 18 2HO* A 18 -4.465 -9.729 5.379 192 H1* A 18 H1* A 18 -2.986 -6.991 4.392 193 H8 A 18 H8 A 18 0.231 -8.246 2.839 194 1H6 A 18 H61 A 18 -2.171 -6.755 -2.642 195 2H6 A 18 H62 A 18 -0.725 -7.278 -1.808 196 H2 A 18 H2 A 18 -5.395 -6.346 0.457 197 1H5* U 19 2H5* U 19 -4.581 -12.561 6.407 198 2H5* U 19 1H5* U 19 -4.670 -14.070 5.477 199 H4* U 19 H4* U 19 -6.700 -12.379 5.460 200 H3* U 19 H3* U 19 -5.510 -13.954 3.162 201 H2* U 19 H2* U 19 -7.025 -12.970 1.646 202 2HO* U 19 2HO* U 19 -8.941 -12.072 2.273 203 H1* U 19 H1* U 19 -6.980 -10.383 2.680 204 H3 U 19 H3 U 19 -5.020 -10.435 -1.463 205 H5 U 19 H5 U 19 -2.004 -11.771 1.231 206 H6 U 19 H6 U 19 -3.701 -11.835 2.963 207 1H5* C 20 2H5* C 20 -10.056 -15.131 3.384 208 2H5* C 20 1H5* C 20 -10.129 -16.703 2.566 209 H4* C 20 H4* C 20 -11.468 -14.640 1.607 210 H3* C 20 H3* C 20 -9.880 -16.745 0.109 211 H2* C 20 H2* C 20 -10.341 -15.670 -1.949 212 2HO* C 20 2HO* C 20 -12.574 -14.870 -0.593 213 H1* C 20 H1* C 20 -10.048 -13.071 -1.116 214 1H4 C 20 H41 C 20 -4.604 -15.097 -3.794 215 2H4 C 20 H42 C 20 -4.004 -15.522 -2.205 216 H5 C 20 H5 C 20 -5.355 -15.411 -0.212 217 H6 C 20 H6 C 20 -7.572 -14.870 0.687 218 1H5* C 21 2H5* C 21 -12.675 -15.509 -2.604 219 2H5* C 21 1H5* C 21 -13.800 -16.871 -2.787 220 H4* C 21 H4* C 21 -13.110 -16.053 -4.992 221 H3* C 21 H3* C 21 -12.027 -18.740 -4.104 222 H2* C 21 H2* C 21 -10.890 -18.980 -6.098 223 2HO* C 21 2HO* C 21 -12.692 -18.723 -7.457 224 H1* C 21 H1* C 21 -10.627 -16.158 -6.667 225 1H4 C 21 H41 C 21 -4.702 -18.367 -6.022 226 2H4 C 21 H42 C 21 -4.985 -18.753 -4.339 227 H5 C 21 H5 C 21 -7.121 -18.473 -3.261 228 H6 C 21 H6 C 21 -9.448 -17.762 -3.564 229 H3T C 21 H3T C 21 -14.073 -19.081 -4.574 Start of MODEL 17 1 1H5* G 1 2H5* G 1 1.803 -16.045 -11.143 2 2H5* G 1 1H5* G 1 1.938 -14.428 -11.863 3 H4* G 1 H4* G 1 0.702 -15.428 -13.520 4 H3* G 1 H3* G 1 -0.828 -13.746 -12.006 5 H2* G 1 H2* G 1 -1.813 -15.308 -10.533 6 2HO* G 1 2HO* G 1 -3.634 -16.221 -12.313 7 H1* G 1 H1* G 1 -2.152 -17.462 -12.570 8 H8 G 1 H8 G 1 0.385 -18.774 -10.575 9 H1 G 1 H1 G 1 -4.799 -18.342 -6.888 10 1H2 G 1 H21 G 1 -6.288 -16.993 -7.826 11 2H2 G 1 H22 G 1 -6.004 -16.200 -9.359 12 H5T G 1 H5T G 1 1.158 -14.745 -9.557 13 1H5* G 2 2H5* G 2 -4.876 -15.063 -13.543 14 2H5* G 2 1H5* G 2 -5.096 -13.710 -14.669 15 H4* G 2 H4* G 2 -7.000 -13.387 -13.449 16 H3* G 2 H3* G 2 -4.741 -11.989 -12.030 17 H2* G 2 H2* G 2 -5.923 -11.710 -10.046 18 2HO* G 2 2HO* G 2 -8.312 -11.822 -10.107 19 H1* G 2 H1* G 2 -7.685 -13.889 -10.171 20 H8 G 2 H8 G 2 -3.897 -14.495 -10.474 21 H1 G 2 H1 G 2 -6.128 -14.613 -4.502 22 1H2 G 2 H21 G 2 -8.256 -13.984 -4.478 23 2H2 G 2 H22 G 2 -9.120 -13.535 -5.931 24 1H5* A 3 2H5* A 3 -8.270 -10.085 -11.344 25 2H5* A 3 1H5* A 3 -8.320 -8.348 -11.667 26 H4* A 3 H4* A 3 -9.175 -8.863 -9.432 27 H3* A 3 H3* A 3 -6.668 -7.221 -9.837 28 H2* A 3 H2* A 3 -6.182 -7.277 -7.577 29 2HO* A 3 2HO* A 3 -7.779 -6.938 -6.043 30 H1* A 3 H1* A 3 -8.118 -9.390 -6.917 31 H8 A 3 H8 A 3 -4.687 -9.816 -8.552 32 1H6 A 3 H61 A 3 -2.542 -11.239 -2.968 33 2H6 A 3 H62 A 3 -2.149 -11.118 -4.667 34 H2 A 3 H2 A 3 -6.842 -10.015 -2.530 35 1H5* U 4 2H5* U 4 -10.022 -6.146 -7.175 36 2H5* U 4 1H5* U 4 -10.521 -4.452 -7.365 37 H4* U 4 H4* U 4 -10.794 -5.037 -5.048 38 H3* U 4 H3* U 4 -8.456 -3.237 -5.727 39 H2* U 4 H2* U 4 -7.713 -3.229 -3.502 40 2HO* U 4 2HO* U 4 -9.149 -3.871 -1.772 41 H1* U 4 H1* U 4 -8.471 -5.808 -2.758 42 H3 U 4 H3 U 4 -4.061 -6.102 -2.151 43 H5 U 4 H5 U 4 -4.399 -5.263 -6.308 44 H6 U 4 H6 U 4 -6.800 -5.048 -5.983 45 1H5* G 5 2H5* G 5 -11.788 -1.483 -2.045 46 2H5* G 5 1H5* G 5 -11.151 0.169 -2.166 47 H4* G 5 H4* G 5 -11.355 -0.997 0.189 48 H3* G 5 H3* G 5 -9.198 0.784 -0.924 49 H2* G 5 H2* G 5 -7.746 0.396 0.888 50 2HO* G 5 2HO* G 5 -9.127 -1.081 2.616 51 H1* G 5 H1* G 5 -8.212 -2.262 1.308 52 H8 G 5 H8 G 5 -8.143 -1.307 -2.381 53 H1 G 5 H1 G 5 -2.358 -2.339 0.090 54 1H2 G 5 H21 G 5 -2.506 -2.590 2.289 55 2H2 G 5 H22 G 5 -4.030 -2.502 3.145 56 1H5* C 6 2H5* C 6 -8.751 0.954 3.439 57 2H5* C 6 1H5* C 6 -8.938 2.684 3.757 58 H4* C 6 H4* C 6 -6.769 1.511 4.533 59 H3* C 6 H3* C 6 -7.089 4.166 3.110 60 H2* C 6 H2* C 6 -4.822 4.286 2.690 61 2HO* C 6 2HO* C 6 -3.709 2.871 4.696 62 H1* C 6 H1* C 6 -4.253 1.506 3.472 63 1H4 C 6 H41 C 6 -1.042 2.450 -1.954 64 2H4 C 6 H42 C 6 -2.523 2.841 -2.798 65 H5 C 6 H5 C 6 -4.671 2.959 -1.710 66 H6 C 6 H6 C 6 -5.863 2.720 0.421 67 1H5* C 7 2H5* C 7 -5.069 5.131 7.486 68 2H5* C 7 1H5* C 7 -4.979 6.904 7.466 69 H4* C 7 H4* C 7 -2.766 5.442 7.547 70 H3* C 7 H3* C 7 -3.310 7.954 5.922 71 H2* C 7 H2* C 7 -1.154 7.817 5.004 72 2HO* C 7 2HO* C 7 0.355 6.179 6.044 73 H1* C 7 H1* C 7 -0.954 5.035 4.877 74 1H4 C 7 H41 C 7 -1.874 7.140 -1.044 75 2H4 C 7 H42 C 7 -3.534 7.559 -0.682 76 H5 C 7 H5 C 7 -4.504 7.336 1.517 77 H6 C 7 H6 C 7 -4.084 6.668 3.840 78 1H5* U 8 2H5* U 8 0.614 7.578 8.504 79 2H5* U 8 1H5* U 8 1.257 9.213 8.738 80 H4* U 8 H4* U 8 2.769 7.311 7.696 81 H3* U 8 H3* U 8 2.567 10.231 6.870 82 H2* U 8 H2* U 8 4.164 9.843 5.156 83 2HO* U 8 2HO* U 8 4.629 7.265 6.310 84 H1* U 8 H1* U 8 3.217 7.428 4.287 85 H3 U 8 H3 U 8 2.476 10.685 1.167 86 H5 U 8 H5 U 8 -0.719 11.050 3.882 87 H6 U 8 H6 U 8 0.397 9.426 5.308 88 1H5* C 9 2H5* C 9 7.131 9.943 7.298 89 2H5* C 9 1H5* C 9 7.456 11.577 7.911 90 H4* C 9 H4* C 9 8.370 10.841 5.545 91 H3* C 9 H3* C 9 7.331 13.435 6.567 92 H2* C 9 H2* C 9 6.635 14.281 4.545 93 2HO* C 9 2HO* C 9 8.081 14.484 2.985 94 H1* C 9 H1* C 9 6.859 11.916 2.875 95 1H4 C 9 H41 C 9 1.016 14.316 2.025 96 2H4 C 9 H42 C 9 0.535 13.741 3.605 97 H5 C 9 H5 C 9 2.064 12.700 5.155 98 H6 C 9 H6 C 9 4.375 11.990 5.519 99 1H5* C 10 2H5* C 10 8.463 16.128 5.096 100 2H5* C 10 1H5* C 10 9.366 14.729 4.483 101 H4* C 10 H4* C 10 10.599 17.481 4.916 102 H3* C 10 H3* C 10 8.708 16.916 2.922 103 H2* C 10 H2* C 10 9.896 15.198 1.816 104 2HO* C 10 2HO* C 10 9.953 16.459 0.091 105 H1* C 10 H1* C 10 12.562 16.524 2.239 106 1H4 C 10 H41 C 10 14.314 10.679 0.491 107 2H4 C 10 H42 C 10 13.233 9.952 1.659 108 H5 C 10 H5 C 10 11.750 11.231 3.061 109 H6 C 10 H6 C 10 10.970 13.487 3.637 110 1H5* C 11 2H5* C 11 10.227 18.621 0.508 111 2H5* C 11 1H5* C 11 10.147 20.292 -0.087 112 H4* C 11 H4* C 11 9.494 18.585 -1.804 113 H3* C 11 H3* C 11 8.308 21.046 -1.390 114 H2* C 11 H2* C 11 6.469 20.291 -0.080 115 2HO* C 11 2HO* C 11 5.519 21.216 -1.914 116 H1* C 11 H1* C 11 6.120 17.832 -1.793 117 1H4 C 11 H41 C 11 2.328 16.580 3.149 118 2H4 C 11 H42 C 11 3.653 16.798 4.269 119 H5 C 11 H5 C 11 5.853 17.503 3.589 120 H6 C 11 H6 C 11 7.260 18.150 1.688 121 1H5* G 12 2H5* G 12 7.826 17.816 -4.668 122 2H5* G 12 1H5* G 12 8.592 17.166 -3.205 123 H4* G 12 H4* G 12 9.501 16.635 -6.061 124 H3* G 12 H3* G 12 7.657 15.205 -4.169 125 H2* G 12 H2* G 12 8.710 13.143 -4.399 126 2HO* G 12 2HO* G 12 10.338 13.304 -6.471 127 H1* G 12 H1* G 12 11.348 13.983 -4.969 128 H8 G 12 H8 G 12 12.673 13.394 -2.815 129 H1 G 12 H1 G 12 7.427 13.359 0.804 130 1H2 G 12 H21 G 12 5.699 14.122 -0.344 131 2H2 G 12 H22 G 12 5.830 14.643 -2.010 132 1H5* A 13 2H5* A 13 6.932 13.067 -7.718 133 2H5* A 13 1H5* A 13 5.439 12.115 -7.581 134 H4* A 13 H4* A 13 7.891 11.135 -6.955 135 H3* A 13 H3* A 13 5.094 10.490 -6.070 136 H2* A 13 H2* A 13 5.793 9.225 -4.207 137 2HO* A 13 2HO* A 13 8.293 9.180 -5.565 138 H1* A 13 H1* A 13 7.775 10.799 -3.287 139 H8 A 13 H8 A 13 5.396 13.317 -4.572 140 1H6 A 13 H61 A 13 1.777 12.278 0.299 141 2H6 A 13 H62 A 13 2.084 13.337 -1.058 142 H2 A 13 H2 A 13 4.866 9.020 0.142 143 1H5* G 14 2H5* G 14 7.628 7.570 -6.174 144 2H5* G 14 1H5* G 14 7.447 5.815 -6.360 145 H4* G 14 H4* G 14 8.055 6.864 -4.013 146 H3* G 14 H3* G 14 6.916 4.399 -4.786 147 H2* G 14 H2* G 14 4.713 4.761 -4.099 148 2HO* G 14 2HO* G 14 5.014 3.369 -2.501 149 H1* G 14 H1* G 14 5.413 6.660 -1.894 150 H8 G 14 H8 G 14 3.701 7.424 -5.245 151 H1 G 14 H1 G 14 -0.286 6.892 -0.303 152 1H2 G 14 H21 G 14 0.819 6.211 1.484 153 2H2 G 14 H22 G 14 2.536 5.884 1.465 154 1H5* U 15 2H5* U 15 9.380 5.222 -0.864 155 2H5* U 15 1H5* U 15 10.818 4.378 -1.477 156 H4* U 15 H4* U 15 11.366 4.222 0.725 157 H3* U 15 H3* U 15 9.254 2.083 0.384 158 H2* U 15 H2* U 15 9.581 1.540 2.686 159 2HO* U 15 2HO* U 15 11.893 1.798 2.670 160 H1* U 15 H1* U 15 9.528 4.121 3.553 161 H3 U 15 H3 U 15 5.520 2.588 4.896 162 H5 U 15 H5 U 15 5.067 3.057 0.733 163 H6 U 15 H6 U 15 7.437 3.542 0.593 164 1H5* G 16 2H5* G 16 9.352 -1.478 -0.982 165 2H5* G 16 1H5* G 16 8.131 -0.560 -1.884 166 H4* G 16 H4* G 16 8.346 -0.882 1.152 167 H3* G 16 H3* G 16 6.471 -1.940 -1.066 168 H2* G 16 H2* G 16 4.597 -1.669 0.310 169 2HO* G 16 2HO* G 16 5.615 -1.082 2.737 170 H1* G 16 H1* G 16 5.428 0.592 1.790 171 H8 G 16 H8 G 16 5.712 0.959 -2.007 172 H1 G 16 H1 G 16 -0.152 2.062 0.263 173 1H2 G 16 H21 G 16 -0.260 1.493 2.401 174 2H2 G 16 H22 G 16 1.114 0.848 3.272 175 1H5* C 17 2H5* C 17 5.933 -3.253 3.385 176 2H5* C 17 1H5* C 17 5.956 -5.020 3.224 177 H4* C 17 H4* C 17 4.293 -4.265 4.895 178 H3* C 17 H3* C 17 3.398 -5.679 2.367 179 H2* C 17 H2* C 17 1.144 -5.504 2.997 180 2HO* C 17 2HO* C 17 0.681 -4.808 5.279 181 H1* C 17 H1* C 17 1.250 -2.993 4.265 182 1H4 C 17 H41 C 17 -1.469 -2.179 -1.432 183 2H4 C 17 H42 C 17 0.085 -2.297 -2.222 184 H5 C 17 H5 C 17 2.121 -2.797 -1.051 185 H6 C 17 H6 C 17 3.122 -3.295 1.132 186 1H5* A 18 2H5* A 18 1.275 -6.790 5.788 187 2H5* A 18 1H5* A 18 1.772 -8.429 6.253 188 H4* A 18 H4* A 18 -0.519 -8.382 6.777 189 H3* A 18 H3* A 18 0.094 -9.710 4.149 190 H2* A 18 H2* A 18 -2.179 -9.871 3.534 191 2HO* A 18 2HO* A 18 -3.688 -9.056 5.443 192 H1* A 18 H1* A 18 -3.065 -7.453 4.371 193 H8 A 18 H8 A 18 0.512 -7.599 2.963 194 1H6 A 18 H61 A 18 -2.007 -6.244 -2.498 195 2H6 A 18 H62 A 18 -0.505 -6.482 -1.634 196 H2 A 18 H2 A 18 -5.331 -6.885 0.458 197 1H5* U 19 2H5* U 19 -3.270 -12.057 6.507 198 2H5* U 19 1H5* U 19 -3.198 -13.687 5.805 199 H4* U 19 H4* U 19 -5.405 -12.244 5.597 200 H3* U 19 H3* U 19 -4.067 -14.007 3.527 201 H2* U 19 H2* U 19 -5.667 -13.414 1.908 202 2HO* U 19 2HO* U 19 -7.686 -13.147 2.485 203 H1* U 19 H1* U 19 -5.958 -10.721 2.599 204 H3 U 19 H3 U 19 -4.078 -10.740 -1.529 205 H5 U 19 H5 U 19 -0.937 -11.993 1.062 206 H6 U 19 H6 U 19 -2.560 -12.029 2.868 207 1H5* C 20 2H5* C 20 -8.549 -15.264 4.060 208 2H5* C 20 1H5* C 20 -8.686 -16.892 3.368 209 H4* C 20 H4* C 20 -10.070 -14.888 2.347 210 H3* C 20 H3* C 20 -8.607 -17.125 0.916 211 H2* C 20 H2* C 20 -9.167 -16.201 -1.183 212 2HO* C 20 2HO* C 20 -10.714 -14.236 -1.025 213 H1* C 20 H1* C 20 -8.849 -13.538 -0.563 214 1H4 C 20 H41 C 20 -3.553 -15.529 -3.495 215 2H4 C 20 H42 C 20 -2.888 -16.033 -1.956 216 H5 C 20 H5 C 20 -4.139 -15.980 0.104 217 H6 C 20 H6 C 20 -6.299 -15.431 1.131 218 1H5* C 21 2H5* C 21 -11.905 -15.737 -1.600 219 2H5* C 21 1H5* C 21 -12.831 -17.220 -1.907 220 H4* C 21 H4* C 21 -12.043 -15.899 -3.968 221 H3* C 21 H3* C 21 -11.456 -18.834 -3.497 222 H2* C 21 H2* C 21 -10.309 -18.963 -5.496 223 2HO* C 21 2HO* C 21 -10.814 -16.884 -6.960 224 H1* C 21 H1* C 21 -9.573 -16.169 -5.634 225 1H4 C 21 H41 C 21 -4.114 -19.416 -5.349 226 2H4 C 21 H42 C 21 -4.502 -20.011 -3.752 227 H5 C 21 H5 C 21 -6.586 -19.547 -2.640 228 H6 C 21 H6 C 21 -8.751 -18.411 -2.818 229 H3T C 21 H3T C 21 -13.332 -17.270 -4.962
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