DOPE - 128 lipids & 40 H2O/lipid 31872 1DOPE N 1 4.155 1.715 6.837 -0.9118 0.4759 0.1074 1DOPE HN1 2 4.114 1.620 6.851 1.1712 -0.5973 -0.5395 1DOPE HN2 3 4.257 1.714 6.856 -0.8422 0.4843 -0.2623 1DOPE HN3 4 4.118 1.788 6.900 1.1807 0.6253 1.2547 1DOPE C12 5 4.145 1.744 6.689 0.0021 -0.0997 -0.0773 1DOPE H12A 6 4.036 1.739 6.669 -0.3602 -1.5117 1.9561 1DOPE H12B 7 4.194 1.655 6.645 -0.8567 0.2208 -1.7640 1DOPE C11 8 4.220 1.872 6.650 -1.3804 0.6735 -0.2726 1DOPE H11A 9 4.194 1.888 6.543 -2.1035 0.5901 -0.1130 1DOPE H11B 10 4.330 1.856 6.653 -1.4522 0.0143 -0.7612 1DOPE P 11 4.286 2.112 6.722 0.0705 -0.2178 0.1669 1DOPE O13 12 4.378 2.106 6.838 0.2150 0.1524 0.0736 1DOPE O14 13 4.210 2.238 6.709 0.8619 0.2517 -0.0151 1DOPE O11 14 4.367 2.087 6.586 0.2560 0.5314 0.1327 1DOPE O12 15 4.186 1.988 6.726 -0.5606 0.3018 0.6869 1DOPE C1 16 4.495 2.149 6.572 0.6621 -0.2858 0.1422 1DOPE HA 17 4.549 2.083 6.500 -1.5136 -3.2816 1.0652 1DOPE HB 18 4.544 2.160 6.671 -1.8554 -0.7560 1.5358 1DOPE C2 19 4.484 2.290 6.512 -0.4717 -0.4372 -0.0341 1DOPE HS 20 4.444 2.358 6.590 1.3908 -2.1220 2.5268 1DOPE O21 21 4.405 2.277 6.394 -0.4346 -0.0247 -0.1066 1DOPE C21 22 4.371 2.398 6.348 0.6617 0.2769 -0.1496 1DOPE O22 23 4.399 2.505 6.399 -0.1727 0.2596 0.3663 1DOPE C22 24 4.286 2.379 6.223 0.0114 0.0690 0.3139 1DOPE H2R 25 4.180 2.410 6.233 0.5681 3.0668 -1.6581 1DOPE H2S 26 4.293 2.274 6.189 0.3624 0.4920 -0.9987 1DOPE C3 27 4.626 2.338 6.473 -0.6208 -0.1402 -0.2179 1DOPE HX 28 4.691 2.365 6.559 0.8429 2.1594 -1.9379 1DOPE HY 29 4.620 2.433 6.415 0.5298 0.3064 0.3614 1DOPE O31 30 4.696 2.246 6.390 -0.4888 -0.4541 0.2381 1DOPE C31 31 4.691 2.269 6.259 -0.4205 -0.3615 0.2511 1DOPE O32 32 4.651 2.371 6.206 0.5466 -0.1207 -0.0399 1DOPE C32 33 4.733 2.144 6.181 -0.1453 -0.0812 -0.0517 1DOPE H2X 34 4.828 2.106 6.224 -0.1987 -2.3037 -1.7693 1DOPE H2Y 35 4.666 2.059 6.203 0.6680 -0.7499 -0.1350 1DOPE C23 36 4.350 2.462 6.111 -0.4102 -0.1596 -0.0935 1DOPE H3R 37 4.453 2.489 6.141 -0.7849 0.3308 0.7618 1DOPE H3S 38 4.302 2.562 6.109 1.2255 0.6670 -2.3940 1DOPE C24 39 4.343 2.404 5.969 -0.2525 -0.5911 0.0725 1DOPE H4R 40 4.240 2.384 5.934 -0.1919 1.7406 -1.7148 1DOPE H4S 41 4.391 2.304 5.963 1.2952 0.1819 -1.9643 1DOPE C25 42 4.403 2.484 5.853 -0.4979 -0.3084 0.1391 1DOPE H5R 43 4.361 2.587 5.855 -0.2133 -0.2019 1.3917 1DOPE H5S 44 4.382 2.426 5.761 -0.1610 0.6610 -0.5636 1DOPE C26 45 4.556 2.495 5.863 -0.5238 -0.2966 0.5569 1DOPE H6R 46 4.606 2.397 5.870 -0.6671 -0.3305 1.1347 1DOPE H6S 47 4.588 2.553 5.952 0.4366 0.0856 -0.0229 1DOPE C27 48 4.619 2.557 5.738 -0.2595 0.5846 1.1231 1DOPE H7R 49 4.597 2.489 5.653 -0.8776 0.4665 1.3728 1DOPE H7S 50 4.729 2.553 5.756 0.0833 -0.9268 -1.0044 1DOPE C28 51 4.578 2.702 5.711 -0.3300 0.3486 -0.1053 1DOPE H8R 52 4.591 2.746 5.813 0.3410 -0.7404 0.2878 1DOPE H8S 53 4.468 2.700 5.701 -0.4285 -1.0195 1.0211 1DOPE C29 54 4.648 2.773 5.599 -0.2121 0.5670 0.1032 1DOPE H9R 55 4.731 2.838 5.629 1.4419 0.0170 -2.8406 1DOPE C210 56 4.612 2.770 5.470 0.1057 -0.0470 0.0248 1DOPE H10R 57 4.663 2.831 5.395 -0.6489 -0.4041 -0.8011 1DOPE C211 58 4.494 2.701 5.407 0.0476 0.0447 0.0330 1DOPE H11R 59 4.429 2.653 5.484 1.1257 0.0044 0.9401 1DOPE H11S 60 4.518 2.631 5.325 3.1687 -0.8436 1.5541 1DOPE C212 61 4.406 2.811 5.347 0.3145 0.0421 -0.3638 1DOPE H12R 62 4.466 2.885 5.289 1.0613 -0.6923 -0.5419 1DOPE H12S 63 4.370 2.861 5.439 3.7059 2.5970 -0.2067 1DOPE C213 64 4.287 2.761 5.265 -0.5296 0.4249 0.6156 1DOPE H13R 65 4.214 2.712 5.335 0.6799 -1.2070 0.7999 1DOPE H13S 66 4.332 2.695 5.188 -1.7787 -1.8491 1.6993 1DOPE C214 67 4.223 2.870 5.179 -0.3326 -0.0246 -0.1060 1DOPE H14R 68 4.310 2.923 5.134 1.8249 -2.4483 0.9666 1DOPE H14S 69 4.184 2.945 5.252 0.3208 -0.0460 0.2702 1DOPE C215 70 4.105 2.830 5.091 -0.2286 0.4090 -0.4447 1DOPE H15R 71 4.024 2.903 5.113 -0.7159 -1.0580 3.3717 1DOPE H15S 72 4.073 2.728 5.121 -1.4030 1.1698 1.0241 1DOPE C216 73 4.141 2.809 4.943 0.1218 -0.3828 -0.2533 1DOPE H16R 74 4.234 2.748 4.949 -0.3410 -1.2733 -1.6781 1DOPE H16S 75 4.173 2.908 4.904 2.0722 -0.4410 1.0492 1DOPE C217 76 4.031 2.749 4.857 -0.0417 -0.1151 -0.2334 1DOPE H17R 77 4.053 2.803 4.763 0.9352 1.6962 0.9768 1DOPE H17S 78 3.929 2.770 4.897 0.4080 0.4436 0.6447 1DOPE C218 79 4.059 2.599 4.844 0.4062 -0.0251 -0.3212 1DOPE H18R 80 4.167 2.575 4.840 0.3308 -0.2239 -1.5999 1DOPE H18S 81 4.014 2.579 4.745 0.5023 1.2844 -0.6461 1DOPE H18T 82 4.015 2.538 4.927 0.8991 -0.7223 -0.5669 1DOPE C33 83 4.741 2.171 6.031 -0.1476 0.0720 -0.0244 1DOPE H3X 84 4.639 2.181 5.988 -0.3016 -3.0392 -0.5515 1DOPE H3Y 85 4.790 2.271 6.038 0.0593 -0.0811 0.7453 1DOPE C34 86 4.824 2.070 5.952 -0.2337 -0.0097 -0.0093 1DOPE H4X 87 4.751 1.992 5.922 -2.1790 1.2641 1.1791 1DOPE H4Y 88 4.890 2.022 6.027 0.8458 0.2179 -0.7958 1DOPE C35 89 4.901 2.119 5.829 0.4821 0.0484 0.4534 1DOPE H5X 90 4.952 2.034 5.780 0.2649 -0.3319 0.8840 1DOPE H5Y 91 4.980 2.184 5.873 -0.6754 1.3411 0.7096 1DOPE C36 92 4.824 2.190 5.717 -0.5560 -0.2731 0.9453 1DOPE H6X 93 4.772 2.273 5.769 -0.5383 -0.2368 0.9065 1DOPE H6Y 94 4.889 2.227 5.634 -1.8377 0.4828 0.2412 1DOPE C37 95 4.713 2.105 5.655 0.2429 -0.2478 -0.5893 1DOPE H7X 96 4.744 2.005 5.618 1.1926 0.6098 -2.1709 1DOPE H7Y 97 4.639 2.079 5.735 0.8724 -0.4266 -0.0521 1DOPE C38 98 4.644 2.186 5.546 -0.0343 -0.1010 -0.3080 1DOPE H8X 99 4.603 2.281 5.584 -2.6247 -0.1872 -2.5587 1DOPE H8Y 100 4.726 2.211 5.474 -1.4199 -1.7152 -2.5658 1DOPE C39 101 4.543 2.114 5.461 -0.3358 -0.2457 0.1755 1DOPE H9X 102 4.577 2.029 5.400 0.2855 0.2660 -0.1900 1DOPE C310 103 4.419 2.158 5.437 -0.1152 0.1635 -0.2229 1DOPE H10X 104 4.358 2.096 5.369 -1.0007 1.2896 -0.4818 1DOPE C311 105 4.351 2.276 5.501 -0.2731 -0.1497 0.1904 1DOPE H11X 106 4.382 2.298 5.605 -1.4040 -0.3027 0.5760 1DOPE H11Y 107 4.377 2.368 5.445 -0.3907 -1.2264 -1.7117 1DOPE C312 108 4.202 2.244 5.514 -0.3856 0.3887 0.2260 1DOPE H12X 109 4.195 2.156 5.582 3.9305 0.5663 1.1820 1DOPE H12Y 110 4.173 2.221 5.409 -0.4926 -2.3295 0.7854 1DOPE C313 111 4.118 2.354 5.579 -0.4692 0.4821 -0.0410 1DOPE H13X 112 4.016 2.311 5.593 -0.7657 0.9526 -0.6878 1DOPE H13Y 113 4.156 2.383 5.679 -0.5971 -0.8124 0.3997 1DOPE C314 114 4.127 2.486 5.501 -0.0044 0.2660 -0.3568 1DOPE H14X 115 4.103 2.464 5.395 -0.1390 1.0684 -0.4990 1DOPE H14Y 116 4.232 2.523 5.494 -0.7374 2.2836 -1.5323 1DOPE C315 117 4.047 2.598 5.568 0.0916 0.0026 0.2041 1DOPE H15X 118 4.075 2.602 5.676 -0.2568 0.8443 0.2677 1DOPE H15Y 119 4.068 2.697 5.522 -2.9909 -0.2181 -1.9760 1DOPE C316 120 3.896 2.581 5.552 0.1163 -0.0125 -0.0148 1DOPE H16X 121 3.867 2.479 5.586 -1.1093 0.8514 1.6866 1DOPE H16Y 122 3.857 2.654 5.626 1.7544 -0.0325 0.9065 1DOPE C317 123 3.850 2.608 5.409 0.1021 0.0975 0.0104 1DOPE H17X 124 3.895 2.527 5.347 -1.3026 -0.7378 0.0497 1DOPE H17Y 125 3.896 2.703 5.374 -0.5592 0.8236 1.0823 1DOPE C318 126 3.698 2.616 5.394 0.0564 -0.7439 -0.0313 1DOPE H18X 127 3.654 2.516 5.416 -1.3007 -0.2697 -0.5284 1DOPE H18Y 128 3.648 2.689 5.460 -1.5409 -1.8834 0.0875 1DOPE H18Z 129 3.671 2.649 5.292 -0.7345 1.9646 0.9746 2DOPE N 130 4.932 4.969 6.716 -0.9156 0.3257 0.3905 2DOPE HN1 131 4.847 4.935 6.666 -0.5772 1.4021 -0.9599 2DOPE HN2 132 5.014 4.930 6.667 -0.1981 0.8625 1.1392 2DOPE HN3 133 4.929 4.929 6.812 -1.1346 0.1599 0.3163 2DOPE C12 134 4.931 5.120 6.713 -0.0965 0.3208 -0.4495 2DOPE H12A 135 5.030 5.167 6.730 0.7642 -1.2727 -0.8764 2DOPE H12B 136 4.862 5.160 6.791 -0.3210 1.8530 -1.3874 2DOPE C11 137 4.893 5.174 6.575 0.3884 0.3434 -0.5758 2DOPE H11A 138 4.955 5.118 6.502 1.5725 -0.8644 1.2724 2DOPE H11B 139 4.919 5.282 6.571 -0.4555 0.5126 -2.4424 2DOPE P 140 4.672 5.294 6.533 -0.0476 -0.3012 -0.1111 2DOPE O13 141 4.708 5.365 6.658 0.0973 -0.2390 -0.1879 2DOPE O14 142 4.530 5.259 6.515 -0.1489 0.0007 0.0868 2DOPE O11 143 4.726 5.367 6.400 -0.3439 0.0361 -0.0484 2DOPE O12 144 4.756 5.158 6.538 0.3080 -0.0839 -0.1035 2DOPE C1 145 4.733 5.301 6.273 0.0978 0.5106 -0.2692 2DOPE HA 146 4.640 5.317 6.215 0.0521 -1.4907 -0.8138 2DOPE HB 147 4.744 5.192 6.286 -0.8072 0.4491 0.0375 2DOPE C2 148 4.856 5.349 6.193 0.2833 0.3710 -0.0683 2DOPE HS 149 4.941 5.360 6.264 -1.1199 -0.0590 1.7779 2DOPE O21 150 4.823 5.479 6.144 -0.0052 0.4883 0.4264 2DOPE C21 151 4.925 5.538 6.082 0.0373 0.2245 0.2485 2DOPE O22 152 5.043 5.508 6.097 -0.2056 -0.4221 0.9651 2DOPE C22 153 4.882 5.665 6.010 0.0883 0.1273 0.0455 2DOPE H2R 154 4.915 5.759 6.059 0.5116 -0.3151 0.6183 2DOPE H2S 155 4.771 5.661 5.999 0.0993 1.2969 -0.5807 2DOPE C3 156 4.890 5.251 6.080 -0.0765 -0.0121 0.1524 2DOPE HX 157 4.913 5.159 6.138 -0.6404 0.2123 0.7382 2DOPE HY 158 4.984 5.284 6.031 0.1305 0.5754 0.9266 2DOPE O31 159 4.779 5.233 5.992 -0.3994 -0.2498 0.6047 2DOPE C31 160 4.803 5.124 5.918 0.0462 0.4603 -0.3088 2DOPE O32 161 4.907 5.061 5.915 -0.1701 0.1102 -0.5724 2DOPE C32 162 4.680 5.091 5.834 -0.0254 -0.4666 0.1557 2DOPE H2X 163 4.640 4.996 5.876 0.5902 -0.4630 0.7808 2DOPE H2Y 164 4.600 5.168 5.838 -0.4214 -0.9168 1.5102 2DOPE C23 165 4.945 5.661 5.871 0.1657 0.2674 0.0763 2DOPE H3R 166 4.947 5.555 5.838 -0.6502 0.6285 -1.2111 2DOPE H3S 167 5.052 5.685 5.885 0.1196 0.7706 -0.3921 2DOPE C24 168 4.897 5.766 5.771 0.0296 -0.2129 -0.3702 2DOPE H4R 169 4.799 5.751 5.722 -0.2554 -1.1501 0.4656 2DOPE H4S 170 4.974 5.779 5.692 0.6199 0.9603 0.3720 2DOPE C25 171 4.892 5.905 5.834 -0.1737 -0.1779 -0.4633 2DOPE H5R 172 4.997 5.940 5.838 0.0680 -0.9921 1.4447 2DOPE H5S 173 4.830 5.914 5.927 -0.0578 -0.3899 -0.3639 2DOPE C26 174 4.828 6.003 5.735 0.0957 0.0513 -0.4140 2DOPE H6R 175 4.726 5.964 5.717 0.0028 1.0702 -2.3457 2DOPE H6S 176 4.895 6.012 5.647 0.9917 5.4283 0.5189 2DOPE C27 177 4.811 6.138 5.803 -0.0604 -0.2690 0.1868 2DOPE H7R 178 4.910 6.189 5.810 0.0042 -0.5959 4.7356 2DOPE H7S 179 4.783 6.130 5.911 1.8932 -1.7937 0.6297 2DOPE C28 180 4.712 6.227 5.727 0.4651 0.3013 0.1577 2DOPE H8R 181 4.689 6.321 5.781 0.2768 1.0502 -1.1822 2DOPE H8S 182 4.614 6.175 5.724 0.4035 0.3580 0.8844 2DOPE C29 183 4.747 6.261 5.585 0.0611 0.6975 0.1524 2DOPE H9R 184 4.843 6.311 5.565 1.4411 -1.3332 1.3354 2DOPE C210 185 4.681 6.222 5.476 -0.0077 0.3539 0.3153 2DOPE H10R 186 4.587 6.169 5.498 0.4486 -2.2456 -3.1064 2DOPE C211 187 4.714 6.240 5.330 -0.6176 -0.4449 0.0659 2DOPE H11R 188 4.813 6.291 5.323 0.1995 -1.6958 1.7216 2DOPE H11S 189 4.649 6.308 5.271 1.9340 2.2552 0.1239 2DOPE C212 190 4.722 6.104 5.262 -0.1237 -0.0280 -0.7282 2DOPE H12R 191 4.622 6.056 5.253 0.2390 -0.8762 -0.4180 2DOPE H12S 192 4.795 6.042 5.319 -0.5820 1.1287 1.2179 2DOPE C213 193 4.764 6.112 5.115 0.1990 0.4339 -0.6115 2DOPE H13R 194 4.811 6.014 5.092 -1.1109 -0.3675 -0.0037 2DOPE H13S 195 4.841 6.191 5.100 -0.7764 2.0207 2.0549 2DOPE C214 196 4.644 6.139 5.024 -0.3899 -0.1840 -0.0277 2DOPE H14R 197 4.590 6.225 5.069 -0.6546 -0.1703 -0.3624 2DOPE H14S 198 4.575 6.052 5.021 -1.2967 0.5236 -0.1690 2DOPE C215 199 4.699 6.178 4.887 0.0458 -0.1189 0.1625 2DOPE H15R 200 4.771 6.098 4.860 -0.2358 -0.3417 0.0590 2DOPE H15S 201 4.759 6.271 4.891 0.7946 -0.4473 -1.9190 2DOPE C216 202 4.596 6.192 4.774 0.3447 0.3964 -0.0488 2DOPE H16R 203 4.642 6.226 4.679 0.1308 0.7726 -0.0209 2DOPE H16S 204 4.520 6.269 4.802 -0.0530 0.2284 -0.6429 2DOPE C217 205 4.520 6.068 4.726 0.1804 0.5147 -0.0984 2DOPE H17R 206 4.486 6.006 4.811 0.5654 -0.1344 -0.4123 2DOPE H17S 207 4.594 6.017 4.660 -0.1200 0.5501 -0.4653 2DOPE C218 208 4.402 6.100 4.634 -0.1196 0.0811 0.1327 2DOPE H18R 209 4.397 6.032 4.547 2.1731 -1.9376 1.4321 2DOPE H18S 210 4.425 6.194 4.579 -0.0005 0.1436 0.2877 2DOPE H18T 211 4.304 6.109 4.685 -0.9967 0.4359 -1.5620 2DOPE C33 212 4.731 5.048 5.696 -0.1854 0.0826 -0.0744 2DOPE H3X 213 4.789 5.133 5.655 1.2067 -0.3872 0.8544 2DOPE H3Y 214 4.793 4.956 5.698 0.2593 0.3494 -1.0922 2DOPE C34 215 4.614 5.022 5.601 -0.1897 -0.1595 -0.0036 2DOPE H4X 216 4.571 4.929 5.644 0.1361 -0.4438 -0.2867 2DOPE H4Y 217 4.544 5.108 5.604 -1.1265 -0.9435 2.3346 2DOPE C35 218 4.659 5.007 5.455 -0.0355 0.5054 -0.0297 2DOPE H5X 219 4.721 5.097 5.437 1.1461 -0.2262 0.2518 2DOPE H5Y 220 4.571 5.003 5.388 0.1236 -0.1090 -0.2045 2DOPE C36 221 4.744 4.883 5.426 -0.1366 0.3799 0.2054 2DOPE H6X 222 4.833 4.893 5.492 0.7535 1.0652 -1.0397 2DOPE H6Y 223 4.692 4.789 5.454 2.3837 -1.0874 0.3405 2DOPE C37 224 4.793 4.887 5.281 0.1349 0.2987 0.2944 2DOPE H7X 225 4.714 4.861 5.208 -0.2077 1.1955 0.3317 2DOPE H7Y 226 4.832 4.988 5.254 -0.2911 0.5130 0.4707 2DOPE C38 227 4.904 4.782 5.268 -0.0762 0.0680 0.3371 2DOPE H8X 228 4.927 4.778 5.159 2.1260 -2.0999 0.8101 2DOPE H8Y 229 4.995 4.820 5.319 1.1161 -0.4083 -1.3469 2DOPE C39 230 4.881 4.645 5.323 0.1504 -0.2301 -0.3000 2DOPE H9X 231 4.899 4.626 5.430 -2.8354 -0.8605 0.1823 2DOPE C310 232 4.851 4.536 5.250 -0.1934 -0.4473 0.1590 2DOPE H10X 233 4.837 4.443 5.307 -0.4684 -0.5167 -0.0197 2DOPE C311 234 4.821 4.522 5.104 0.2841 0.1334 0.0035 2DOPE H11X 235 4.828 4.624 5.061 2.6874 0.7260 1.6005 2DOPE H11Y 236 4.719 4.479 5.099 1.5726 -3.7720 2.8386 2DOPE C312 237 4.918 4.433 5.026 -0.4802 -0.1062 -0.6909 2DOPE H12X 238 4.903 4.329 5.063 1.9466 -0.7489 -1.3181 2DOPE H12Y 239 5.023 4.460 5.051 -0.7927 1.1679 -0.7083 2DOPE C313 240 4.882 4.429 4.878 0.2352 -0.0478 -0.8704 2DOPE H13X 241 4.777 4.461 4.863 -0.1674 -0.6596 0.5582 2DOPE H13Y 242 4.945 4.506 4.830 -1.2567 1.4226 -0.5637 2DOPE C314 243 4.890 4.286 4.823 -0.2124 -0.5236 0.2814 2DOPE H14X 244 4.990 4.238 4.833 -0.3728 -1.1334 -0.8594 2DOPE H14Y 245 4.820 4.221 4.879 -0.4577 -1.1030 -0.6752 2DOPE C315 246 4.840 4.273 4.679 -0.0083 0.2945 0.1303 2DOPE H15X 247 4.746 4.331 4.668 0.1382 0.3210 -1.0742 2DOPE H15Y 248 4.903 4.325 4.603 1.8215 0.6384 1.7966 2DOPE C316 249 4.792 4.134 4.637 -0.0670 0.4775 -0.4155 2DOPE H16X 250 4.862 4.066 4.691 -0.2200 0.0747 -0.7146 2DOPE H16Y 251 4.793 4.111 4.528 0.1011 -1.4365 -0.0471 2DOPE C317 252 4.647 4.113 4.683 -0.0984 0.1637 -0.6513 2DOPE H17X 253 4.634 4.130 4.792 0.8901 0.3562 -0.5525 2DOPE H17Y 254 4.598 4.197 4.628 0.1805 1.5743 1.1612 2DOPE C318 255 4.588 3.978 4.645 0.1112 -0.1322 0.0622 2DOPE H18X 256 4.661 3.906 4.687 -0.9675 -2.0038 -1.1015 2DOPE H18Y 257 4.485 3.961 4.684 -0.2026 1.4533 -0.0301 2DOPE H18Z 258 4.601 3.953 4.537 -0.7619 -2.0467 0.3526 3DOPE N 259 3.831 5.166 6.696 -0.3195 -0.6153 0.0129 3DOPE HN1 260 3.905 5.097 6.668 -0.1040 0.3965 -2.1329 3DOPE HN2 261 3.756 5.122 6.753 1.6432 -1.6365 2.0049 3DOPE HN3 262 3.798 5.202 6.604 -0.5542 -1.0308 -0.0689 3DOPE C12 263 3.885 5.283 6.774 -1.0492 -0.1215 -0.2164 3DOPE H12A 264 3.933 5.247 6.868 -1.4082 -1.4777 -0.5395 3DOPE H12B 265 3.801 5.352 6.796 0.4780 1.4014 1.1919 3DOPE C11 266 3.980 5.369 6.690 -0.1337 -0.8809 0.0218 3DOPE H11A 267 4.082 5.325 6.698 -0.4231 -1.1972 3.7975 3DOPE H11B 268 3.980 5.471 6.733 -1.4876 0.5559 -3.0735 3DOPE P 269 4.029 5.461 6.451 0.2722 0.0317 0.0384 3DOPE O13 270 3.992 5.604 6.446 -0.0018 -0.0491 -0.2308 3DOPE O14 271 4.171 5.445 6.492 0.1861 0.1155 0.3713 3DOPE O11 272 3.993 5.380 6.318 0.0948 0.3217 -0.0910 3DOPE O12 273 3.938 5.378 6.553 0.3245 -0.1662 -0.0732 3DOPE C1 274 3.990 5.237 6.330 0.1229 0.3082 -0.2474 3DOPE HA 275 3.898 5.202 6.381 -0.3744 -1.5308 -2.2535 3DOPE HB 276 4.074 5.195 6.389 -0.7875 0.1287 0.9574 3DOPE C2 277 3.993 5.177 6.188 0.0572 -0.4686 0.0784 3DOPE HS 278 4.026 5.071 6.196 -0.1914 -0.5278 0.3277 3DOPE O21 279 4.074 5.251 6.097 -0.2972 -0.2327 -0.0445 3DOPE C21 280 4.206 5.248 6.115 -0.2997 0.5679 0.1396 3DOPE O22 281 4.261 5.176 6.196 -0.2884 0.5406 0.1078 3DOPE C22 282 4.274 5.363 6.041 0.3187 0.4950 0.5827 3DOPE H2R 283 4.344 5.413 6.110 -0.9035 -0.2872 2.4631 3DOPE H2S 284 4.201 5.444 6.021 -0.2400 -0.3623 -1.0489 3DOPE C3 285 3.858 5.172 6.115 0.3515 0.8724 -0.5784 3DOPE HX 286 3.826 5.276 6.095 0.1616 0.9062 -0.1040 3DOPE HY 287 3.788 5.122 6.185 1.7862 -2.3770 -1.2508 3DOPE O31 288 3.866 5.101 5.991 -0.0758 -0.0293 -0.0955 3DOPE C31 289 3.752 5.042 5.953 -0.1696 -0.0161 0.1651 3DOPE O32 290 3.648 5.037 6.017 0.1549 0.5398 0.7485 3DOPE C32 291 3.770 4.981 5.815 0.2505 -0.1695 0.2855 3DOPE H2X 292 3.784 5.063 5.742 -2.3367 0.5430 0.4840 3DOPE H2Y 293 3.857 4.913 5.815 2.4389 2.3497 3.1718 3DOPE C23 294 4.349 5.314 5.917 0.3000 0.0236 0.7543 3DOPE H3R 295 4.270 5.290 5.842 -1.3681 3.2517 1.3145 3DOPE H3S 296 4.401 5.220 5.945 -0.0322 -0.4055 -0.0368 3DOPE C24 297 4.443 5.425 5.869 -0.2795 0.2131 0.0368 3DOPE H4R 298 4.533 5.418 5.934 -0.7904 -2.5844 0.5603 3DOPE H4S 299 4.404 5.526 5.890 1.4845 0.7877 0.7479 3DOPE C25 300 4.476 5.413 5.720 -0.1359 -0.1738 0.0979 3DOPE H5R 301 4.398 5.468 5.663 1.8823 0.1560 -2.5484 3DOPE H5S 302 4.469 5.306 5.692 0.3298 -0.3002 0.4486 3DOPE C26 303 4.617 5.467 5.695 -0.4368 0.5921 0.0111 3DOPE H6R 304 4.694 5.419 5.759 -1.2549 -1.0592 -0.1918 3DOPE H6S 305 4.624 5.576 5.711 -0.5264 0.7254 -0.7880 3DOPE C27 306 4.652 5.432 5.550 -0.2070 -0.0653 0.2176 3DOPE H7R 307 4.569 5.459 5.481 0.7793 1.1495 -0.5392 3DOPE H7S 308 4.660 5.322 5.546 -0.6266 -0.1085 0.5606 3DOPE C28 309 4.784 5.491 5.499 -0.3658 -0.0745 -0.2058 3DOPE H8R 310 4.865 5.446 5.559 0.7340 0.7575 -1.0223 3DOPE H8S 311 4.772 5.601 5.508 -0.6780 -0.1072 -0.2020 3DOPE C29 312 4.801 5.458 5.353 -0.0622 0.2563 -0.2452 3DOPE H9R 313 4.802 5.355 5.315 -0.1930 0.9651 -2.3060 3DOPE C210 314 4.829 5.547 5.256 -0.5117 0.0284 -0.5883 3DOPE H10R 315 4.844 5.518 5.151 2.2715 0.3413 -0.3545 3DOPE C211 316 4.827 5.697 5.261 0.0284 0.0264 -0.1400 3DOPE H11R 317 4.764 5.726 5.348 0.5509 1.6784 -0.2760 3DOPE H11S 318 4.782 5.745 5.171 0.3467 -2.9962 -2.0599 3DOPE C212 319 4.968 5.755 5.267 0.0229 0.0073 0.1732 3DOPE H12R 320 5.015 5.721 5.362 -0.5405 0.3086 0.5693 3DOPE H12S 321 4.967 5.865 5.277 -0.2675 0.1389 -1.1405 3DOPE C213 322 5.065 5.726 5.153 -0.0972 -0.2660 0.1411 3DOPE H13R 323 5.144 5.803 5.167 -0.5988 0.4145 -0.6585 3DOPE H13S 324 5.014 5.771 5.065 -1.4862 1.7094 1.8657 3DOPE C214 325 5.129 5.587 5.143 0.1645 -0.1258 -0.1739 3DOPE H14R 326 5.046 5.518 5.115 -2.1366 1.3187 2.5554 3DOPE H14S 327 5.160 5.565 5.248 -0.3704 -0.0666 0.0013 3DOPE C215 328 5.249 5.576 5.050 0.4421 0.0586 0.1589 3DOPE H15R 329 5.289 5.472 5.054 1.9152 0.6258 0.6683 3DOPE H15S 330 5.320 5.639 5.108 0.2196 0.5001 -0.0446 3DOPE C216 331 5.227 5.608 4.902 0.0824 -0.5907 0.0667 3DOPE H16R 332 5.166 5.701 4.898 2.0093 0.8196 1.3168 3DOPE H16S 333 5.166 5.523 4.864 -0.2425 -0.8345 1.1046 3DOPE C217 334 5.360 5.632 4.831 0.0084 -0.4418 -0.0228 3DOPE H17R 335 5.397 5.733 4.858 0.7732 -0.7436 0.0887 3DOPE H17S 336 5.344 5.632 4.721 -0.9552 -3.3453 0.0155 3DOPE C218 337 5.459 5.522 4.873 0.6764 0.2517 0.2429 3DOPE H18R 338 5.498 5.521 4.977 0.1863 -3.1011 0.4881 3DOPE H18S 339 5.538 5.534 4.796 0.6055 0.1147 0.1476 3DOPE H18T 340 5.409 5.423 4.864 -0.0816 0.6386 0.0695 3DOPE C33 341 3.643 4.903 5.780 -0.1388 0.5441 0.0950 3DOPE H3X 342 3.547 4.959 5.787 -0.6342 0.0632 -1.9438 3DOPE H3Y 343 3.627 4.819 5.850 -1.8824 1.1058 0.4108 3DOPE C34 344 3.646 4.839 5.641 -0.0840 0.1784 0.2651 3DOPE H4X 345 3.555 4.776 5.628 1.3643 -1.9455 -0.0923 3DOPE H4Y 346 3.735 4.773 5.640 0.3145 0.7143 0.0835 3DOPE C35 347 3.653 4.945 5.531 -0.3004 0.3103 0.3772 3DOPE H5X 348 3.634 4.894 5.434 2.3160 -2.8696 1.3336 3DOPE H5Y 349 3.754 4.991 5.527 -0.1286 -0.0703 0.3330 3DOPE C36 350 3.557 5.064 5.547 -0.3347 0.2775 0.4209 3DOPE H6X 351 3.578 5.119 5.641 0.5513 -0.3643 0.6167 3DOPE H6Y 352 3.452 5.031 5.557 0.3114 -1.7073 1.2461 3DOPE C37 353 3.569 5.150 5.421 -0.0551 0.2467 0.4260 3DOPE H7X 354 3.531 5.252 5.443 2.2108 2.0818 -3.1605 3DOPE H7Y 355 3.674 5.165 5.387 0.1582 -0.9326 0.5317 3DOPE C38 356 3.489 5.098 5.302 0.1868 0.0426 0.3498 3DOPE H8X 357 3.543 5.005 5.277 -0.8845 -0.6202 0.4594 3DOPE H8Y 358 3.496 5.162 5.212 2.4712 -0.6431 -0.0194 3DOPE C39 359 3.342 5.083 5.330 0.1512 0.3135 0.3166 3DOPE H9X 360 3.282 5.174 5.348 1.5898 1.2110 0.7328 3DOPE C310 361 3.274 4.968 5.336 0.3405 0.1729 -0.2289 3DOPE H10X 362 3.164 4.977 5.339 0.3861 0.3946 1.0896 3DOPE C311 363 3.330 4.830 5.314 0.1061 0.0374 0.0110 3DOPE H11X 364 3.437 4.823 5.343 0.0923 0.4900 0.1807 3DOPE H11Y 365 3.280 4.763 5.387 -0.9979 -1.8248 -2.3221 3DOPE C312 366 3.313 4.769 5.175 -1.0585 -0.1866 0.2448 3DOPE H12X 367 3.205 4.760 5.148 -1.1138 0.0604 0.3838 3DOPE H12Y 368 3.351 4.665 5.181 -1.9673 -0.4515 2.4469 3DOPE C313 369 3.399 4.837 5.069 -0.2102 -0.8134 0.5214 3DOPE H13X 370 3.496 4.863 5.117 1.8314 -3.4153 -1.8209 3DOPE H13Y 371 3.349 4.932 5.041 -1.6515 -1.6530 0.1535 3DOPE C314 372 3.439 4.754 4.946 -0.4036 -0.0130 -0.0947 3DOPE H14X 373 3.497 4.665 4.980 1.5538 1.2951 0.1432 3DOPE H14Y 374 3.503 4.814 4.879 -0.5603 1.3530 0.9152 3DOPE C315 375 3.320 4.704 4.864 -0.2495 -0.3108 -0.1359 3DOPE H15X 376 3.262 4.638 4.933 0.0384 0.3483 0.7534 3DOPE H15Y 377 3.258 4.794 4.845 0.7725 0.6270 0.8202 3DOPE C316 378 3.352 4.627 4.736 -0.3451 -0.8338 0.1490 3DOPE H16X 379 3.400 4.530 4.761 -0.4163 -0.8391 0.2634 3DOPE H16Y 380 3.413 4.695 4.671 -0.4357 -0.8199 0.0789 3DOPE C317 381 3.232 4.586 4.650 -0.0752 -0.4330 -0.4282 3DOPE H17X 382 3.181 4.685 4.643 0.4329 -0.0449 1.0397 3DOPE H17Y 383 3.167 4.517 4.708 -0.7234 0.8240 0.4116 3DOPE C318 384 3.273 4.533 4.513 0.2069 0.0072 -0.5179 3DOPE H18X 385 3.180 4.526 4.452 0.0691 -0.1183 -0.2943 3DOPE H18Y 386 3.331 4.612 4.461 -0.5464 2.3901 2.0196 3DOPE H18Z 387 3.317 4.431 4.514 -1.7473 -0.9108 -1.4374 4DOPE N 388 5.871 5.093 6.613 -0.1274 0.1745 0.3033 4DOPE HN1 389 5.847 5.181 6.562 0.5238 -1.6757 -3.5177 4DOPE HN2 390 5.969 5.105 6.645 0.6052 -2.5410 -0.6773 4DOPE HN3 391 5.871 5.007 6.555 1.0668 0.2807 0.1209 4DOPE C12 392 5.772 5.077 6.726 -0.3205 -0.6609 0.0237 4DOPE H12A 393 5.766 5.177 6.775 1.3819 -0.3235 -0.3837 4DOPE H12B 394 5.817 5.009 6.802 2.1004 -0.0227 -0.7464 4DOPE C11 395 5.636 5.024 6.680 -0.3648 -0.5480 0.0248 4DOPE H11A 396 5.560 5.038 6.760 -2.3249 -3.2972 -1.1908 4DOPE H11B 397 5.634 4.917 6.653 0.3856 -0.0599 -2.1450 4DOPE P 398 5.441 5.060 6.518 -0.2018 0.0374 0.2234 4DOPE O13 399 5.382 5.187 6.470 0.2453 0.1924 0.0702 4DOPE O14 400 5.372 4.987 6.626 -0.3151 0.3156 0.3394 4DOPE O11 401 5.455 4.961 6.393 -0.1775 -0.0581 0.3017 4DOPE O12 402 5.590 5.095 6.565 -0.1003 -0.2345 0.1112 4DOPE C1 403 5.567 4.963 6.304 -0.1576 -0.6210 0.3110 4DOPE HA 404 5.575 4.861 6.262 -0.7424 -0.1495 -0.9719 4DOPE HB 405 5.666 4.977 6.354 -0.5914 -1.1271 1.3570 4DOPE C2 406 5.573 5.078 6.202 0.1827 -0.5972 0.3569 4DOPE HS 407 5.599 5.166 6.264 -0.1887 -1.1810 1.3723 4DOPE O21 408 5.441 5.085 6.147 0.2370 0.0126 0.3025 4DOPE C21 409 5.417 5.197 6.079 0.2188 0.0716 0.4055 4DOPE O22 410 5.495 5.288 6.055 0.1031 0.1700 0.4021 4DOPE C22 411 5.283 5.200 6.007 0.3246 -0.1553 0.1960 4DOPE H2R 412 5.239 5.300 6.030 1.0903 0.0630 0.7713 4DOPE H2S 413 5.224 5.123 6.061 1.2501 -0.2696 1.0885 4DOPE C3 414 5.679 5.052 6.094 -0.0061 0.2052 -0.0278 4DOPE HX 415 5.780 5.035 6.137 0.6199 -1.2432 -1.8980 4DOPE HY 416 5.694 5.149 6.042 -0.0395 -0.6942 -1.7849 4DOPE O31 417 5.645 4.955 5.994 0.3906 -0.2465 0.2669 4DOPE C31 418 5.749 4.898 5.933 0.4435 0.1123 0.0175 4DOPE O32 419 5.865 4.926 5.956 0.3644 0.2838 0.2162 4DOPE C32 420 5.704 4.816 5.813 0.2532 0.7659 -0.3672 4DOPE H2X 421 5.604 4.769 5.818 0.1275 1.1211 0.8376 4DOPE H2Y 422 5.685 4.889 5.732 -0.4542 0.1246 -0.7926 4DOPE C23 423 5.286 5.161 5.859 -0.1291 0.2230 0.0841 4DOPE H3R 424 5.355 5.233 5.809 -0.8494 1.7901 1.2510 4DOPE H3S 425 5.182 5.178 5.824 -0.0263 -2.0159 -1.4854 4DOPE C24 426 5.322 5.015 5.831 -0.1507 0.3141 -0.4117 4DOPE H4R 427 5.292 4.946 5.912 0.0945 1.2437 0.4878 4DOPE H4S 428 5.433 5.017 5.831 -0.1567 1.6434 0.0195 4DOPE C25 429 5.266 4.979 5.693 0.0400 -0.1178 -0.3758 4DOPE H5R 430 5.297 5.057 5.621 1.0604 -0.1764 -0.0141 4DOPE H5S 431 5.155 4.987 5.698 -0.0175 -0.4107 -1.1124 4DOPE C26 432 5.320 4.849 5.632 0.1452 0.0200 -0.5744 4DOPE H6R 433 5.430 4.856 5.618 0.2807 2.9439 0.9917 4DOPE H6S 434 5.281 4.842 5.528 0.3276 1.0210 -0.7303 4DOPE C27 435 5.256 4.732 5.705 -0.0118 0.2076 -0.4108 4DOPE H7R 436 5.147 4.755 5.699 -0.5833 -2.1032 -0.0080 4DOPE H7S 437 5.285 4.717 5.812 -1.4285 1.1284 0.1358 4DOPE C28 438 5.281 4.605 5.623 -0.3528 -0.0354 -0.1438 4DOPE H8R 439 5.269 4.514 5.686 -0.0904 -0.5388 -0.8115 4DOPE H8S 440 5.389 4.613 5.599 -0.4511 -0.5740 -0.8048 4DOPE C29 441 5.189 4.601 5.504 -0.5746 0.8195 -0.0101 4DOPE H9R 442 5.080 4.600 5.522 -0.8665 1.2019 -1.6070 4DOPE C210 443 5.217 4.604 5.373 -0.1003 -0.0506 0.0623 4DOPE H10R 444 5.130 4.600 5.305 1.8488 2.5516 -2.8777 4DOPE C211 445 5.350 4.599 5.303 -0.1917 -0.1140 -0.1048 4DOPE H11R 446 5.357 4.505 5.243 -1.5916 1.3104 -2.6834 4DOPE H11S 447 5.433 4.602 5.376 -0.0354 3.8889 -0.2452 4DOPE C212 448 5.383 4.716 5.211 0.1942 -0.0124 0.1618 4DOPE H12R 449 5.493 4.726 5.206 0.0575 2.4959 0.9050 4DOPE H12S 450 5.346 4.805 5.267 -0.5177 -0.1576 -0.0594 4DOPE C213 451 5.316 4.728 5.074 0.3867 0.2414 0.0876 4DOPE H13R 452 5.352 4.822 5.028 0.8981 0.2513 0.4986 4DOPE H13S 453 5.206 4.743 5.085 0.3271 1.3057 -1.6174 4DOPE C214 454 5.339 4.615 4.973 -0.4584 0.3152 -0.2010 4DOPE H14R 455 5.318 4.518 5.022 -0.2410 0.9830 1.2684 4DOPE H14S 456 5.447 4.617 4.947 -0.3765 0.3458 0.1365 4DOPE C215 457 5.254 4.637 4.848 -0.5837 -0.3219 -0.2324 4DOPE H15R 458 5.150 4.612 4.877 -0.0411 -3.0539 -0.3351 4DOPE H15S 459 5.258 4.742 4.812 0.3273 -0.5083 -0.7149 4DOPE C216 460 5.289 4.548 4.728 -0.1992 -0.9494 0.3405 4DOPE H16R 461 5.259 4.447 4.764 -0.0674 -1.1847 -0.1979 4DOPE H16S 462 5.395 4.551 4.694 -0.5219 -0.0008 -0.6287 4DOPE C217 463 5.189 4.580 4.616 0.4790 0.1892 0.0392 4DOPE H17R 464 5.086 4.585 4.657 0.0533 -2.4992 -0.5103 4DOPE H17S 465 5.193 4.484 4.559 1.8268 0.6671 -0.7250 4DOPE C218 466 5.221 4.698 4.525 0.1901 0.3995 0.2089 4DOPE H18R 467 5.167 4.693 4.428 1.7342 -0.9376 -0.6326 4DOPE H18S 468 5.331 4.694 4.508 0.1837 -1.7692 0.3202 4DOPE H18T 469 5.201 4.795 4.575 -2.3937 2.1957 -3.7615 4DOPE C33 470 5.805 4.705 5.783 -0.0959 0.4686 -0.4443 4DOPE H3X 471 5.817 4.630 5.864 1.2408 1.0745 -0.0523 4DOPE H3Y 472 5.909 4.736 5.758 1.2835 -1.9969 1.6675 4DOPE C34 473 5.785 4.619 5.658 0.5354 -0.3296 -0.0084 4DOPE H4X 474 5.872 4.550 5.664 0.7166 -0.1582 -0.5412 4DOPE H4Y 475 5.700 4.550 5.675 0.9532 -0.4281 1.7890 4DOPE C35 476 5.781 4.707 5.533 0.2759 -0.2528 0.0538 4DOPE H5X 477 5.869 4.773 5.519 -0.5661 0.6521 -1.3637 4DOPE H5Y 478 5.696 4.779 5.534 0.5940 0.1261 -0.0181 4DOPE C36 479 5.757 4.637 5.399 -0.1164 -0.4123 0.2054 4DOPE H6X 480 5.677 4.562 5.416 -0.5680 0.0832 0.2598 4DOPE H6Y 481 5.723 4.718 5.332 0.9420 0.4117 0.6387 4DOPE C37 482 5.880 4.568 5.339 -0.2458 -0.2003 -0.3033 4DOPE H7X 483 5.961 4.638 5.369 -1.5636 1.4738 -0.4730 4DOPE H7Y 484 5.893 4.472 5.392 -1.9639 0.8018 2.1250 4DOPE C38 485 5.884 4.553 5.187 0.1342 0.5193 -0.3693 4DOPE H8X 486 5.894 4.655 5.143 -1.0740 0.1852 -1.4852 4DOPE H8Y 487 5.974 4.500 5.149 -0.2914 0.8302 -1.8718 4DOPE C39 488 5.764 4.478 5.136 -0.0744 0.1869 0.5890 4DOPE H9X 489 5.722 4.398 5.198 -2.0693 0.0862 -0.7871 4DOPE C310 490 5.699 4.510 5.023 0.8766 -0.1225 -0.0575 4DOPE H10X 491 5.612 4.452 4.989 -0.7841 2.8591 -1.2745 4DOPE C311 492 5.732 4.618 4.924 0.0216 0.1672 -0.0271 4DOPE H11X 493 5.664 4.703 4.949 -1.4717 -1.6267 2.5196 4DOPE H11Y 494 5.842 4.630 4.930 -0.0374 1.3435 -0.9622 4DOPE C312 495 5.703 4.564 4.783 -0.4456 -0.1895 0.1998 4DOPE H12X 496 5.799 4.518 4.751 -1.6848 -1.4061 -2.0386 4DOPE H12Y 497 5.620 4.490 4.780 -0.5875 -0.0065 -1.4580 4DOPE C313 498 5.657 4.682 4.698 0.2354 -0.0540 0.0144 4DOPE H13X 499 5.613 4.638 4.607 -0.0753 1.6918 -0.7229 4DOPE H13Y 500 5.580 4.745 4.747 0.2184 -0.2688 0.2627 4DOPE C314 501 5.771 4.776 4.658 -0.0668 0.1644 -0.3416 4DOPE H14X 502 5.729 4.861 4.600 -0.7703 0.2426 0.2783 4DOPE H14Y 503 5.804 4.829 4.750 0.2033 -1.8256 0.7555 4DOPE C315 504 5.884 4.710 4.579 -0.0768 -0.2937 0.0266 4DOPE H15X 505 5.848 4.642 4.498 0.0559 0.5100 -0.7226 4DOPE H15Y 506 5.941 4.644 4.648 0.0303 0.9950 1.2117 4DOPE C316 507 5.978 4.808 4.509 -0.8082 -0.0708 -0.6515 4DOPE H16X 508 5.914 4.881 4.454 -0.6918 1.5409 1.2290 4DOPE H16Y 509 6.045 4.860 4.580 -1.5777 1.1235 -0.7694 4DOPE C317 510 6.070 4.743 4.405 0.1036 -0.2800 0.2707 4DOPE H17X 511 6.132 4.815 4.347 0.3009 -0.5602 0.1337 4DOPE H17Y 512 6.132 4.675 4.467 1.1610 1.2828 0.9990 4DOPE C318 513 5.994 4.659 4.303 -0.0417 -0.5159 0.5713 4DOPE H18X 514 6.050 4.655 4.207 1.2688 0.4865 1.2625 4DOPE H18Y 515 5.892 4.702 4.298 0.0338 -0.4674 -0.8958 4DOPE H18Z 516 5.979 4.553 4.334 0.7213 -0.4968 1.0397 5DOPE N 517 5.851 0.283 6.495 0.1187 0.1276 -0.4540 5DOPE HN1 518 5.901 0.192 6.491 1.5483 0.7497 1.5440 5DOPE HN2 519 5.765 0.268 6.438 0.1765 1.2931 -0.8836 5DOPE HN3 520 5.905 0.360 6.451 -2.3172 1.2216 -1.7654 5DOPE C12 521 5.817 0.303 6.640 0.1281 -0.5718 -0.3521 5DOPE H12A 522 5.782 0.205 6.677 0.8153 -0.8061 -0.3104 5DOPE H12B 523 5.731 0.374 6.632 1.3589 0.8945 -1.2532 5DOPE C11 524 5.940 0.358 6.714 -0.2828 0.4043 -0.3814 5DOPE H11A 525 6.012 0.274 6.716 -0.4755 0.2471 1.9577 5DOPE H11B 526 5.921 0.376 6.822 1.4932 -1.4405 0.3018 5DOPE P 527 6.087 0.559 6.721 0.2490 -0.0178 0.1747 5DOPE O13 528 6.187 0.470 6.785 0.1721 0.1335 0.5065 5DOPE O14 529 6.018 0.652 6.812 0.5681 0.5830 -0.1882 5DOPE O11 530 6.158 0.649 6.609 -0.0818 -0.2786 -0.2441 5DOPE O12 531 5.979 0.474 6.639 0.0437 0.4860 -0.0842 5DOPE C1 532 6.083 0.750 6.541 0.4968 0.1058 -0.3113 5DOPE HA 533 6.156 0.821 6.496 -1.5562 2.0167 -0.7977 5DOPE HB 534 6.020 0.803 6.615 0.3674 -0.6232 0.1081 5DOPE C2 535 5.995 0.704 6.424 -0.3422 0.1741 0.2849 5DOPE HS 536 5.925 0.627 6.463 0.7929 -0.8096 0.4425 5DOPE O21 537 6.079 0.635 6.331 -0.2822 -0.0574 0.5082 5DOPE C21 538 6.036 0.517 6.287 0.0808 -0.0878 0.2255 5DOPE O22 539 5.929 0.464 6.315 0.1985 -0.1636 0.5343 5DOPE C22 540 6.144 0.456 6.198 -0.0166 0.2261 -0.1138 5DOPE H2R 541 6.201 0.380 6.256 -0.7014 -0.2364 -0.0328 5DOPE H2S 542 6.218 0.531 6.164 -1.3556 0.7085 -2.1280 5DOPE C3 543 5.918 0.817 6.354 0.4151 0.5231 0.0054 5DOPE HX 544 5.996 0.896 6.347 0.7282 0.2568 0.4669 5DOPE HY 545 5.834 0.851 6.419 -2.1834 -2.3697 -1.5441 5DOPE O31 546 5.868 0.789 6.223 0.0346 0.2777 0.2014 5DOPE C31 547 5.748 0.732 6.221 -0.0868 0.5136 0.6555 5DOPE O32 548 5.674 0.711 6.316 -0.4666 0.1410 0.2835 5DOPE C32 549 5.730 0.673 6.082 -0.0304 0.0896 0.8248 5DOPE H2X 550 5.779 0.742 6.009 -0.3930 -1.1244 -0.6223 5DOPE H2Y 551 5.798 0.586 6.090 1.3747 1.2378 1.8935 5DOPE C23 552 6.080 0.402 6.070 -0.2717 0.3080 -0.0224 5DOPE H3R 553 6.046 0.487 6.008 0.2479 0.9323 0.5212 5DOPE H3S 554 5.991 0.340 6.091 1.0970 -2.4481 -1.7450 5DOPE C24 555 6.174 0.310 5.993 -0.3162 0.0225 0.2617 5DOPE H4R 556 6.111 0.229 5.949 0.2427 -0.7446 0.8362 5DOPE H4S 557 6.246 0.264 6.064 0.0393 0.0293 -0.0874 5DOPE C25 558 6.259 0.379 5.886 -0.0139 -0.6245 0.0730 5DOPE H5R 559 6.354 0.324 5.877 1.2077 1.1239 1.5958 5DOPE H5S 560 6.278 0.479 5.932 0.9781 -1.6800 2.0484 5DOPE C26 561 6.185 0.395 5.753 -0.6400 -0.4982 0.4303 5DOPE H6R 562 6.238 0.477 5.699 -0.2961 -0.8924 0.1561 5DOPE H6S 563 6.079 0.427 5.764 -1.2178 -2.0725 -0.2930 5DOPE C27 564 6.201 0.275 5.659 -0.1887 -0.1612 0.0731 5DOPE H7R 565 6.133 0.190 5.682 1.5384 -1.2513 1.4227 5DOPE H7S 566 6.296 0.222 5.682 -0.9320 -1.1196 0.9676 5DOPE C28 567 6.212 0.316 5.512 0.1628 -0.4645 0.0132 5DOPE H8R 568 6.259 0.232 5.457 -1.4714 -1.8599 0.6566 5DOPE H8S 569 6.288 0.397 5.501 -1.3520 0.9056 -0.6680 5DOPE C29 570 6.080 0.358 5.455 0.5366 -0.1943 -0.6716 5DOPE H9R 571 6.054 0.465 5.467 1.9355 0.3486 -2.2044 5DOPE C210 572 6.000 0.281 5.381 -0.2125 0.2540 -0.3469 5DOPE H10R 573 5.906 0.328 5.346 -0.8675 -0.5295 0.3201 5DOPE C211 574 6.029 0.139 5.341 0.4303 0.1886 0.3352 5DOPE H11R 575 5.930 0.089 5.331 -0.4665 1.9903 -0.1273 5DOPE H11S 576 6.087 0.077 5.412 2.1773 0.3901 -0.8647 5DOPE C212 577 6.099 0.133 5.205 -0.3321 0.0639 -0.0602 5DOPE H12R 578 6.200 0.176 5.217 0.0235 -0.8575 0.3376 5DOPE H12S 579 6.035 0.184 5.130 -1.1431 -2.3674 -1.1525 5DOPE C213 580 6.122 -0.008 5.150 0.4339 0.0438 0.2941 5DOPE H13R 581 6.032 -0.043 5.095 0.6803 -1.8265 0.9714 5DOPE H13S 582 6.143 -0.066 5.243 1.1159 -1.3538 -0.7071 5DOPE C214 583 6.248 -0.023 5.065 0.0096 -0.2153 -0.2991 5DOPE H14R 584 6.263 -0.128 5.033 -0.8076 -0.0671 -1.2228 5DOPE H14S 585 6.334 0.017 5.123 -0.9657 -0.2386 1.2209 5DOPE C215 586 6.233 0.045 4.929 -0.2303 -0.0464 -0.1896 5DOPE H15R 587 6.231 0.153 4.956 -0.0708 -0.1645 0.3058 5DOPE H15S 588 6.141 0.004 4.883 0.0920 0.5954 -1.4509 5DOPE C216 589 6.356 0.029 4.840 -0.0216 0.2184 0.0497 5DOPE H16R 590 6.362 -0.072 4.794 0.7163 0.9501 -1.5755 5DOPE H16S 591 6.450 0.038 4.898 0.5762 -0.2072 -0.8223 5DOPE C217 592 6.361 0.136 4.730 -0.0051 0.2490 0.0796 5DOPE H17R 593 6.450 0.113 4.666 -1.1212 0.6091 -1.6637 5DOPE H17S 594 6.385 0.240 4.759 -2.3105 0.8737 -0.0652 5DOPE C218 595 6.238 0.142 4.639 -0.0286 -0.0441 0.0903 5DOPE H18R 596 6.227 0.233 4.577 -1.0094 -1.1207 -1.3627 5DOPE H18S 597 6.150 0.150 4.706 0.2767 -0.0752 0.5010 5DOPE H18T 598 6.221 0.057 4.570 0.7893 -0.3990 0.3085 5DOPE C33 599 5.584 0.646 6.043 0.1525 0.2678 -0.0169 5DOPE H3X 600 5.524 0.720 6.101 0.1880 -0.3330 0.8122 5DOPE H3Y 601 5.544 0.547 6.074 0.3687 0.5582 1.2653 5DOPE C34 602 5.551 0.675 5.897 0.2003 0.0890 -0.0618 5DOPE H4X 603 5.443 0.666 5.873 0.1813 0.8955 -0.2834 5DOPE H4Y 604 5.597 0.774 5.878 2.6544 -1.0666 -0.6705 5DOPE C35 605 5.612 0.573 5.800 0.2088 0.0244 0.0111 5DOPE H5X 606 5.580 0.473 5.836 -0.4201 0.4982 0.8106 5DOPE H5Y 607 5.722 0.575 5.815 0.6550 5.2723 -1.9128 5DOPE C36 608 5.565 0.601 5.657 -0.0093 0.1744 0.1118 5DOPE H6X 609 5.458 0.632 5.660 -0.0313 0.0506 0.7772 5DOPE H6Y 610 5.634 0.672 5.608 -0.2893 -0.2804 -0.9800 5DOPE C37 611 5.594 0.474 5.576 -0.2293 0.2835 -0.1393 5DOPE H7X 612 5.703 0.451 5.574 -0.2885 0.0587 -1.2201 5DOPE H7Y 613 5.522 0.398 5.612 -1.4696 0.5660 -1.9324 5DOPE C38 614 5.559 0.501 5.430 0.0058 0.2905 -0.1936 5DOPE H8X 615 5.629 0.586 5.412 1.0806 -1.1000 -3.4368 5DOPE H8Y 616 5.593 0.416 5.367 -0.8208 -0.8314 0.8543 5DOPE C39 617 5.419 0.541 5.395 0.1131 0.5048 -0.3889 5DOPE H9X 618 5.355 0.576 5.477 0.1627 1.3621 -0.7141 5DOPE C310 619 5.370 0.538 5.270 -0.1372 0.3669 -0.2897 5DOPE H10X 620 5.273 0.583 5.247 0.9443 2.2056 -1.5534 5DOPE C311 621 5.450 0.492 5.151 0.3245 0.2927 0.0464 5DOPE H11X 622 5.557 0.473 5.173 0.3915 0.3496 -0.2297 5DOPE H11Y 623 5.396 0.400 5.120 1.5765 -0.3524 -0.2705 5DOPE C312 624 5.437 0.592 5.037 0.0979 -0.3847 -0.5269 5DOPE H12X 625 5.478 0.558 4.939 1.4913 1.7423 -0.7555 5DOPE H12Y 626 5.329 0.612 5.021 0.0266 -0.4429 -0.1169 5DOPE C313 627 5.506 0.725 5.067 0.1691 -0.3980 -0.6288 5DOPE H13X 628 5.487 0.758 5.171 1.5148 1.0303 -0.7926 5DOPE H13Y 629 5.609 0.688 5.047 0.2462 -0.8162 0.4656 5DOPE C314 630 5.469 0.836 4.968 0.0526 0.2785 0.1625 5DOPE H14X 631 5.369 0.880 4.990 -0.3866 0.5908 -2.2141 5DOPE H14Y 632 5.543 0.918 4.977 0.3081 0.0341 0.3165 5DOPE C315 633 5.467 0.776 4.827 0.1534 0.3127 0.1470 5DOPE H15X 634 5.390 0.697 4.812 0.8603 -0.3552 -0.0000 5DOPE H15Y 635 5.573 0.743 4.823 0.5721 0.8674 3.5060 5DOPE C316 636 5.421 0.877 4.721 -0.4202 -0.1223 -0.0220 5DOPE H16X 637 5.324 0.926 4.745 -0.1500 1.0722 -1.2483 5DOPE H16Y 638 5.492 0.961 4.737 -3.0617 1.9541 1.8487 5DOPE C317 639 5.409 0.830 4.576 0.3827 -0.2556 -0.0468 5DOPE H17X 640 5.331 0.754 4.557 0.8594 -0.7850 0.1074 5DOPE H17Y 641 5.507 0.781 4.554 0.2352 -0.4570 -0.2508 5DOPE C318 642 5.380 0.943 4.477 0.1997 -0.4819 -0.2531 5DOPE H18X 643 5.443 1.035 4.478 -0.5596 0.0535 -0.0259 5DOPE H18Y 644 5.393 0.907 4.373 -0.4929 0.1733 -0.5793 5DOPE H18Z 645 5.275 0.981 4.482 0.6650 0.7752 0.6252 6DOPE N 646 4.629 3.437 6.868 0.4743 0.7690 0.3447 6DOPE HN1 647 4.526 3.423 6.861 0.4276 1.8413 -2.3334 6DOPE HN2 648 4.660 3.380 6.787 1.7343 1.9154 -0.0187 6DOPE HN3 649 4.671 3.397 6.954 -1.2827 -1.7036 0.1514 6DOPE C12 650 4.682 3.575 6.837 -0.0842 0.8544 -0.2479 6DOPE H12A 651 4.792 3.561 6.841 -0.2762 -0.4051 2.1710 6DOPE H12B 652 4.648 3.645 6.916 1.2375 0.8951 0.2981 6DOPE C11 653 4.638 3.632 6.702 0.0093 0.2911 -0.5167 6DOPE H11A 654 4.728 3.626 6.636 0.0650 0.9319 -0.4985 6DOPE H11B 655 4.622 3.741 6.710 -0.1860 0.4414 -2.3911 6DOPE P 656 4.495 3.615 6.501 -0.1821 -0.2106 -0.1116 6DOPE O13 657 4.610 3.580 6.415 0.4171 0.7582 0.2855 6DOPE O14 658 4.448 3.755 6.505 -0.1229 -0.1913 -0.0993 6DOPE O11 659 4.373 3.528 6.445 -0.2826 0.1164 -0.4083 6DOPE O12 660 4.524 3.563 6.649 0.1530 -0.2135 -0.1767 6DOPE C1 661 4.376 3.385 6.448 0.1636 0.1346 0.0763 6DOPE HA 662 4.268 3.358 6.457 0.1455 0.4086 0.7707 6DOPE HB 663 4.434 3.341 6.533 -1.2675 -1.5670 0.2526 6DOPE C2 664 4.438 3.329 6.319 -0.1632 0.5360 -0.2569 6DOPE HS 665 4.545 3.359 6.318 0.3041 -1.0655 -1.0577 6DOPE O21 666 4.365 3.370 6.204 0.0930 0.1717 -0.5511 6DOPE C21 667 4.437 3.454 6.128 -0.2310 1.2462 0.3025 6DOPE O22 668 4.551 3.492 6.151 -0.0248 0.3141 0.8739 6DOPE C22 669 4.356 3.483 6.003 -0.3551 0.0869 0.0995 6DOPE H2R 670 4.261 3.538 6.024 -0.3982 1.2619 -2.7139 6DOPE H2S 671 4.318 3.384 5.969 0.0855 -0.2850 0.6817 6DOPE C3 672 4.440 3.176 6.333 0.4543 0.5720 0.1133 6DOPE HX 673 4.346 3.131 6.372 0.4131 0.7516 0.2241 6DOPE HY 674 4.500 3.158 6.425 -2.0933 -0.3882 1.7131 6DOPE O31 675 4.480 3.104 6.216 -0.3680 -0.0709 0.2202 6DOPE C31 676 4.380 3.073 6.134 -0.3096 0.0951 0.0857 6DOPE O32 677 4.263 3.107 6.144 -0.3017 0.2166 -0.2262 6DOPE C32 678 4.446 3.024 6.006 -0.2406 0.1297 0.1085 6DOPE H2X 679 4.555 3.035 6.020 -0.1207 -0.1587 -0.5440 6DOPE H2Y 680 4.416 2.919 5.985 -1.7249 0.2292 1.5166 6DOPE C23 681 4.443 3.559 5.902 -0.3880 -0.0915 -0.0639 6DOPE H3R 682 4.511 3.485 5.854 -1.0639 0.9997 -2.9258 6DOPE H3S 683 4.505 3.639 5.948 2.1108 -1.0574 -1.5593 6DOPE C24 684 4.361 3.624 5.790 -0.1064 0.2975 -0.0459 6DOPE H4R 685 4.428 3.665 5.711 -0.2583 1.4661 0.4138 6DOPE H4S 686 4.316 3.715 5.834 -1.9419 0.5884 -2.3449 6DOPE C25 687 4.261 3.521 5.736 0.3061 -0.0099 -0.2352 6DOPE H5R 688 4.188 3.486 5.812 0.3070 -0.7542 -0.5747 6DOPE H5S 689 4.327 3.438 5.703 0.4703 0.1562 -0.3288 6DOPE C26 690 4.178 3.567 5.617 0.0739 -0.0885 -0.1043 6DOPE H6R 691 4.117 3.656 5.645 0.5073 1.1844 -2.8258 6DOPE H6S 692 4.115 3.478 5.596 -0.4482 0.3727 -0.5543 6DOPE C27 693 4.257 3.608 5.492 0.1012 -0.0980 -0.0899 6DOPE H7R 694 4.347 3.543 5.483 -1.1206 -2.0760 1.2154 6DOPE H7S 695 4.271 3.712 5.529 -1.4979 -0.4863 1.7825 6DOPE C28 696 4.177 3.588 5.364 -0.1287 -0.2380 0.0745 6DOPE H8R 697 4.135 3.486 5.348 -1.1851 -0.0003 1.1727 6DOPE H8S 698 4.236 3.616 5.274 1.2923 -0.1519 1.0094 6DOPE C29 699 4.060 3.682 5.367 0.1537 0.1071 0.3429 6DOPE H9R 700 4.088 3.787 5.352 -1.0137 0.0648 -2.7648 6DOPE C210 701 3.931 3.651 5.385 0.1389 -0.0101 0.0373 6DOPE H10R 702 3.856 3.730 5.371 0.4435 0.1527 -0.7057 6DOPE C211 703 3.873 3.513 5.402 0.0743 -0.0168 -0.2387 6DOPE H11R 704 3.787 3.530 5.470 -1.3043 2.0213 -2.2969 6DOPE H11S 705 3.948 3.443 5.442 1.8213 2.5318 1.2561 6DOPE C212 706 3.821 3.468 5.265 0.6063 -0.8836 -0.1616 6DOPE H12R 707 3.906 3.468 5.194 0.0121 0.5924 -0.9148 6DOPE H12S 708 3.743 3.540 5.233 0.5545 -0.8459 0.0460 6DOPE C213 709 3.759 3.328 5.278 -0.0603 -0.5702 0.1107 6DOPE H13R 710 3.679 3.319 5.354 -1.3964 -0.2984 -1.1946 6DOPE H13S 711 3.845 3.263 5.304 0.5302 0.7915 1.7440 6DOPE C214 712 3.692 3.279 5.149 -0.3694 -0.0612 0.0748 6DOPE H14R 713 3.760 3.319 5.072 0.4075 -1.4847 -0.0114 6DOPE H14S 714 3.593 3.323 5.124 0.0503 0.1377 -1.3383 6DOPE C215 715 3.680 3.128 5.129 0.1269 -0.1127 0.1456 6DOPE H15R 716 3.770 3.078 5.171 1.1860 1.6655 0.0921 6DOPE H15S 717 3.680 3.099 5.022 0.7154 1.0179 -0.1752 6DOPE C216 718 3.550 3.073 5.189 0.0839 0.3444 0.4748 6DOPE H16R 719 3.467 3.145 5.169 -1.3183 -1.0770 0.9511 6DOPE H16S 720 3.556 3.067 5.299 0.5139 3.3444 0.7099 6DOPE C217 721 3.521 2.939 5.121 0.2880 0.4424 0.1884 6DOPE H17R 722 3.616 2.882 5.126 1.0202 1.5728 -0.3934 6DOPE H17S 723 3.495 2.943 5.014 -0.7033 -0.6250 0.3717 6DOPE C218 724 3.412 2.864 5.198 0.7727 -0.1992 0.2555 6DOPE H18R 725 3.413 2.895 5.304 -3.6666 1.6548 -0.0207 6DOPE H18S 726 3.412 2.753 5.202 1.2932 -0.1852 0.7811 6DOPE H18T 727 3.312 2.900 5.165 2.0433 1.1596 -2.3702 6DOPE C33 728 4.405 3.119 5.893 -0.1898 0.0458 0.0187 6DOPE H3X 729 4.439 3.217 5.933 -0.5552 -0.3017 1.2066 6DOPE H3Y 730 4.295 3.123 5.884 -0.5251 -4.2272 0.5004 6DOPE C34 731 4.471 3.083 5.760 -0.1718 -0.1096 0.0701 6DOPE H4X 732 4.581 3.076 5.772 -0.0537 0.5329 -0.5564 6DOPE H4Y 733 4.438 2.983 5.725 -2.6291 1.1429 -1.4937 6DOPE C35 734 4.432 3.186 5.654 1.0000 0.4248 0.1488 6DOPE H5X 735 4.500 3.274 5.656 0.8066 0.5801 2.2529 6DOPE H5Y 736 4.325 3.203 5.674 0.8097 -0.9914 0.4039 6DOPE C36 737 4.437 3.140 5.508 0.2913 0.0371 0.2468 6DOPE H6X 738 4.539 3.097 5.504 0.4665 0.4754 -0.0159 6DOPE H6Y 739 4.359 3.061 5.496 0.8343 -0.6984 1.3634 6DOPE C37 740 4.416 3.245 5.399 -0.1123 0.0761 0.3571 6DOPE H7X 741 4.320 3.299 5.410 -0.2988 0.2538 -1.6430 6DOPE H7Y 742 4.497 3.321 5.397 0.4954 -0.5607 -0.1860 6DOPE C38 743 4.417 3.184 5.258 -0.2718 0.1613 0.3191 6DOPE H8X 744 4.510 3.122 5.256 -0.3408 -0.0044 1.3717 6DOPE H8Y 745 4.327 3.120 5.247 -0.4483 0.8021 -2.9537 6DOPE C39 746 4.423 3.292 5.155 0.2090 -0.0064 0.1703 6DOPE H9X 747 4.492 3.374 5.181 -1.4059 0.7417 2.3231 6DOPE C310 748 4.352 3.301 5.041 0.4321 0.2927 0.0519 6DOPE H10X 749 4.379 3.370 4.960 -0.8513 -0.2212 -0.8518 6DOPE C311 750 4.250 3.203 4.991 0.2877 0.3023 0.3269 6DOPE H11X 751 4.293 3.135 4.915 0.5022 -0.8198 1.4183 6DOPE H11Y 752 4.223 3.135 5.075 -0.1653 0.2399 0.1356 6DOPE C312 753 4.120 3.271 4.948 0.4696 0.3643 -0.1208 6DOPE H12X 754 4.140 3.341 4.864 0.3733 0.7822 0.2024 6DOPE H12Y 755 4.087 3.327 5.038 -1.5147 -1.5892 0.4569 6DOPE C313 756 4.017 3.166 4.906 0.8649 -0.0612 -0.0306 6DOPE H13X 757 4.025 3.085 4.982 0.0937 0.5287 0.7101 6DOPE H13Y 758 3.915 3.209 4.914 -0.0189 -1.9889 -0.1927 6DOPE C314 759 4.024 3.127 4.758 -0.6169 -0.2006 -0.0823 6DOPE H14X 760 4.116 3.065 4.751 -1.1082 -0.7520 -1.9918 6DOPE H14Y 761 4.036 3.212 4.688 -0.9138 -0.0120 0.0923 6DOPE C315 762 3.909 3.040 4.708 -0.2568 -0.7085 -0.0431 6DOPE H15X 763 3.900 2.954 4.777 0.0469 -1.1457 -0.5464 6DOPE H15Y 764 3.933 2.989 4.612 0.3202 -1.0425 0.2731 6DOPE C316 765 3.775 3.108 4.678 -0.1868 -0.1595 0.8601 6DOPE H16X 766 3.794 3.175 4.591 2.3513 -2.5722 -0.5990 6DOPE H16Y 767 3.735 3.161 4.767 1.4746 0.7679 1.0939 6DOPE C317 768 3.673 3.008 4.623 -0.2988 0.2358 0.3423 6DOPE H17X 769 3.712 2.974 4.524 0.6041 -0.7326 1.0038 6DOPE H17Y 770 3.577 3.057 4.599 -0.6627 -0.4051 0.4761 6DOPE C318 771 3.644 2.885 4.708 0.2712 0.1052 0.3530 6DOPE H18X 772 3.732 2.831 4.749 -1.9823 -1.4631 3.4979 6DOPE H18Y 773 3.586 2.812 4.648 -1.8666 2.1424 -0.1964 6DOPE H18Z 774 3.587 2.913 4.799 0.1346 0.5673 0.1242 7DOPE N 775 1.439 2.181 7.086 -0.0374 -0.3026 0.0319 7DOPE HN1 776 1.530 2.162 7.132 -0.0709 -0.7042 -0.0596 7DOPE HN2 777 1.352 2.141 7.128 0.1459 -0.1529 0.5529 7DOPE HN3 778 1.436 2.152 6.986 -0.5726 -0.4310 0.0819 7DOPE C12 779 1.414 2.329 7.073 -0.0608 -0.2576 0.5659 7DOPE H12A 780 1.450 2.372 7.168 1.8894 -0.2676 -0.1383 7DOPE H12B 781 1.308 2.353 7.047 0.1350 -0.6791 -0.6916 7DOPE C11 782 1.502 2.398 6.969 -0.2498 -0.2752 0.3918 7DOPE H11A 783 1.470 2.504 6.971 -1.2917 -0.5628 -0.1653 7DOPE H11B 784 1.477 2.351 6.871 0.3990 2.3633 -1.1422 7DOPE P 785 1.737 2.420 6.894 0.0555 0.2106 -0.0225 7DOPE O13 786 1.869 2.362 6.928 0.0811 0.1780 -0.1775 7DOPE O14 787 1.736 2.568 6.892 -0.1928 0.2167 0.5183 7DOPE O11 788 1.680 2.355 6.759 -0.1395 0.3088 0.0125 7DOPE O12 789 1.637 2.370 7.008 -0.0629 -0.6476 -0.4932 7DOPE C1 790 1.685 2.213 6.750 -0.0209 0.3163 -0.0391 7DOPE HA 791 1.601 2.180 6.685 -0.4310 0.2613 0.5098 7DOPE HB 792 1.662 2.171 6.850 0.7437 2.3211 1.0269 7DOPE C2 793 1.810 2.156 6.680 0.0931 0.2710 0.1997 7DOPE HS 794 1.893 2.167 6.753 -1.1241 0.7987 1.5551 7DOPE O21 795 1.854 2.231 6.566 -0.1953 0.4692 0.2184 7DOPE C21 796 1.774 2.231 6.459 -0.2005 0.8312 0.2181 7DOPE O22 797 1.672 2.167 6.442 0.4858 -0.3938 0.5133 7DOPE C22 798 1.836 2.321 6.353 0.6146 -0.1516 -0.1655 7DOPE H2R 799 1.946 2.322 6.373 0.5205 -1.2488 0.4435 7DOPE H2S 800 1.809 2.428 6.367 -0.8778 -0.7170 1.6859 7DOPE C3 801 1.801 2.005 6.655 -0.3652 0.3478 -0.1111 7DOPE HX 802 1.698 1.990 6.615 0.8605 -1.5455 -2.8698 7DOPE HY 803 1.803 1.947 6.750 0.0052 1.1195 0.3573 7DOPE O31 804 1.892 1.952 6.558 0.1705 0.1232 0.5114 7DOPE C31 805 2.009 1.912 6.609 0.3224 0.0583 0.1140 7DOPE O32 806 2.033 1.905 6.728 0.2101 -0.3768 0.1149 7DOPE C32 807 2.110 1.884 6.498 0.4733 0.0077 0.2638 7DOPE H2X 808 2.166 1.794 6.528 -0.1570 -0.2282 0.7636 7DOPE H2Y 809 2.050 1.866 6.406 -0.3510 -0.8741 0.9511 7DOPE C23 810 1.807 2.282 6.208 -0.0588 -0.2498 -0.0073 7DOPE H3R 811 1.703 2.301 6.174 0.2221 -0.7276 -1.1818 7DOPE H3S 812 1.840 2.179 6.183 2.3075 0.1348 1.1923 7DOPE C24 813 1.890 2.376 6.120 0.0823 0.0533 0.4401 7DOPE H4R 814 1.995 2.347 6.140 0.1796 -1.4838 -1.8407 7DOPE H4S 815 1.880 2.481 6.156 -0.0333 -0.3403 1.5996 7DOPE C25 816 1.859 2.364 5.970 -0.0165 -0.1763 0.4788 7DOPE H5R 817 1.760 2.408 5.943 0.4794 0.9128 0.4034 7DOPE H5S 818 1.869 2.257 5.941 -0.5968 0.0767 -0.6893 7DOPE C26 819 1.968 2.431 5.887 0.0344 -0.7959 0.0325 7DOPE H6R 820 2.063 2.376 5.904 1.1846 1.3621 1.1066 7DOPE H6S 821 1.984 2.532 5.932 -0.2553 -0.7628 0.0666 7DOPE C27 822 1.949 2.427 5.736 -0.0786 0.1083 0.0161 7DOPE H7R 823 2.043 2.471 5.695 -0.0994 0.0162 -0.1319 7DOPE H7S 824 1.867 2.496 5.708 1.4009 2.0132 0.1409 7DOPE C28 825 1.919 2.289 5.677 -0.5472 0.2994 -0.1952 7DOPE H8R 826 1.814 2.263 5.704 -1.7533 2.7314 -2.1463 7DOPE H8S 827 1.986 2.213 5.721 -0.7983 0.9738 1.4595 7DOPE C29 828 1.918 2.278 5.528 0.1833 -0.3895 -0.1511 7DOPE H9R 829 1.831 2.317 5.474 -1.4067 1.5679 3.4810 7DOPE C210 830 2.008 2.209 5.455 -0.2131 -0.4922 -0.5475 7DOPE H10R 831 1.987 2.201 5.348 -1.2418 0.9883 -0.4805 7DOPE C211 832 2.131 2.145 5.513 -0.0735 0.2188 -0.0395 7DOPE H11R 833 2.107 2.040 5.542 -0.1106 0.8333 2.3478 7DOPE H11S 834 2.168 2.204 5.599 -0.2905 2.2007 -1.2574 7DOPE C212 835 2.247 2.161 5.416 -0.2256 -0.0433 -0.2676 7DOPE H12R 836 2.287 2.265 5.427 -0.1383 -0.1656 0.6316 7DOPE H12S 837 2.210 2.156 5.311 0.1517 0.8272 -0.4518 7DOPE C213 838 2.366 2.065 5.425 0.0029 0.2203 -0.4246 7DOPE H13R 839 2.408 2.077 5.527 -0.2711 -0.6563 -0.2026 7DOPE H13S 840 2.444 2.092 5.351 1.5795 -0.0930 1.0443 7DOPE C214 841 2.346 1.914 5.416 -0.1490 0.2111 0.0316 7DOPE H14R 842 2.278 1.876 5.495 -0.3054 -1.1510 -0.7167 7DOPE H14S 843 2.444 1.865 5.431 0.0326 0.5530 -0.0346 7DOPE C215 844 2.282 1.871 5.284 0.3719 0.2219 -0.2248 7DOPE H15R 845 2.179 1.911 5.293 0.4479 0.6247 -1.0327 7DOPE H15S 846 2.266 1.762 5.269 0.1461 0.1327 0.6268 7DOPE C216 847 2.345 1.925 5.155 -0.1592 -0.4606 -0.7766 7DOPE H16R 848 2.337 2.035 5.165 -1.5683 -0.6501 0.6443 7DOPE H16S 849 2.286 1.890 5.067 -1.9607 -0.0906 0.2312 7DOPE C217 850 2.486 1.872 5.130 0.2816 0.2172 0.2571 7DOPE H17R 851 2.493 1.762 5.116 0.7010 0.2855 -0.0963 7DOPE H17S 852 2.531 1.903 5.227 -1.8933 -0.2516 1.4835 7DOPE C218 853 2.561 1.937 5.014 0.8229 -0.4509 0.2218 7DOPE H18R 854 2.513 1.922 4.915 0.0619 1.1889 0.2968 7DOPE H18S 855 2.577 2.047 5.027 1.0250 -0.3571 -0.7420 7DOPE H18T 856 2.663 1.894 5.010 1.6653 1.4963 -1.1969 7DOPE C33 857 2.203 2.005 6.483 -0.0696 0.3254 -0.5940 7DOPE H3X 858 2.257 2.025 6.577 0.9302 1.0660 -1.3123 7DOPE H3Y 859 2.141 2.095 6.463 0.4312 0.9816 0.7300 7DOPE C34 860 2.307 1.997 6.371 -0.1696 0.5481 -0.7026 7DOPE H4X 861 2.357 2.096 6.367 -1.9070 1.4943 -0.2559 7DOPE H4Y 862 2.387 1.930 6.408 -0.5888 -0.4268 -1.5268 7DOPE C35 863 2.254 1.957 6.233 0.0741 -0.1104 -0.6078 7DOPE H5X 864 2.232 1.849 6.222 0.7983 -0.0795 -2.9073 7DOPE H5Y 865 2.348 1.967 6.175 1.0018 2.2750 1.1463 7DOPE C36 866 2.145 2.048 6.176 -0.3286 0.2035 0.6265 7DOPE H6X 867 2.044 2.014 6.206 -0.4926 -1.7050 -1.7369 7DOPE H6Y 868 2.175 2.149 6.212 1.6435 0.3061 -1.1017 7DOPE C37 869 2.148 2.061 6.023 -0.1121 -0.3922 0.5784 7DOPE H7X 870 2.069 2.129 5.984 0.7970 -0.2207 -0.9972 7DOPE H7Y 871 2.245 2.108 6.000 -0.0488 -0.6749 0.2610 7DOPE C38 872 2.150 1.932 5.941 0.1637 0.1142 -0.2205 7DOPE H8X 873 2.160 1.956 5.833 0.2454 2.7740 0.3111 7DOPE H8Y 874 2.244 1.875 5.962 -0.4965 -0.7012 0.5922 7DOPE C39 875 2.028 1.848 5.961 -0.3098 0.8178 -0.1281 7DOPE H9X 876 1.991 1.835 6.064 1.2961 2.2357 0.6693 7DOPE C310 877 1.968 1.774 5.866 0.7553 -0.2320 -0.0093 7DOPE H10X 878 1.874 1.724 5.893 -0.1775 1.1736 -0.5383 7DOPE C311 879 2.012 1.777 5.723 0.4140 0.2622 -0.1052 7DOPE H11X 880 1.959 1.855 5.663 -1.5955 -1.3151 -0.4769 7DOPE H11Y 881 2.119 1.799 5.705 0.8948 -0.8113 1.3439 7DOPE C312 882 1.989 1.645 5.649 0.3143 0.3044 -0.1499 7DOPE H12X 883 2.050 1.564 5.694 -0.5762 0.3191 1.1435 7DOPE H12Y 884 1.884 1.609 5.659 0.1569 0.6254 -0.6004 7DOPE C313 885 2.040 1.642 5.505 -0.0376 -0.3098 -0.2637 7DOPE H13X 886 1.996 1.719 5.438 0.7574 0.3341 -0.0611 7DOPE H13Y 887 2.149 1.661 5.497 -0.2321 0.1006 -2.6151 7DOPE C314 888 2.009 1.504 5.446 -0.4123 -0.3346 -0.0163 7DOPE H14X 889 1.902 1.497 5.417 -0.1743 -2.2156 -0.5864 7DOPE H14Y 890 2.026 1.418 5.515 0.6119 -0.5883 -0.5466 7DOPE C315 891 2.091 1.465 5.323 0.6033 0.8440 0.2653 7DOPE H15X 892 2.195 1.498 5.342 0.2635 1.3078 1.4038 7DOPE H15Y 893 2.075 1.358 5.299 0.5019 1.0595 -0.6988 7DOPE C316 894 2.058 1.541 5.194 -0.9782 -0.3407 -0.0685 7DOPE H16X 895 1.951 1.539 5.164 -0.5222 -0.8270 -1.7765 7DOPE H16Y 896 2.082 1.649 5.205 -0.5978 -0.4376 0.0822 7DOPE C317 897 2.133 1.489 5.071 -0.3707 -0.1497 0.2136 7DOPE H17X 898 2.110 1.380 5.065 1.8154 -0.7027 0.9044 7DOPE H17Y 899 2.086 1.540 4.984 0.1497 0.3801 0.2358 7DOPE C318 900 2.283 1.489 5.045 -0.4643 0.3407 -0.3549 7DOPE H18X 901 2.340 1.584 5.033 -1.3156 0.6830 -1.8987 7DOPE H18Y 902 2.335 1.447 5.134 1.2673 0.2302 -1.3851 7DOPE H18Z 903 2.301 1.429 4.954 -2.3250 1.4854 -1.5496 8DOPE N 904 3.222 5.069 6.398 0.4377 -0.1390 0.2625 8DOPE HN1 905 3.149 4.998 6.381 -1.1707 1.7017 -0.9443 8DOPE HN2 906 3.279 5.059 6.484 0.0003 -0.6612 0.4911 8DOPE HN3 907 3.168 5.156 6.417 -0.0400 -0.5043 0.5655 8DOPE C12 908 3.296 5.091 6.268 0.2034 -0.5123 0.0661 8DOPE H12A 909 3.257 5.172 6.203 1.5543 0.4585 0.4178 8DOPE H12B 910 3.297 4.990 6.221 -0.1415 -0.7033 0.4643 8DOPE C11 911 3.442 5.132 6.290 0.3268 -0.5620 -0.6157 8DOPE H11A 912 3.493 5.136 6.192 -1.5088 1.9278 -1.5481 8DOPE H11B 913 3.481 5.043 6.345 1.0386 -0.0840 -0.3315 8DOPE P 914 3.598 5.305 6.422 -0.1223 -0.2180 0.0608 8DOPE O13 915 3.669 5.183 6.469 0.3299 -0.2426 -0.6649 8DOPE O14 916 3.582 5.415 6.519 -0.2446 0.1603 -0.3886 8DOPE O11 917 3.678 5.367 6.298 -0.3660 -0.2662 -0.1220 8DOPE O12 918 3.459 5.256 6.359 0.3153 -0.5276 -0.6757 8DOPE C1 919 3.646 5.501 6.259 -0.0241 -0.2041 -0.1958 8DOPE HA 920 3.739 5.525 6.204 0.7948 -1.2860 0.6716 8DOPE HB 921 3.622 5.567 6.346 -0.0566 -1.7701 1.0357 8DOPE C2 922 3.536 5.523 6.154 -0.1194 -0.5604 -0.1710 8DOPE HS 923 3.437 5.529 6.205 0.4862 -3.1631 1.5044 8DOPE O21 924 3.530 5.417 6.058 -0.0365 -0.2482 -0.5241 8DOPE C21 925 3.418 5.412 5.986 -0.4474 -0.1409 0.0959 8DOPE O22 926 3.328 5.495 5.991 -0.2502 0.0630 0.2471 8DOPE C22 927 3.420 5.288 5.897 0.0081 0.0745 -0.2003 8DOPE H2R 928 3.415 5.194 5.956 -2.6276 -1.0480 -2.0275 8DOPE H2S 929 3.514 5.269 5.842 0.4586 3.2443 -0.7159 8DOPE C3 930 3.562 5.655 6.080 -0.3946 -0.3903 0.0326 8DOPE HX 931 3.584 5.742 6.145 -3.7889 -0.1262 1.0258 8DOPE HY 932 3.470 5.686 6.026 -0.5589 -2.6110 -1.0786 8DOPE O31 933 3.667 5.635 5.984 0.1599 -0.1631 0.5822 8DOPE C31 934 3.786 5.693 5.998 0.1856 -0.0541 -0.0659 8DOPE O32 935 3.816 5.769 6.089 -0.5759 0.0161 0.1340 8DOPE C32 936 3.874 5.645 5.884 -0.3672 0.1344 -0.5793 8DOPE H2X 937 3.869 5.699 5.787 2.3107 0.1391 -0.8036 8DOPE H2Y 938 3.975 5.660 5.928 -1.1412 -0.1873 1.4010 8DOPE C23 939 3.307 5.270 5.796 -0.2765 -0.0224 0.1295 8DOPE H3R 940 3.216 5.276 5.859 1.4086 1.3516 2.5575 8DOPE H3S 941 3.304 5.165 5.758 -1.3264 0.5565 -1.5190 8DOPE C24 942 3.301 5.365 5.676 -0.6373 -0.0238 0.1459 8DOPE H4R 943 3.397 5.357 5.620 -0.4239 1.9460 0.1490 8DOPE H4S 944 3.296 5.468 5.717 1.0423 -0.4493 1.5643 8DOPE C25 945 3.178 5.348 5.587 -0.3337 -0.5019 -0.1816 8DOPE H5R 946 3.086 5.337 5.648 0.3781 1.3333 1.3014 8DOPE H5S 947 3.176 5.253 5.528 1.7896 -0.4993 -0.3616 8DOPE C26 948 3.170 5.472 5.498 -0.3005 -0.2334 0.1913 8DOPE H6R 949 3.266 5.494 5.447 -0.0571 -1.0545 0.2909 8DOPE H6S 950 3.161 5.559 5.568 -0.1103 -0.9369 1.1084 8DOPE C27 951 3.047 5.470 5.408 -0.3766 -0.1776 0.2929 8DOPE H7R 952 3.031 5.569 5.361 -1.1586 0.3185 1.5591 8DOPE H7S 953 2.955 5.454 5.468 -2.0632 0.5757 -1.9314 8DOPE C28 954 3.046 5.369 5.293 -0.2492 0.0909 0.0545 8DOPE H8R 955 3.050 5.265 5.333 -0.1624 0.6229 1.4700 8DOPE H8S 956 3.144 5.369 5.241 -0.7024 -3.6471 -1.1235 8DOPE C29 957 2.925 5.377 5.204 -0.3710 0.2651 0.2354 8DOPE H9R 958 2.834 5.319 5.224 -1.2365 1.6237 0.3576 8DOPE C210 959 2.920 5.462 5.100 -0.1741 0.0637 0.0599 8DOPE H10R 960 2.822 5.474 5.051 0.0920 -2.4359 -1.2585 8DOPE C211 961 3.024 5.558 5.053 0.3111 -0.1821 0.6216 8DOPE H11R 962 3.092 5.502 4.985 -1.0490 -1.7562 0.5038 8DOPE H11S 963 3.077 5.605 5.139 -0.1062 0.3336 0.6006 8DOPE C212 964 2.961 5.672 4.972 0.3617 -0.5946 0.0002 8DOPE H12R 965 2.890 5.728 5.035 0.6093 0.3033 -0.5102 8DOPE H12S 966 2.901 5.610 4.902 0.0230 -2.0782 1.5356 8DOPE C213 967 3.045 5.771 4.891 -0.5796 -0.1788 -0.4845 8DOPE H13R 968 3.097 5.710 4.813 -1.2547 -0.9856 -0.3244 8DOPE H13S 969 3.121 5.811 4.962 -2.2369 1.4190 0.4493 8DOPE C214 970 2.966 5.884 4.826 -0.1526 0.2130 -0.3289 8DOPE H14R 971 2.891 5.920 4.900 -0.5027 0.4717 -0.8014 8DOPE H14S 972 2.910 5.837 4.742 -0.3030 -0.3485 0.0804 8DOPE C215 973 3.055 5.994 4.769 0.1943 -0.1597 -0.5127 8DOPE H15R 974 3.131 5.944 4.705 -0.2109 -0.4422 -0.7773 8DOPE H15S 975 3.100 6.045 4.857 -0.1849 0.2850 -0.5693 8DOPE C216 976 2.984 6.093 4.676 -0.6959 -0.2203 0.0961 8DOPE H16R 977 3.024 6.193 4.702 0.3105 -0.5194 -0.2678 8DOPE H16S 978 2.875 6.102 4.697 -0.9230 -0.3646 -0.9512 8DOPE C217 979 3.015 6.079 4.527 0.1179 0.1244 0.2285 8DOPE H17R 980 2.973 5.981 4.497 0.1127 0.1494 0.1539 8DOPE H17S 981 3.124 6.077 4.505 -0.3829 -0.9068 -2.5920 8DOPE C218 982 2.947 6.190 4.447 -0.3165 -0.1008 0.2804 8DOPE H18R 983 2.983 6.179 4.342 0.6050 -0.4965 0.6268 8DOPE H18S 984 2.960 6.293 4.486 1.7724 -0.8280 1.7216 8DOPE H18T 985 2.839 6.167 4.441 -0.3340 -0.0482 0.4151 8DOPE C33 986 3.840 5.498 5.865 -0.7403 0.1321 0.0783 8DOPE H3X 987 3.740 5.492 5.815 -0.5241 0.2035 -0.3666 8DOPE H3Y 988 3.832 5.448 5.964 0.9235 -0.6327 -0.1397 8DOPE C34 989 3.942 5.424 5.779 -0.5284 0.2131 0.2622 8DOPE H4X 990 4.035 5.401 5.836 1.8561 0.0337 -3.3878 8DOPE H4Y 991 3.884 5.332 5.756 -2.3636 1.1774 0.8861 8DOPE C35 992 3.973 5.493 5.646 -0.2778 -0.2896 0.0530 8DOPE H5X 993 4.035 5.583 5.667 -1.1418 0.4825 -0.6321 8DOPE H5Y 994 3.873 5.519 5.606 -0.6357 0.9087 1.5855 8DOPE C36 995 4.053 5.407 5.548 0.2615 0.0086 0.2283 8DOPE H6X 996 3.999 5.314 5.521 -0.9167 0.3080 1.4234 8DOPE H6Y 997 4.153 5.384 5.590 -0.4134 -1.9795 0.8653 8DOPE C37 998 4.077 5.488 5.420 0.0285 0.0184 0.1897 8DOPE H7X 999 3.979 5.508 5.374 -0.4365 -1.5034 0.4535 8DOPE H7Y 1000 4.117 5.590 5.434 -3.1685 1.7664 -2.2724 8DOPE C38 1001 4.161 5.416 5.315 -0.0882 -0.7233 0.5935 8DOPE H8X 1002 4.141 5.457 5.214 0.2290 -1.8366 0.0617 8DOPE H8Y 1003 4.118 5.314 5.309 -0.0674 -0.6623 -2.0623 8DOPE C39 1004 4.310 5.409 5.332 -0.0073 -0.0315 0.1999 8DOPE H9X 1005 4.356 5.482 5.400 1.1483 1.3308 -1.9467 8DOPE C310 1006 4.399 5.347 5.252 0.4082 -0.0119 0.6405 8DOPE H10X 1007 4.505 5.364 5.275 0.3776 1.5653 -0.2195 8DOPE C311 1008 4.362 5.254 5.140 -0.0713 0.2018 0.6190 8DOPE H11X 1009 4.266 5.199 5.152 -0.1712 0.6487 2.0123 8DOPE H11Y 1010 4.373 5.302 5.041 -0.0814 0.0526 0.5458 8DOPE C312 1011 4.473 5.151 5.121 -0.3831 0.0316 -0.3388 8DOPE H12X 1012 4.480 5.074 5.201 -1.2341 0.2315 -0.0591 8DOPE H12Y 1013 4.574 5.197 5.132 -0.2935 -0.4881 1.2658 8DOPE C313 1014 4.465 5.082 4.985 0.3799 0.5832 -0.6726 8DOPE H13X 1015 4.362 5.055 4.955 -0.4766 0.3527 2.1848 8DOPE H13Y 1016 4.499 5.157 4.911 1.4403 -0.1545 -0.9634 8DOPE C314 1017 4.561 4.962 4.985 0.4805 0.6604 -0.0102 8DOPE H14X 1018 4.538 4.871 5.045 2.5520 1.0359 1.4657 8DOPE H14Y 1019 4.650 4.999 5.040 0.8250 -0.4312 0.1787 8DOPE C315 1020 4.602 4.913 4.846 0.4597 0.0653 0.1914 8DOPE H15X 1021 4.640 5.001 4.790 1.5529 -0.3857 0.2081 8DOPE H15Y 1022 4.507 4.874 4.803 -0.8783 2.7986 0.4184 8DOPE C316 1023 4.697 4.794 4.857 0.1636 -0.2093 -0.2024 8DOPE H16X 1024 4.648 4.706 4.904 0.0208 0.2209 0.4654 8DOPE H16Y 1025 4.777 4.845 4.915 1.0501 -0.7990 -0.8687 8DOPE C317 1026 4.760 4.749 4.725 0.9267 -0.4137 0.2256 8DOPE H17X 1027 4.821 4.657 4.736 -1.7086 -2.2332 0.3502 8DOPE H17Y 1028 4.677 4.714 4.660 -0.0039 2.8017 -0.4952 8DOPE C318 1029 4.839 4.859 4.652 -0.0359 -0.0032 -0.2118 8DOPE H18X 1030 4.880 4.820 4.557 2.2201 -1.7574 1.3710 8DOPE H18Y 1031 4.772 4.946 4.636 -1.4121 -0.8326 0.7550 8DOPE H18Z 1032 4.927 4.874 4.718 -0.2453 -0.5713 0.2076 9DOPE N 1033 3.811 3.522 6.368 0.0080 -0.1258 -0.7111 9DOPE HN1 1034 3.779 3.423 6.374 1.0877 -0.4838 4.4598 9DOPE HN2 1035 3.911 3.528 6.340 -0.1531 0.0548 -1.2610 9DOPE HN3 1036 3.804 3.563 6.464 -1.3344 -0.8570 -0.4724 9DOPE C12 1037 3.726 3.603 6.273 0.0119 0.0835 -0.5383 9DOPE H12A 1038 3.626 3.612 6.320 0.9602 1.4470 1.3271 9DOPE H12B 1039 3.702 3.543 6.182 0.4055 0.3353 -0.8114 9DOPE C11 1040 3.788 3.739 6.241 -0.2918 0.3463 -0.0088 9DOPE H11A 1041 3.733 3.789 6.159 1.3291 0.7899 -0.8794 9DOPE H11B 1042 3.890 3.719 6.202 -0.2311 -2.3646 1.3081 9DOPE P 1043 3.893 3.931 6.368 0.1773 0.0317 0.2446 9DOPE O13 1044 4.030 3.875 6.374 0.0644 -0.2975 -0.2056 9DOPE O14 1045 3.856 4.033 6.469 0.1355 -0.0859 0.3471 9DOPE O11 1046 3.873 3.982 6.218 -0.2563 0.0642 0.3112 9DOPE O12 1047 3.792 3.808 6.367 0.0021 0.1765 0.0770 9DOPE C1 1048 3.929 4.112 6.197 0.1782 -0.1224 0.2949 9DOPE HA 1049 3.981 4.104 6.099 0.4068 -0.7606 0.4638 9DOPE HB 1050 3.998 4.151 6.274 -0.4149 1.7171 -0.0437 9DOPE C2 1051 3.815 4.212 6.170 0.3745 -0.0186 -0.1581 9DOPE HS 1052 3.743 4.191 6.252 0.9025 -0.8921 0.1037 9DOPE O21 1053 3.762 4.178 6.041 -0.1058 0.1702 -0.0106 9DOPE C21 1054 3.645 4.234 6.011 0.2684 0.7145 -0.4702 9DOPE O22 1055 3.568 4.278 6.095 0.0861 -0.6021 0.0790 9DOPE C22 1056 3.622 4.239 5.860 0.6555 0.5027 -0.5372 9DOPE H2R 1057 3.562 4.148 5.835 0.1230 0.9443 -0.8956 9DOPE H2S 1058 3.724 4.236 5.817 0.7332 -0.3624 -0.3180 9DOPE C3 1059 3.865 4.357 6.175 0.3232 -0.0016 -0.1466 9DOPE HX 1060 3.913 4.367 6.274 0.9150 -1.6612 -0.2307 9DOPE HY 1061 3.783 4.431 6.169 0.0768 -0.2949 -0.4168 9DOPE O31 1062 3.973 4.384 6.084 0.1032 -0.0443 -0.4212 9DOPE C31 1063 3.938 4.463 5.982 -0.1466 0.3477 -0.0371 9DOPE O32 1064 3.824 4.502 5.963 -0.4658 -0.1326 0.8216 9DOPE C32 1065 4.059 4.476 5.891 -0.2796 -0.0697 -0.2797 9DOPE H2X 1066 4.143 4.510 5.956 -0.2499 0.7830 -0.7496 9DOPE H2Y 1067 4.093 4.382 5.843 -1.3102 0.1933 -1.5769 9DOPE C23 1068 3.537 4.360 5.823 -0.3589 0.0157 0.1428 9DOPE H3R 1069 3.590 4.452 5.858 2.3955 -1.8809 1.2503 9DOPE H3S 1070 3.440 4.373 5.876 -1.4723 1.0891 -2.0300 9DOPE C24 1071 3.507 4.353 5.674 0.0418 -0.2649 0.0760 9DOPE H4R 1072 3.463 4.252 5.658 -0.1223 -0.2376 0.3566 9DOPE H4S 1073 3.603 4.357 5.618 0.4467 2.7986 0.7936 9DOPE C25 1074 3.427 4.474 5.626 0.2424 -0.3746 -0.5492 9DOPE H5R 1075 3.486 4.566 5.650 0.7170 -0.5873 -0.8896 9DOPE H5S 1076 3.330 4.473 5.681 0.6035 -0.9359 0.0892 9DOPE C26 1077 3.395 4.478 5.476 0.6259 -0.0736 -0.6260 9DOPE H6R 1078 3.488 4.510 5.426 1.4448 -0.3295 0.6711 9DOPE H6S 1079 3.327 4.566 5.466 2.1880 1.6013 2.1239 9DOPE C27 1080 3.342 4.343 5.427 0.1561 0.0561 -0.4835 9DOPE H7R 1081 3.260 4.312 5.495 -1.3665 0.6984 -1.9590 9DOPE H7S 1082 3.424 4.269 5.432 0.7432 0.7628 1.2249 9DOPE C28 1083 3.286 4.357 5.285 0.1311 0.5248 -0.4288 9DOPE H8R 1084 3.372 4.366 5.216 0.8027 -1.0203 0.1626 9DOPE H8S 1085 3.210 4.436 5.267 -1.8192 -0.9565 0.8419 9DOPE C29 1086 3.207 4.235 5.248 0.8117 0.0109 -0.1952 9DOPE H9R 1087 3.134 4.209 5.326 -0.1241 0.4456 -0.9051 9DOPE C210 1088 3.206 4.175 5.128 -0.0853 -0.2886 -0.0493 9DOPE H10R 1089 3.130 4.099 5.106 -0.9603 -0.0824 2.0548 9DOPE C211 1090 3.290 4.205 5.007 -0.2792 -0.9152 -0.3407 9DOPE H11R 1091 3.366 4.125 5.001 0.4735 -0.2192 -0.2116 9DOPE H11S 1092 3.339 4.300 5.036 -1.4082 -0.6112 0.6608 9DOPE C212 1093 3.213 4.220 4.875 -0.0365 -0.3145 -0.4154 9DOPE H12R 1094 3.183 4.327 4.874 -0.5462 -0.4350 0.7659 9DOPE H12S 1095 3.127 4.152 4.888 0.1321 -0.4498 0.0023 9DOPE C213 1096 3.306 4.196 4.756 0.6206 0.1804 -0.0138 9DOPE H13R 1097 3.363 4.102 4.772 1.8398 0.5547 -1.8271 9DOPE H13S 1098 3.377 4.281 4.751 -1.0465 1.7338 1.4856 9DOPE C214 1099 3.225 4.170 4.628 0.1196 0.6268 0.2107 9DOPE H14R 1100 3.189 4.267 4.588 -0.2230 0.2359 -0.4385 9DOPE H14S 1101 3.141 4.107 4.664 0.0113 0.5962 -0.0926 9DOPE C215 1102 3.293 4.094 4.514 -0.0698 0.9052 -0.0907 9DOPE H15R 1103 3.318 3.991 4.549 -2.8644 0.1731 0.0304 9DOPE H15S 1104 3.388 4.140 4.479 0.8946 -1.1673 -0.3966 9DOPE C216 1105 3.196 4.083 4.397 0.4076 0.1671 -0.4275 9DOPE H16R 1106 3.165 4.184 4.360 2.3206 0.9212 -0.0870 9DOPE H16S 1107 3.106 4.035 4.441 -0.7441 1.7647 -0.9176 9DOPE C217 1108 3.251 3.990 4.289 -0.1286 -0.6858 0.0267 9DOPE H17R 1109 3.265 3.894 4.343 1.0010 -0.8467 -0.5164 9DOPE H17S 1110 3.351 4.015 4.248 -1.2917 -0.9167 -3.2952 9DOPE C218 1111 3.155 3.965 4.173 -0.1668 -1.0186 0.1293 9DOPE H18R 1112 3.050 3.952 4.209 -0.6582 3.4071 0.7997 9DOPE H18S 1113 3.185 3.881 4.107 0.5995 -1.2304 0.7352 9DOPE H18T 1114 3.153 4.062 4.118 1.0664 -0.3713 1.1882 9DOPE C33 1115 4.027 4.579 5.782 -0.1718 0.3201 0.0525 9DOPE H3X 1116 4.126 4.614 5.746 -0.1584 1.3025 1.0080 9DOPE H3Y 1117 3.982 4.672 5.823 1.7847 1.5529 -0.4477 9DOPE C34 1118 3.947 4.513 5.670 0.3365 -0.6449 0.2405 9DOPE H4X 1119 4.000 4.418 5.650 -1.6704 -1.8486 0.3838 9DOPE H4Y 1120 3.844 4.487 5.702 -0.5016 0.7820 -1.0932 9DOPE C35 1121 3.956 4.594 5.540 0.0690 -0.4521 0.3408 9DOPE H5X 1122 4.063 4.615 5.522 0.1255 -0.6368 0.4663 9DOPE H5Y 1123 3.892 4.685 5.551 -0.7264 -1.1445 1.7485 9DOPE C36 1124 3.897 4.512 5.426 0.5176 -0.3034 0.0019 9DOPE H6X 1125 3.958 4.422 5.400 0.1575 -0.7749 0.7793 9DOPE H6Y 1126 3.796 4.485 5.462 0.4250 0.5638 0.4126 9DOPE C37 1127 3.872 4.593 5.299 -0.4700 0.1147 0.4582 9DOPE H7X 1128 3.791 4.668 5.314 1.0202 1.9294 -0.1328 9DOPE H7Y 1129 3.964 4.650 5.276 0.2635 -0.7779 1.1382 9DOPE C38 1130 3.837 4.503 5.180 -0.2600 0.5033 0.1006 9DOPE H8X 1131 3.823 4.568 5.091 -0.7700 -0.0613 -0.2389 9DOPE H8Y 1132 3.925 4.437 5.166 -1.8929 -1.5059 -1.1510 9DOPE C39 1133 3.711 4.423 5.195 0.1237 -0.0670 0.3158 9DOPE H9X 1134 3.643 4.452 5.276 -0.1822 -1.1607 0.4627 9DOPE C310 1135 3.677 4.314 5.125 -0.3181 -0.0802 0.5453 9DOPE H10X 1136 3.582 4.261 5.141 -0.7930 0.2693 -0.9499 9DOPE C311 1137 3.761 4.266 5.010 -0.4176 0.0727 0.4090 9DOPE H11X 1138 3.832 4.187 5.041 -0.5396 0.1072 0.7775 9DOPE H11Y 1139 3.819 4.348 4.963 -3.1218 1.8064 -0.1313 9DOPE C312 1140 3.662 4.215 4.905 0.0651 0.1455 -0.0841 9DOPE H12X 1141 3.600 4.295 4.859 -1.7021 -0.1267 1.7104 9DOPE H12Y 1142 3.594 4.143 4.955 -0.5839 0.6664 -0.2074 9DOPE C313 1143 3.730 4.129 4.798 -0.0281 0.2364 -0.2169 9DOPE H13X 1144 3.765 4.188 4.710 0.0679 0.2469 -0.1727 9DOPE H13Y 1145 3.822 4.085 4.843 -1.5551 -1.8612 1.0514 9DOPE C314 1146 3.649 4.019 4.730 -0.0056 -0.0004 0.1389 9DOPE H14X 1147 3.574 4.064 4.662 -0.0656 0.7348 0.6885 9DOPE H14Y 1148 3.592 3.955 4.801 -1.0045 1.6718 0.8946 9DOPE C315 1149 3.740 3.918 4.660 0.0887 0.2401 -0.0868 9DOPE H15X 1150 3.829 3.893 4.722 0.3242 -1.0692 -0.8952 9DOPE H15Y 1151 3.680 3.824 4.660 0.4553 0.0020 -0.1167 9DOPE C316 1152 3.785 3.955 4.519 0.4167 -0.4604 -0.1697 9DOPE H16X 1153 3.852 4.044 4.516 -0.7883 0.4537 -0.8711 9DOPE H16Y 1154 3.699 3.981 4.454 0.2626 0.5781 0.4354 9DOPE C317 1155 3.849 3.839 4.441 0.1199 -0.5876 -0.2237 9DOPE H17X 1156 3.918 3.777 4.502 0.3048 0.0749 0.2461 9DOPE H17Y 1157 3.764 3.776 4.408 0.4941 -1.0998 -0.2166 9DOPE C318 1158 3.927 3.877 4.316 -0.0164 -0.1371 -0.1743 9DOPE H18X 1159 3.865 3.943 4.251 -1.1465 -0.1343 0.8741 9DOPE H18Y 1160 4.008 3.938 4.362 -0.4039 -0.9639 1.7070 9DOPE H18Z 1161 3.972 3.794 4.257 0.6150 -0.2735 0.4840 10DOPE N 1162 3.722 2.976 6.912 0.4841 -0.3699 0.5537 10DOPE HN1 1163 3.761 3.017 6.825 -1.2809 -1.8224 -1.0287 10DOPE HN2 1164 3.766 3.002 7.003 2.8963 -0.4246 -0.5251 10DOPE HN3 1165 3.740 2.874 6.905 -0.6945 -0.6712 1.4619 10DOPE C12 1166 3.574 3.006 6.906 0.5209 -0.2082 0.4551 10DOPE H12A 1167 3.544 2.982 6.801 0.6467 -1.4310 0.6895 10DOPE H12B 1168 3.552 3.114 6.922 0.0957 -0.2608 0.2433 10DOPE C11 1169 3.492 2.932 7.012 0.3288 0.2599 0.6376 10DOPE H11A 1170 3.386 2.958 6.997 0.5046 0.7218 0.1898 10DOPE H11B 1171 3.520 2.964 7.115 -0.1344 -1.5659 1.3708 10DOPE P 1172 3.396 2.701 6.951 0.2486 -0.0495 -0.1790 10DOPE O13 1173 3.279 2.727 7.037 0.3478 0.0706 -0.0801 10DOPE O14 1174 3.436 2.559 6.948 0.6527 0.0683 -0.4898 10DOPE O11 1175 3.370 2.752 6.801 0.0366 -0.0998 -0.1591 10DOPE O12 1176 3.518 2.791 7.001 -0.1849 0.1744 0.4838 10DOPE C1 1177 3.234 2.753 6.758 -0.0824 0.4704 0.2248 10DOPE HA 1178 3.173 2.829 6.812 -0.5776 0.2763 -0.0509 10DOPE HB 1179 3.182 2.656 6.776 -2.1359 1.4295 -0.2704 10DOPE C2 1180 3.222 2.761 6.605 -0.2424 -0.2753 0.1953 10DOPE HS 1181 3.256 2.661 6.571 -0.8456 0.0162 -1.3254 10DOPE O21 1182 3.313 2.855 6.547 -0.6210 -0.3264 -0.4872 10DOPE C21 1183 3.295 2.986 6.565 -0.2749 -0.2918 -0.3966 10DOPE O22 1184 3.229 3.036 6.655 0.2952 0.0663 -0.1736 10DOPE C22 1185 3.372 3.065 6.460 -0.4091 0.1060 -0.1975 10DOPE H2R 1186 3.408 3.000 6.377 0.2379 -0.7991 0.7517 10DOPE H2S 1187 3.469 3.085 6.511 -0.5094 -1.7258 0.8003 10DOPE C3 1188 3.081 2.771 6.544 -0.2886 -0.0218 0.3418 10DOPE HX 1189 3.045 2.873 6.567 0.6531 0.3771 0.1128 10DOPE HY 1190 3.013 2.695 6.586 3.9328 -2.3737 3.7509 10DOPE O31 1191 3.087 2.751 6.402 0.0376 0.1989 0.3218 10DOPE C31 1192 3.085 2.861 6.326 -0.1919 -0.1922 -0.2419 10DOPE O32 1193 3.054 2.971 6.368 -0.6542 -0.4659 0.1355 10DOPE C32 1194 3.133 2.825 6.186 -0.4612 -0.2361 -0.3221 10DOPE H2X 1195 3.243 2.814 6.196 -0.2412 2.6505 1.5277 10DOPE H2Y 1196 3.085 2.733 6.146 1.7304 -1.0619 -1.2133 10DOPE C23 1197 3.306 3.198 6.423 -0.1123 0.3531 0.1575 10DOPE H3R 1198 3.292 3.260 6.514 2.3978 1.6876 -0.2680 10DOPE H3S 1199 3.210 3.172 6.373 0.0007 1.5587 -0.7116 10DOPE C24 1200 3.374 3.296 6.327 0.5203 -0.1253 0.1102 10DOPE H4R 1201 3.465 3.335 6.378 0.0834 -0.6722 1.3466 10DOPE H4S 1202 3.307 3.381 6.304 0.4914 -0.2738 -0.3545 10DOPE C25 1203 3.424 3.234 6.196 0.0967 0.1171 -0.1677 10DOPE H5R 1204 3.336 3.209 6.133 0.8746 -0.6082 -0.9832 10DOPE H5S 1205 3.479 3.142 6.225 -0.5081 -0.0699 0.4407 10DOPE C26 1206 3.502 3.340 6.120 0.1550 0.0733 -0.1684 10DOPE H6R 1207 3.539 3.279 6.035 1.0870 -2.5803 2.0008 10DOPE H6S 1208 3.593 3.371 6.176 -0.4110 -0.2065 0.9179 10DOPE C27 1209 3.417 3.452 6.060 -0.2612 -0.2026 -0.0916 10DOPE H7R 1210 3.382 3.524 6.138 -2.6135 -1.4297 0.0834 10DOPE H7S 1211 3.322 3.400 6.033 0.2653 -0.3301 -1.7610 10DOPE C28 1212 3.476 3.517 5.935 -0.1129 0.4934 0.3328 10DOPE H8R 1213 3.505 3.435 5.865 1.3184 1.4885 -0.2906 10DOPE H8S 1214 3.572 3.567 5.962 0.1002 0.3632 -0.1699 10DOPE C29 1215 3.388 3.617 5.866 -0.3925 -0.0050 -0.0421 10DOPE H9R 1216 3.370 3.712 5.919 0.0439 -0.5065 1.0338 10DOPE C210 1217 3.328 3.610 5.747 0.1496 -0.0395 -0.3161 10DOPE H10R 1218 3.268 3.697 5.718 -0.2071 -0.7557 -1.8807 10DOPE C211 1219 3.351 3.502 5.645 0.2208 -0.2935 -0.0344 10DOPE H11R 1220 3.288 3.415 5.671 0.9175 -0.5029 1.0221 10DOPE H11S 1221 3.456 3.468 5.662 0.6469 0.8658 -0.2192 10DOPE C212 1222 3.352 3.535 5.495 0.0448 0.2687 0.0846 10DOPE H12R 1223 3.410 3.459 5.438 0.3121 -0.6717 1.5521 10DOPE H12S 1224 3.402 3.632 5.475 -0.3487 0.5753 0.5720 10DOPE C213 1225 3.217 3.540 5.423 0.0701 0.4913 0.0520 10DOPE H13R 1226 3.151 3.618 5.468 0.1506 1.3866 -1.3391 10DOPE H13S 1227 3.175 3.440 5.449 1.8361 -0.1037 0.7606 10DOPE C214 1228 3.210 3.576 5.275 0.1134 -0.7326 -0.2600 10DOPE H14R 1229 3.291 3.518 5.226 0.7234 -0.0280 -0.1099 10DOPE H14S 1230 3.241 3.683 5.276 2.0650 -1.2591 -0.5859 10DOPE C215 1231 3.077 3.544 5.207 -0.4475 0.1011 0.4247 10DOPE H15R 1232 3.049 3.441 5.237 0.5884 -0.3938 -0.2537 10DOPE H15S 1233 3.095 3.539 5.097 1.9713 1.6004 0.6830 10DOPE C216 1234 2.965 3.643 5.241 -0.2621 0.2802 0.5124 10DOPE H16R 1235 2.941 3.651 5.350 0.1049 1.1026 0.5430 10DOPE H16S 1236 2.879 3.592 5.193 0.3030 -0.4630 0.2767 10DOPE C217 1237 2.986 3.786 5.191 0.1355 0.0552 0.0346 10DOPE H17R 1238 3.075 3.824 5.246 0.1539 -1.3317 1.0285 10DOPE H17S 1239 2.897 3.842 5.225 1.4639 0.6376 2.8497 10DOPE C218 1240 3.015 3.806 5.042 -0.2915 0.4964 0.0111 10DOPE H18R 1241 2.931 3.778 4.975 1.3661 -2.7256 -0.9233 10DOPE H18S 1242 3.095 3.735 5.013 0.3520 1.5344 -0.8139 10DOPE H18T 1243 3.039 3.912 5.020 0.2436 0.3961 0.1185 10DOPE C33 1244 3.115 2.940 6.086 0.0432 0.1313 0.0098 10DOPE H3X 1245 3.191 3.016 6.116 -0.8987 0.8599 0.6387 10DOPE H3Y 1246 3.011 2.977 6.094 -0.8062 -1.8474 -1.2634 10DOPE C34 1247 3.147 2.895 5.944 0.3308 -0.3248 0.2190 10DOPE H4X 1248 3.239 2.832 5.943 0.2674 -0.4203 -0.8906 10DOPE H4Y 1249 3.066 2.832 5.903 1.0220 -1.4196 0.4671 10DOPE C35 1250 3.175 3.017 5.856 -0.1946 -0.3350 0.0360 10DOPE H5X 1251 3.255 3.083 5.894 -0.0538 -1.3342 1.5695 10DOPE H5Y 1252 3.087 3.083 5.845 0.8019 1.2064 0.8847 10DOPE C36 1253 3.216 2.980 5.713 -0.7092 0.2769 -0.2712 10DOPE H6X 1254 3.316 2.932 5.718 -1.4609 -1.3835 -0.5503 10DOPE H6Y 1255 3.149 2.899 5.678 -0.9981 0.3201 0.1825 10DOPE C37 1256 3.211 3.094 5.611 -0.3585 0.2127 -0.3614 10DOPE H7X 1257 3.106 3.130 5.603 -0.4961 -0.1434 -0.1439 10DOPE H7Y 1258 3.276 3.176 5.650 -1.6026 0.9998 0.1322 10DOPE C38 1259 3.260 3.073 5.468 -0.2103 0.8722 -0.4144 10DOPE H8X 1260 3.356 3.018 5.462 -0.7074 0.0581 -1.3393 10DOPE H8Y 1261 3.190 3.007 5.412 -1.3581 0.7546 1.1035 10DOPE C39 1262 3.290 3.196 5.387 0.5593 1.1672 0.3181 10DOPE H9X 1263 3.372 3.253 5.436 0.1167 1.0283 1.2491 10DOPE C310 1264 3.230 3.233 5.274 -0.1498 -0.0745 0.2695 10DOPE H10X 1265 3.262 3.325 5.222 -0.9389 -0.4027 -0.8339 10DOPE C311 1266 3.116 3.155 5.215 0.3206 -0.3911 -0.2308 10DOPE H11X 1267 3.083 3.064 5.269 1.2099 0.2086 1.4139 10DOPE H11Y 1268 3.021 3.213 5.218 0.3713 -0.3554 1.9148 10DOPE C312 1269 3.151 3.117 5.071 -0.0355 0.0971 -0.4491 10DOPE H12X 1270 3.073 3.047 5.033 0.0766 0.0210 -0.5395 10DOPE H12Y 1271 3.252 3.071 5.061 0.2252 0.4489 0.4314 10DOPE C313 1272 3.150 3.246 4.988 0.0886 0.5975 0.3207 10DOPE H13X 1273 3.056 3.297 5.020 1.1359 2.4128 0.6409 10DOPE H13Y 1274 3.236 3.308 5.021 1.0440 0.4338 -1.7247 10DOPE C314 1275 3.158 3.217 4.838 -0.1325 -0.0919 0.4398 10DOPE H14X 1276 3.130 3.315 4.794 1.7109 0.5830 0.6843 10DOPE H14Y 1277 3.080 3.141 4.814 -0.5126 1.2245 -2.8817 10DOPE C315 1278 3.293 3.164 4.791 -0.0679 0.4440 0.0277 10DOPE H15X 1279 3.340 3.103 4.871 1.7456 0.6311 -0.8430 10DOPE H15Y 1280 3.373 3.240 4.773 0.3330 -0.0176 -0.1629 10DOPE C316 1281 3.278 3.076 4.666 0.0390 0.1955 0.1903 10DOPE H16X 1282 3.204 2.995 4.687 0.2834 0.2044 1.1607 10DOPE H16Y 1283 3.373 3.023 4.643 0.3510 1.6001 -2.0095 10DOPE C317 1284 3.236 3.143 4.535 -0.2833 0.3452 0.3671 10DOPE H17X 1285 3.305 3.219 4.493 1.0339 -0.5403 0.8273 10DOPE H17Y 1286 3.140 3.198 4.540 -0.2732 0.9231 -3.1509 10DOPE C318 1287 3.235 3.035 4.426 0.1669 -0.0387 0.7352 10DOPE H18X 1288 3.183 3.061 4.331 -1.7659 -0.2762 1.6658 10DOPE H18Y 1289 3.343 3.014 4.412 0.2963 -1.1584 2.9103 10DOPE H18Z 1290 3.183 2.946 4.469 0.0977 -0.1455 0.4295 11DOPE N 1291 0.836 0.403 6.757 0.0637 0.0636 -0.1713 11DOPE HN1 1292 0.812 0.486 6.814 2.1765 0.4824 0.2075 11DOPE HN2 1293 0.824 0.432 6.658 -0.5819 1.2190 0.2230 11DOPE HN3 1294 0.776 0.323 6.785 -1.7481 1.1082 -0.8864 11DOPE C12 1295 0.978 0.377 6.801 0.1052 0.3343 -0.1433 11DOPE H12A 1296 0.971 0.335 6.904 2.9524 0.2426 0.0872 11DOPE H12B 1297 1.029 0.475 6.789 -0.5477 0.9335 1.6159 11DOPE C11 1298 1.042 0.279 6.703 -0.0431 0.2087 -0.1153 11DOPE H11A 1299 0.983 0.185 6.704 -4.1831 2.5489 -0.6710 11DOPE H11B 1300 1.147 0.268 6.738 0.2820 -1.3096 -1.4591 11DOPE P 1301 1.123 0.254 6.456 0.0945 0.1772 0.1504 11DOPE O13 1302 1.170 0.125 6.513 -0.1418 -0.0028 -0.0578 11DOPE O14 1303 1.232 0.335 6.397 0.1788 0.1310 0.2418 11DOPE O11 1304 1.010 0.228 6.347 0.0186 -0.3263 0.3449 11DOPE O12 1305 1.037 0.328 6.569 -0.2136 0.2116 -0.1074 11DOPE C1 1306 1.036 0.161 6.223 -0.0012 -0.0705 0.2029 11DOPE HA 1307 0.961 0.080 6.211 -2.1163 1.8715 -0.5134 11DOPE HB 1308 1.131 0.104 6.231 0.6233 0.6777 -1.4227 11DOPE C2 1309 1.035 0.257 6.102 0.2784 -0.1961 0.1000 11DOPE HS 1310 1.102 0.343 6.119 0.0062 1.3259 -4.9934 11DOPE O21 1311 0.907 0.319 6.085 0.6045 0.3943 -0.2043 11DOPE C21 1312 0.898 0.422 6.000 -0.2866 0.2200 -0.3333 11DOPE O22 1313 0.997 0.476 5.953 0.5156 -0.6847 0.2532 11DOPE C22 1314 0.753 0.466 5.990 -0.3438 0.2551 0.5614 11DOPE H2R 1315 0.726 0.530 6.077 1.1497 1.0284 0.4949 11DOPE H2S 1316 0.683 0.380 5.993 2.3713 -2.1346 3.5650 11DOPE C3 1317 1.082 0.182 5.976 0.1556 -0.3841 0.1647 11DOPE HX 1318 1.007 0.106 5.946 -3.5311 3.1799 -0.6170 11DOPE HY 1319 1.163 0.116 6.013 -0.9778 -1.1111 1.4040 11DOPE O31 1320 1.128 0.254 5.861 0.3416 -0.1853 0.3608 11DOPE C31 1321 1.246 0.315 5.868 0.2483 0.0146 0.1943 11DOPE O32 1322 1.316 0.318 5.967 0.0957 -0.1685 0.3085 11DOPE C32 1323 1.273 0.380 5.733 0.0131 -0.2150 0.0340 11DOPE H2X 1324 1.259 0.305 5.653 0.0600 -0.3254 0.1299 11DOPE H2Y 1325 1.194 0.457 5.722 0.3886 0.7122 2.8663 11DOPE C23 1326 0.728 0.541 5.859 -0.0284 -0.1437 0.2677 11DOPE H3R 1327 0.763 0.463 5.788 2.2248 -0.4247 1.5826 11DOPE H3S 1328 0.800 0.623 5.837 0.9888 -0.4024 2.3613 11DOPE C24 1329 0.583 0.587 5.843 0.0482 -0.0162 -0.0840 11DOPE H4R 1330 0.558 0.671 5.912 -1.5131 0.4118 -1.1164 11DOPE H4S 1331 0.521 0.503 5.882 -0.9977 1.1275 0.8139 11DOPE C25 1332 0.538 0.631 5.704 -0.1726 -0.3178 -0.1110 11DOPE H5R 1333 0.581 0.733 5.689 -1.1429 -0.2854 -3.4514 11DOPE H5S 1334 0.427 0.636 5.703 -0.1718 -0.3274 -0.5266 11DOPE C26 1335 0.583 0.535 5.594 -0.2383 -0.0681 -0.3598 11DOPE H6R 1336 0.547 0.436 5.630 -0.4880 -0.2024 -0.9634 11DOPE H6S 1337 0.694 0.531 5.586 -0.0432 1.3291 1.2066 11DOPE C27 1338 0.511 0.549 5.460 0.3739 -0.2599 -0.7107 11DOPE H7R 1339 0.555 0.631 5.399 -1.3256 0.3022 -1.2354 11DOPE H7S 1340 0.407 0.587 5.469 -0.1862 -1.8624 -0.0719 11DOPE C28 1341 0.493 0.412 5.395 -0.1182 -0.3260 -0.4344 11DOPE H8R 1342 0.435 0.354 5.471 -1.4909 0.7500 -0.6075 11DOPE H8S 1343 0.591 0.365 5.374 0.3634 0.1103 0.7566 11DOPE C29 1344 0.411 0.435 5.272 -0.5945 -0.3869 -0.1332 11DOPE H9R 1345 0.335 0.515 5.261 -1.1456 -0.9369 -0.3924 11DOPE C210 1346 0.426 0.373 5.154 0.5708 -0.0330 -0.1843 11DOPE H10R 1347 0.371 0.410 5.066 1.3294 1.2591 -0.1323 11DOPE C211 1348 0.508 0.251 5.122 -0.1497 -0.4441 -0.4869 11DOPE H11R 1349 0.447 0.171 5.073 0.7322 -1.4671 0.0613 11DOPE H11S 1350 0.551 0.214 5.217 2.2510 -0.1288 -1.3904 11DOPE C212 1351 0.614 0.290 5.020 -0.1229 0.0331 -0.2791 11DOPE H12R 1352 0.676 0.372 5.064 -1.6773 1.3174 -0.3866 11DOPE H12S 1353 0.563 0.331 4.930 -1.0879 0.5279 0.4714 11DOPE C213 1354 0.717 0.186 4.976 -0.6334 -0.4609 -0.3038 11DOPE H13R 1355 0.667 0.094 4.937 -0.3567 -0.8303 0.1997 11DOPE H13S 1356 0.775 0.158 5.066 1.2257 -0.1257 -1.3511 11DOPE C214 1357 0.813 0.241 4.871 -0.6220 -0.5459 -0.3384 11DOPE H14R 1358 0.884 0.321 4.900 -0.6479 -0.6216 -0.0634 11DOPE H14S 1359 0.762 0.269 4.776 0.1850 -0.0374 -0.6381 11DOPE C215 1360 0.905 0.126 4.827 -0.1500 -0.4790 0.4649 11DOPE H15R 1361 0.948 0.077 4.917 1.2071 -0.1087 0.0432 11DOPE H15S 1362 0.996 0.165 4.776 0.2520 -0.5433 1.1155 11DOPE C216 1363 0.831 0.033 4.731 -0.2534 0.3111 -0.2359 11DOPE H16R 1364 0.778 0.095 4.656 -0.0320 -1.4330 -1.9023 11DOPE H16S 1365 0.765 -0.033 4.792 1.8056 0.4323 2.3176 11DOPE C217 1366 0.922 -0.041 4.633 0.2502 0.5150 0.0751 11DOPE H17R 1367 0.972 -0.119 4.695 0.3459 -0.0212 -0.6686 11DOPE H17S 1368 1.008 0.027 4.613 0.0734 1.0221 0.9499 11DOPE C218 1369 0.853 -0.100 4.511 0.6470 0.9185 -0.3469 11DOPE H18R 1370 0.779 -0.177 4.542 1.6731 0.5399 1.2344 11DOPE H18S 1371 0.919 -0.150 4.437 -0.7346 -0.0505 -0.9738 11DOPE H18T 1372 0.792 -0.024 4.456 -1.0672 0.1626 0.4309 11DOPE C33 1373 1.409 0.450 5.717 0.2751 -0.7230 0.0383 11DOPE H3X 1374 1.475 0.368 5.753 -1.6644 -2.7085 -0.6551 11DOPE H3Y 1375 1.400 0.540 5.781 1.1016 0.4031 -1.3888 11DOPE C34 1376 1.423 0.493 5.571 0.5954 0.1957 0.3351 11DOPE H4X 1377 1.375 0.425 5.497 0.9259 -0.1291 0.4177 11DOPE H4Y 1378 1.384 0.594 5.547 -1.2468 -0.6532 -0.4258 11DOPE C35 1379 1.570 0.496 5.530 0.3063 0.3051 -0.7387 11DOPE H5X 1380 1.612 0.396 5.556 -2.7716 -0.4692 1.9127 11DOPE H5Y 1381 1.613 0.576 5.595 0.2519 -0.7068 0.5952 11DOPE C36 1382 1.582 0.522 5.380 -0.1898 -0.3650 -0.8971 11DOPE H6X 1383 1.518 0.451 5.323 0.8585 -0.7125 -1.6766 11DOPE H6Y 1384 1.550 0.628 5.370 1.6181 0.5638 2.0379 11DOPE C37 1385 1.723 0.513 5.321 -0.1640 0.0595 -0.9051 11DOPE H7X 1386 1.747 0.405 5.305 -1.8533 -0.2081 -1.9158 11DOPE H7Y 1387 1.725 0.557 5.219 -0.3133 -0.9997 -1.3788 11DOPE C38 1388 1.829 0.579 5.409 -0.7240 -0.0228 -0.1539 11DOPE H8X 1389 1.796 0.677 5.450 -0.7202 -0.2857 0.4836 11DOPE H8Y 1390 1.835 0.517 5.501 0.6177 -0.4096 -0.4848 11DOPE C39 1391 1.959 0.584 5.334 -0.4972 -0.2982 0.2214 11DOPE H9X 1392 1.972 0.501 5.263 0.3236 -0.5348 0.6316 11DOPE C310 1393 2.054 0.678 5.345 -0.7689 -0.0014 0.0444 11DOPE H10X 1394 2.142 0.677 5.280 -0.0538 -0.6548 1.0008 11DOPE C311 1395 2.055 0.803 5.429 -0.5448 -0.5714 0.9103 11DOPE H11X 1396 2.024 0.891 5.367 -1.0918 -0.4891 1.2990 11DOPE H11Y 1397 1.979 0.791 5.508 -1.8605 0.1058 -0.1968 11DOPE C312 1398 2.183 0.834 5.507 -0.4604 -0.0383 0.5703 11DOPE H12X 1399 2.275 0.829 5.444 -0.9259 0.6313 -0.1873 11DOPE H12Y 1400 2.177 0.750 5.580 -0.5648 -0.6207 -0.0961 11DOPE C313 1401 2.180 0.967 5.582 1.1633 0.3185 0.0424 11DOPE H13X 1402 2.246 0.983 5.670 -0.0886 0.1005 1.0503 11DOPE H13Y 1403 2.078 0.968 5.626 1.2675 -0.1493 0.3081 11DOPE C314 1404 2.198 1.088 5.490 -0.1164 0.4783 -0.0106 11DOPE H14X 1405 2.243 1.047 5.398 -2.2716 -0.3674 -0.7450 11DOPE H14Y 1406 2.098 1.128 5.463 0.1756 1.2243 -0.0069 11DOPE C315 1407 2.283 1.202 5.548 0.2435 0.4529 -0.4866 11DOPE H15X 1408 2.290 1.281 5.470 -0.1198 -1.1489 -2.2461 11DOPE H15Y 1409 2.378 1.155 5.582 -0.8916 -1.6121 0.0249 11DOPE C316 1410 2.220 1.258 5.675 -0.2148 0.0394 -0.5269 11DOPE H16X 1411 2.112 1.280 5.662 -0.5611 -0.3604 1.2686 11DOPE H16Y 1412 2.226 1.191 5.764 0.6917 -1.3895 -1.6067 11DOPE C317 1413 2.292 1.387 5.716 0.0245 -0.2436 -0.0382 11DOPE H17X 1414 2.262 1.457 5.635 2.8051 -0.8601 -1.7468 11DOPE H17Y 1415 2.399 1.358 5.714 -0.4524 -2.4467 1.7623 11DOPE C318 1416 2.277 1.449 5.855 -0.0539 0.2730 -0.2769 11DOPE H18X 1417 2.291 1.387 5.945 -2.5734 0.7244 0.5059 11DOPE H18Y 1418 2.359 1.524 5.864 0.6332 -0.6741 2.0328 11DOPE H18Z 1419 2.180 1.501 5.863 0.1878 0.8297 -0.8495 12DOPE N 1420 4.108 2.432 6.878 -0.4615 0.1524 0.0385 12DOPE HN1 1421 4.029 2.475 6.825 0.6681 2.4989 0.1099 12DOPE HN2 1422 4.173 2.511 6.895 -2.3275 2.5254 -2.7997 12DOPE HN3 1423 4.159 2.359 6.825 0.7476 0.3187 0.9423 12DOPE C12 1424 4.048 2.381 7.006 -0.2339 -0.4485 -0.0934 12DOPE H12A 1425 3.996 2.467 7.052 0.4697 0.3855 -0.8256 12DOPE H12B 1426 4.132 2.353 7.074 0.2394 -1.5464 -1.0987 12DOPE C11 1427 3.952 2.263 6.985 -0.1768 -0.5417 0.1560 12DOPE H11A 1428 3.895 2.235 7.075 -1.3528 -1.2385 -0.7891 12DOPE H11B 1429 4.028 2.187 6.954 2.2968 1.4041 1.0515 12DOPE P 1430 3.752 2.181 6.835 0.0208 -0.2948 -0.1397 12DOPE O13 1431 3.618 2.225 6.878 0.3621 0.6703 -0.0156 12DOPE O14 1432 3.788 2.047 6.885 -0.4451 -0.1342 0.6413 12DOPE O11 1433 3.762 2.182 6.675 0.2426 0.3358 -0.1261 12DOPE O12 1434 3.860 2.291 6.879 -0.2611 -0.2000 0.3179 12DOPE C1 1435 3.890 2.164 6.613 0.1815 -0.3398 -0.0644 12DOPE HA 1436 3.926 2.062 6.635 -0.3705 -0.4096 0.5512 12DOPE HB 1437 3.963 2.243 6.638 -1.8732 0.7955 2.8240 12DOPE C2 1438 3.875 2.176 6.460 -0.7234 -0.2532 0.0252 12DOPE HS 1439 3.847 2.279 6.428 3.5693 1.1842 0.2622 12DOPE O21 1440 3.789 2.072 6.413 -0.1079 -0.6979 -0.1312 12DOPE C21 1441 3.684 2.114 6.342 0.0887 0.0380 0.0019 12DOPE O22 1442 3.663 2.230 6.312 -0.0274 0.0418 0.0925 12DOPE C22 1443 3.587 2.003 6.302 0.0457 0.1224 -0.1255 12DOPE H2R 1444 3.488 2.053 6.307 -0.2252 -0.4066 -0.2054 12DOPE H2S 1445 3.599 1.918 6.372 -3.0341 -0.5438 -0.2828 12DOPE C3 1446 4.013 2.152 6.397 -0.8861 -0.8424 -0.1076 12DOPE HX 1447 4.035 2.043 6.409 -2.7781 -1.0266 2.5278 12DOPE HY 1448 4.088 2.209 6.456 -1.2415 -0.3776 -0.1033 12DOPE O31 1449 4.007 2.190 6.260 0.6174 -0.0841 0.0102 12DOPE C31 1450 3.995 2.088 6.174 0.0313 0.4108 -0.5084 12DOPE O32 1451 3.995 1.969 6.202 0.2435 0.5303 0.0065 12DOPE C32 1452 3.996 2.132 6.028 0.0412 -0.3031 -0.7255 12DOPE H2X 1453 3.910 2.196 5.998 0.9935 0.7820 -1.1966 12DOPE H2Y 1454 4.093 2.182 6.007 -0.4394 1.6153 1.2339 12DOPE C23 1455 3.614 1.951 6.160 -0.1288 0.2336 -0.2005 12DOPE H3R 1456 3.563 1.853 6.149 -0.1341 0.2484 -0.3095 12DOPE H3S 1457 3.724 1.938 6.158 -0.0088 0.5246 1.8375 12DOPE C24 1458 3.573 2.040 6.042 0.0235 0.2012 -0.2767 12DOPE H4R 1459 3.617 2.141 6.057 0.5844 -0.2421 1.3171 12DOPE H4S 1460 3.462 2.042 6.038 0.0575 -0.0853 -2.5012 12DOPE C25 1461 3.614 1.983 5.906 0.6940 -0.3491 0.1438 12DOPE H5R 1462 3.708 1.924 5.910 0.8326 -0.1020 3.2939 12DOPE H5S 1463 3.633 2.071 5.840 1.5726 -0.4122 0.3057 12DOPE C26 1464 3.514 1.888 5.840 0.7601 -0.3873 0.0972 12DOPE H6R 1465 3.422 1.949 5.822 0.1445 -1.5165 -0.7049 12DOPE H6S 1466 3.484 1.810 5.913 -2.0787 2.1672 1.9584 12DOPE C27 1467 3.563 1.817 5.714 0.3098 0.1241 -0.3737 12DOPE H7R 1468 3.659 1.764 5.733 -0.2230 -0.5644 0.4791 12DOPE H7S 1469 3.584 1.890 5.633 -1.7796 -0.3105 -1.3663 12DOPE C28 1470 3.458 1.713 5.675 0.4417 -0.0859 -0.1754 12DOPE H8R 1471 3.357 1.758 5.659 0.4245 -0.3270 -0.7657 12DOPE H8S 1472 3.447 1.649 5.765 -0.6417 0.2907 -0.0198 12DOPE C29 1473 3.518 1.637 5.560 0.5232 -0.5091 0.1477 12DOPE H9R 1474 3.604 1.572 5.583 1.5019 -0.4775 -2.9451 12DOPE C210 1475 3.470 1.616 5.437 0.1151 0.3682 0.1498 12DOPE H10R 1476 3.519 1.545 5.368 -2.2659 1.2208 -2.6093 12DOPE C211 1477 3.357 1.685 5.365 0.1741 0.5341 0.2170 12DOPE H11R 1478 3.320 1.773 5.421 2.5334 1.0163 1.1706 12DOPE H11S 1479 3.272 1.614 5.367 0.3540 0.3262 0.5269 12DOPE C212 1480 3.386 1.721 5.219 0.0946 -0.1097 0.0401 12DOPE H12R 1481 3.304 1.789 5.190 0.0173 -0.4148 -0.4666 12DOPE H12S 1482 3.386 1.631 5.154 0.2346 -0.8245 0.9968 12DOPE C213 1483 3.519 1.796 5.207 0.1164 -0.1816 -0.1805 12DOPE H13R 1484 3.605 1.727 5.220 -1.4750 -2.0215 1.1719 12DOPE H13S 1485 3.526 1.879 5.282 -0.5119 -0.1083 -0.1983 12DOPE C214 1486 3.526 1.870 5.073 -0.8843 0.3479 0.0460 12DOPE H14R 1487 3.619 1.929 5.079 -1.1904 0.7355 1.3837 12DOPE H14S 1488 3.443 1.944 5.079 -0.3134 1.0512 -0.6843 12DOPE C215 1489 3.526 1.776 4.953 0.8617 0.5258 -0.1063 12DOPE H15R 1490 3.425 1.732 4.943 0.2034 1.2457 2.6819 12DOPE H15S 1491 3.593 1.690 4.977 1.8399 0.5909 -2.2723 12DOPE C216 1492 3.564 1.826 4.813 0.0757 0.3708 -0.3806 12DOPE H16R 1493 3.490 1.898 4.774 0.4930 -0.3507 -2.6552 12DOPE H16S 1494 3.571 1.737 4.747 -0.9048 -0.3977 0.5272 12DOPE C217 1495 3.694 1.906 4.801 0.1893 0.2453 -0.0122 12DOPE H17R 1496 3.702 2.007 4.846 0.5783 0.9476 -1.5729 12DOPE H17S 1497 3.715 1.919 4.692 0.6740 -2.2721 -0.3014 12DOPE C218 1498 3.818 1.828 4.846 0.0454 0.1219 0.1690 12DOPE H18R 1499 3.910 1.884 4.821 -0.4212 0.1337 -1.6381 12DOPE H18S 1500 3.818 1.730 4.794 0.3565 0.4577 -0.4788 12DOPE H18T 1501 3.807 1.811 4.956 -0.3328 -0.2252 0.0792 12DOPE C33 1502 3.993 2.008 5.939 -0.5061 -0.7391 -0.1144 12DOPE H3X 1503 3.905 1.943 5.962 -2.4794 1.0316 -2.2146 12DOPE H3Y 1504 4.076 1.937 5.960 -1.2354 -1.4904 0.3184 12DOPE C34 1505 3.984 2.040 5.789 -0.2300 -0.2974 -0.0369 12DOPE H4X 1506 4.088 2.067 5.760 -0.8601 2.0437 -0.3145 12DOPE H4Y 1507 3.913 2.122 5.767 1.1027 0.8103 -0.3127 12DOPE C35 1508 3.939 1.924 5.700 -0.0575 -0.3337 -0.0780 12DOPE H5X 1509 3.832 1.902 5.723 0.1180 0.3554 1.5537 12DOPE H5Y 1510 4.014 1.846 5.724 1.3907 1.2132 0.6023 12DOPE C36 1511 3.941 1.965 5.553 -0.2758 -0.2276 -0.0521 12DOPE H6X 1512 4.041 2.002 5.523 0.1945 -1.5165 -0.1449 12DOPE H6Y 1513 3.917 1.871 5.498 -0.9432 -0.7777 1.1318 12DOPE C37 1514 3.828 2.055 5.504 0.0382 0.3422 0.2655 12DOPE H7X 1515 3.732 2.024 5.549 -0.3809 0.8917 -0.2272 12DOPE H7Y 1516 3.835 2.163 5.529 0.8553 -0.1083 2.0937 12DOPE C38 1517 3.805 2.056 5.352 0.5165 0.5576 0.1923 12DOPE H8X 1518 3.799 1.950 5.320 1.8920 0.7228 -0.7153 12DOPE H8Y 1519 3.705 2.097 5.326 -0.9843 -2.0815 1.4013 12DOPE C39 1520 3.915 2.112 5.266 0.1711 0.6781 -0.1727 12DOPE H9X 1521 4.017 2.095 5.304 -1.2639 -1.1409 3.3788 12DOPE C310 1522 3.894 2.180 5.153 0.1608 -0.0241 -0.6005 12DOPE H10X 1523 3.986 2.211 5.099 -0.1755 0.4656 -0.9037 12DOPE C311 1524 3.760 2.211 5.093 -0.5254 -0.3360 0.7427 12DOPE H11X 1525 3.672 2.166 5.143 -2.2186 0.1659 -1.6018 12DOPE H11Y 1526 3.764 2.185 4.985 -1.5729 1.5754 0.2015 12DOPE C312 1527 3.738 2.363 5.087 -0.3039 -0.3080 0.6317 12DOPE H12X 1528 3.822 2.415 5.035 0.5039 -2.4098 -0.3063 12DOPE H12Y 1529 3.706 2.401 5.186 0.6057 -1.1933 1.2917 12DOPE C313 1530 3.604 2.395 5.021 0.0458 0.1964 0.1585 12DOPE H13X 1531 3.598 2.506 5.025 0.8183 0.2598 -0.2545 12DOPE H13Y 1532 3.520 2.343 5.072 0.5370 -1.3547 -0.5458 12DOPE C314 1533 3.583 2.343 4.879 0.1224 0.7865 -0.0728 12DOPE H14X 1534 3.576 2.232 4.883 2.5623 0.5727 0.1567 12DOPE H14Y 1535 3.482 2.377 4.850 0.1315 2.1392 1.3815 12DOPE C315 1536 3.684 2.376 4.768 -0.0362 0.1431 -0.4147 12DOPE H15X 1537 3.788 2.357 4.801 -0.7647 -1.3759 1.1986 12DOPE H15Y 1538 3.679 2.479 4.726 2.9554 1.2884 1.6889 12DOPE C316 1539 3.662 2.274 4.656 0.4828 -0.2748 -0.1349 12DOPE H16X 1540 3.684 2.170 4.691 -0.4772 -0.3514 0.2649 12DOPE H16Y 1541 3.556 2.276 4.624 0.3074 0.7512 0.4651 12DOPE C317 1542 3.755 2.311 4.541 0.2493 -0.9068 -0.5302 12DOPE H17X 1543 3.781 2.225 4.475 2.6167 -0.1998 -0.6330 12DOPE H17Y 1544 3.849 2.353 4.584 0.1291 -1.0924 -0.0886 12DOPE C318 1545 3.694 2.413 4.444 0.3060 0.0559 0.4309 12DOPE H18X 1546 3.684 2.512 4.494 -1.6260 -0.1250 0.4851 12DOPE H18Y 1547 3.769 2.434 4.365 -0.4516 1.1543 -0.0044 12DOPE H18Z 1548 3.601 2.379 4.393 -1.0850 -0.2096 2.9648 13DOPE N 1549 4.792 3.647 6.243 0.1979 -0.2693 0.0387 13DOPE HN1 1550 4.860 3.572 6.265 2.7256 1.9309 0.3494 13DOPE HN2 1551 4.823 3.739 6.283 3.0610 0.1704 -2.7604 13DOPE HN3 1552 4.696 3.620 6.271 -1.2202 0.2834 -3.7033 13DOPE C12 1553 4.796 3.679 6.095 -0.2919 0.0203 0.0855 13DOPE H12A 1554 4.748 3.593 6.044 -0.5961 0.7848 -0.9369 13DOPE H12B 1555 4.901 3.692 6.063 -0.5917 2.1028 -0.1339 13DOPE C11 1556 4.720 3.808 6.068 0.2951 0.3671 0.0732 13DOPE H11A 1557 4.616 3.794 6.104 0.5637 1.5149 1.3842 13DOPE H11B 1558 4.719 3.821 5.957 -0.8088 0.2896 0.0573 13DOPE P 1559 4.701 4.055 6.120 -0.1786 -0.0526 0.0960 13DOPE O13 1560 4.781 4.164 6.180 -0.2082 -0.1800 0.3639 13DOPE O14 1561 4.567 4.023 6.174 -0.4731 0.3591 -0.3719 13DOPE O11 1562 4.675 4.082 5.964 -0.0568 -0.0715 0.0718 13DOPE O12 1563 4.783 3.918 6.133 0.2642 0.2325 0.3318 13DOPE C1 1564 4.626 4.206 5.913 -0.0642 -0.1538 -0.1195 13DOPE HA 1565 4.637 4.202 5.802 -0.6787 0.2298 -0.2014 13DOPE HB 1566 4.696 4.286 5.945 -0.0134 -0.8725 1.6651 13DOPE C2 1567 4.482 4.244 5.951 0.1874 0.0024 0.6904 13DOPE HS 1568 4.485 4.243 6.062 1.4022 -0.0588 0.6634 13DOPE O21 1569 4.390 4.147 5.900 -0.0299 0.1037 0.8882 13DOPE C21 1570 4.263 4.175 5.933 -0.3194 0.2833 -0.3437 13DOPE O22 1571 4.221 4.249 6.020 -0.2355 0.2993 -0.3171 13DOPE C22 1572 4.178 4.078 5.852 0.1655 -0.3105 -0.1492 13DOPE H2R 1573 4.077 4.074 5.897 -0.4804 -0.8910 -1.5952 13DOPE H2S 1574 4.224 3.978 5.863 -0.1257 -0.3776 0.4560 13DOPE C3 1575 4.451 4.388 5.906 -0.0820 -0.2680 0.0021 13DOPE HX 1576 4.554 4.424 5.922 0.9425 -3.0208 0.2358 13DOPE HY 1577 4.382 4.435 5.979 -0.8449 -0.6835 -0.4324 13DOPE O31 1578 4.412 4.393 5.768 0.2034 0.1567 -0.0635 13DOPE C31 1579 4.430 4.515 5.717 -0.6018 0.2215 -0.2131 13DOPE O32 1580 4.474 4.612 5.776 -0.1334 -0.0862 -0.0418 13DOPE C32 1581 4.391 4.516 5.570 0.0368 -0.5356 -0.4001 13DOPE H2X 1582 4.373 4.416 5.527 -2.5528 -0.1971 -0.2372 13DOPE H2Y 1583 4.302 4.579 5.547 0.3549 -0.2293 -0.8072 13DOPE C23 1584 4.168 4.118 5.704 0.0467 -0.7619 -0.2616 13DOPE H3R 1585 4.271 4.134 5.668 -0.0253 -0.5905 -0.3900 13DOPE H3S 1586 4.124 4.218 5.684 0.2130 -0.8548 -1.1008 13DOPE C24 1587 4.111 4.005 5.617 -0.2466 -1.0112 0.2444 13DOPE H4R 1588 4.005 4.003 5.649 -0.3561 3.8338 0.9078 13DOPE H4S 1589 4.156 3.907 5.643 0.2860 -0.6625 0.6900 13DOPE C25 1590 4.108 4.038 5.468 -0.4599 -0.1148 0.4419 13DOPE H5R 1591 4.033 3.964 5.435 0.2931 -0.0289 -1.6251 13DOPE H5S 1592 4.204 4.024 5.413 -1.5185 -0.6462 -1.3693 13DOPE C26 1593 4.032 4.166 5.431 -0.1634 -0.0253 0.1371 13DOPE H6R 1594 4.103 4.246 5.462 1.9105 -2.3347 1.7570 13DOPE H6S 1595 3.932 4.169 5.480 -0.3077 -2.4651 0.1046 13DOPE C27 1596 3.994 4.162 5.283 -0.2476 0.0669 0.1564 13DOPE H7R 1597 3.948 4.261 5.262 0.8920 0.1157 -2.5021 13DOPE H7S 1598 3.919 4.081 5.271 -0.7788 0.5149 0.3491 13DOPE C28 1599 4.121 4.162 5.198 -0.3830 0.4779 -0.0545 13DOPE H8R 1600 4.173 4.064 5.210 1.2948 1.4401 0.8526 13DOPE H8S 1601 4.180 4.251 5.228 -1.4969 1.0249 0.6110 13DOPE C29 1602 4.087 4.190 5.055 0.2796 0.2287 -0.2645 13DOPE H9R 1603 4.051 4.293 5.037 1.1910 1.1749 2.7954 13DOPE C210 1604 4.104 4.101 4.956 0.2298 0.0918 -0.1498 13DOPE H10R 1605 4.060 4.126 4.859 -0.3154 1.8945 0.5279 13DOPE C211 1606 4.161 3.962 4.968 0.3211 0.1130 -0.3388 13DOPE H11R 1607 4.207 3.938 5.066 0.2932 -1.6670 -0.7367 13DOPE H11S 1608 4.234 3.942 4.887 1.0429 0.9319 0.0960 13DOPE C212 1609 4.044 3.866 4.945 0.2629 0.0256 0.3065 13DOPE H12R 1610 3.999 3.892 4.847 1.7293 -0.5145 -0.5565 13DOPE H12S 1611 3.972 3.879 5.028 1.7289 -2.3935 2.0958 13DOPE C213 1612 4.085 3.718 4.950 0.5251 0.0791 -0.1629 13DOPE H13R 1613 4.143 3.712 5.045 1.3885 0.0542 -0.6830 13DOPE H13S 1614 4.150 3.706 4.861 -0.2980 0.4156 -0.8096 13DOPE C214 1615 3.967 3.622 4.950 0.1030 0.5930 -0.0409 13DOPE H14R 1616 3.921 3.627 5.051 0.7711 1.7926 0.2217 13DOPE H14S 1617 3.995 3.515 4.938 1.7715 0.7474 1.9275 13DOPE C215 1618 3.864 3.655 4.841 -0.6667 -0.0676 0.4690 13DOPE H15R 1619 3.922 3.691 4.753 0.7648 -2.0975 0.4975 13DOPE H15S 1620 3.793 3.739 4.853 -0.9748 -0.1167 -0.9050 13DOPE C216 1621 3.794 3.530 4.788 0.0960 -0.2215 -0.1964 13DOPE H16R 1622 3.875 3.462 4.753 1.1672 2.1087 -2.6448 13DOPE H16S 1623 3.730 3.483 4.865 1.0208 -0.9568 0.1401 13DOPE C217 1624 3.700 3.560 4.671 -0.3909 0.4613 0.3599 13DOPE H17R 1625 3.756 3.625 4.600 -1.3538 0.1684 -0.6986 13DOPE H17S 1626 3.620 3.634 4.693 -0.5522 0.0882 1.0254 13DOPE C218 1627 3.647 3.437 4.598 0.5029 0.2115 0.1158 13DOPE H18R 1628 3.721 3.355 4.590 -0.1626 -0.3487 -0.4303 13DOPE H18S 1629 3.611 3.459 4.495 -1.3808 1.3807 0.9777 13DOPE H18T 1630 3.570 3.385 4.659 -0.8747 1.5961 -0.3614 13DOPE C33 1631 4.506 4.586 5.497 0.3878 -0.3769 0.2929 13DOPE H3X 1632 4.603 4.533 5.504 1.6953 1.8205 -0.1939 13DOPE H3Y 1633 4.512 4.696 5.516 -3.9133 0.1112 -0.1487 13DOPE C34 1634 4.489 4.568 5.346 0.1590 -0.4953 0.3321 13DOPE H4X 1635 4.580 4.611 5.299 -0.5405 -0.6045 -1.1932 13DOPE H4Y 1636 4.468 4.465 5.309 -0.0191 -0.0643 -0.8088 13DOPE C35 1637 4.366 4.647 5.302 0.6102 -0.0353 -0.1281 13DOPE H5X 1638 4.381 4.756 5.319 2.5327 0.1913 -2.6878 13DOPE H5Y 1639 4.272 4.625 5.357 0.0609 -0.1511 -1.0829 13DOPE C36 1640 4.346 4.615 5.154 0.0189 -0.5314 0.0530 13DOPE H6X 1641 4.445 4.609 5.104 -0.1538 -0.3584 -0.3189 13DOPE H6Y 1642 4.293 4.519 5.136 1.4732 -1.7698 2.0433 13DOPE C37 1643 4.268 4.722 5.077 -0.5242 -0.6778 0.4003 13DOPE H7X 1644 4.173 4.742 5.132 -1.0597 1.7940 -1.2513 13DOPE H7Y 1645 4.318 4.820 5.090 -2.6430 0.3473 1.4766 13DOPE C38 1646 4.252 4.698 4.927 0.1211 -0.0480 0.2245 13DOPE H8X 1647 4.349 4.702 4.874 0.2062 -1.5317 0.2374 13DOPE H8Y 1648 4.221 4.592 4.913 -0.5599 0.2624 -0.7220 13DOPE C39 1649 4.150 4.794 4.872 0.2304 -0.0111 0.0864 13DOPE H9X 1650 4.192 4.895 4.859 0.0791 0.2652 1.4796 13DOPE C310 1651 4.028 4.761 4.829 0.0694 0.1512 0.4123 13DOPE H10X 1652 3.961 4.839 4.789 -0.4018 -0.9499 -1.0689 13DOPE C311 1653 3.964 4.625 4.825 -0.1972 0.2860 -0.0788 13DOPE H11X 1654 3.879 4.624 4.896 0.3541 -1.3561 0.6172 13DOPE H11Y 1655 4.029 4.541 4.859 0.9864 0.4271 -1.9016 13DOPE C312 1656 3.903 4.602 4.687 -0.5196 -0.0388 0.1157 13DOPE H12X 1657 3.979 4.561 4.618 0.3537 -1.6901 1.9624 13DOPE H12Y 1658 3.875 4.702 4.646 3.5023 1.0660 -0.3176 13DOPE C313 1659 3.779 4.512 4.688 -0.4874 -0.0885 -0.3015 13DOPE H13X 1660 3.708 4.588 4.724 0.2812 0.5767 -0.1574 13DOPE H13Y 1661 3.789 4.427 4.759 0.8212 1.0926 1.0125 13DOPE C314 1662 3.738 4.469 4.547 -0.0587 0.0698 -0.4760 13DOPE H14X 1663 3.645 4.409 4.558 0.0509 -0.5829 -2.5832 13DOPE H14Y 1664 3.713 4.555 4.482 1.2681 0.6633 -0.2341 13DOPE C315 1665 3.830 4.373 4.471 -0.0411 -0.3864 0.1084 13DOPE H15X 1666 3.858 4.295 4.545 -0.0892 0.2720 0.8338 13DOPE H15Y 1667 3.920 4.423 4.430 -0.6213 0.2999 -0.3494 13DOPE C316 1668 3.758 4.311 4.351 -0.3118 -0.0908 0.1165 13DOPE H16X 1669 3.725 4.400 4.294 1.2927 -1.0197 -2.4497 13DOPE H16Y 1670 3.660 4.265 4.376 -0.9440 1.4949 0.6530 13DOPE C317 1671 3.850 4.222 4.267 -0.2650 -0.0821 0.1586 13DOPE H17X 1672 3.893 4.141 4.330 2.2689 0.0112 -1.2977 13DOPE H17Y 1673 3.932 4.288 4.230 -0.5975 -0.2905 -0.9830 13DOPE C318 1674 3.780 4.161 4.146 -0.1241 -0.5736 0.3247 13DOPE H18X 1675 3.758 4.058 4.183 4.0423 -1.0978 1.9069 13DOPE H18Y 1676 3.684 4.209 4.119 -0.5288 -2.0458 -1.0108 13DOPE H18Z 1677 3.845 4.139 4.059 -0.1103 -1.4592 0.5422 14DOPE N 1678 3.767 1.789 6.795 0.0905 -0.3897 -0.1097 14DOPE HN1 1679 3.818 1.729 6.863 -0.4236 -0.5828 0.1124 14DOPE HN2 1680 3.789 1.764 6.696 2.5795 -0.2666 0.3484 14DOPE HN3 1681 3.794 1.889 6.807 -1.5351 -0.0023 0.5210 14DOPE C12 1682 3.621 1.767 6.825 -0.0835 0.3433 -0.3970 14DOPE H12A 1683 3.582 1.869 6.842 -0.3763 0.1981 -0.1695 14DOPE H12B 1684 3.612 1.695 6.909 -1.3153 0.9092 -0.0248 14DOPE C11 1685 3.551 1.707 6.703 0.1376 -0.8128 0.0274 14DOPE H11A 1686 3.553 1.791 6.630 0.9997 -0.0731 0.8742 14DOPE H11B 1687 3.445 1.691 6.730 0.0953 -0.6403 -0.0363 14DOPE P 1688 3.542 1.454 6.662 -0.0808 -0.4761 0.2591 14DOPE O13 1689 3.506 1.423 6.802 0.2885 -0.3520 0.3813 14DOPE O14 1690 3.626 1.348 6.601 -0.1515 -0.4821 0.1715 14DOPE O11 1691 3.407 1.477 6.579 0.2018 -0.4809 -0.2084 14DOPE O12 1692 3.620 1.593 6.650 0.1676 -0.6569 -0.2768 14DOPE C1 1693 3.278 1.452 6.637 0.1505 -0.1070 -0.1608 14DOPE HA 1694 3.207 1.510 6.574 2.5654 1.5039 -1.5867 14DOPE HB 1695 3.274 1.500 6.737 0.1693 -0.5774 0.0657 14DOPE C2 1696 3.250 1.301 6.647 0.1676 -0.0942 0.0711 14DOPE HS 1697 3.305 1.270 6.739 1.1040 -1.1314 -0.8194 14DOPE O21 1698 3.301 1.236 6.531 0.2703 0.2575 -0.0807 14DOPE C21 1699 3.344 1.114 6.564 -0.2102 0.0980 -0.0476 14DOPE O22 1700 3.357 1.066 6.675 0.1285 0.1430 -0.0680 14DOPE C22 1701 3.392 1.042 6.439 0.5134 -0.0546 0.3179 14DOPE H2R 1702 3.312 1.049 6.362 0.2979 0.6130 0.5959 14DOPE H2S 1703 3.418 0.940 6.475 1.1949 0.1399 0.4041 14DOPE C3 1704 3.103 1.263 6.668 0.0901 0.2509 0.1728 14DOPE HX 1705 3.061 1.323 6.751 -1.3627 -1.1460 0.5078 14DOPE HY 1706 3.099 1.159 6.708 1.8146 0.6505 1.5071 14DOPE O31 1707 3.025 1.292 6.552 0.3932 0.3903 0.0030 14DOPE C31 1708 3.022 1.195 6.461 0.1974 0.4464 -0.0506 14DOPE O32 1709 3.064 1.081 6.472 0.1853 0.4235 -0.2296 14DOPE C32 1710 2.946 1.244 6.338 -0.8809 0.1918 0.4995 14DOPE H2X 1711 2.852 1.296 6.366 -1.5270 1.6287 -3.6674 14DOPE H2Y 1712 3.016 1.322 6.299 0.1138 -0.5062 0.8505 14DOPE C23 1713 3.519 1.116 6.396 0.7661 -0.2223 0.7652 14DOPE H3R 1714 3.602 1.103 6.469 0.8087 -1.8916 0.4636 14DOPE H3S 1715 3.494 1.224 6.389 2.2940 0.0507 -2.2405 14DOPE C24 1716 3.566 1.077 6.256 -0.5811 0.0602 0.2178 14DOPE H4R 1717 3.647 1.143 6.219 -0.2276 -1.0139 -1.0083 14DOPE H4S 1718 3.483 1.079 6.181 -1.4389 1.1608 1.1615 14DOPE C25 1719 3.635 0.941 6.245 -0.4810 0.1340 -0.0717 14DOPE H5R 1720 3.553 0.872 6.273 -1.0717 0.9597 0.2701 14DOPE H5S 1721 3.719 0.920 6.314 0.0578 -0.3558 -0.8496 14DOPE C26 1722 3.676 0.915 6.099 -0.7592 0.0833 -0.1420 14DOPE H6R 1723 3.760 0.985 6.075 -0.0392 -0.1976 1.4224 14DOPE H6S 1724 3.592 0.940 6.032 -0.6634 -1.6523 -0.9353 14DOPE C27 1725 3.713 0.774 6.055 -0.0047 0.2396 -0.0236 14DOPE H7R 1726 3.740 0.791 5.948 0.0745 3.2708 0.3853 14DOPE H7S 1727 3.622 0.711 6.060 -0.2694 0.6340 0.1816 14DOPE C28 1728 3.834 0.717 6.129 -0.3359 -0.3285 0.0837 14DOPE H8R 1729 3.815 0.725 6.238 -1.1183 -1.7703 0.0745 14DOPE H8S 1730 3.913 0.790 6.102 -1.5499 0.7759 -0.5792 14DOPE C29 1731 3.867 0.575 6.091 -0.0808 -0.3840 0.5077 14DOPE H9R 1732 3.850 0.504 6.174 -3.0410 1.4129 1.5849 14DOPE C210 1733 3.935 0.534 5.983 -1.0753 -0.1267 -0.2303 14DOPE H10R 1734 3.967 0.428 5.980 0.8951 0.4152 0.1066 14DOPE C211 1735 3.969 0.618 5.864 0.1113 0.1047 0.2555 14DOPE H11R 1736 4.072 0.595 5.830 1.0021 0.4913 2.5385 14DOPE H11S 1737 3.966 0.724 5.895 1.0804 -0.0989 1.1049 14DOPE C212 1738 3.876 0.573 5.750 -0.1806 0.6452 0.2793 14DOPE H12R 1739 3.773 0.592 5.785 -1.3008 0.4012 -2.6555 14DOPE H12S 1740 3.883 0.464 5.733 -1.7001 0.6401 -0.5010 14DOPE C213 1741 3.895 0.650 5.619 0.7213 -0.0263 0.0013 14DOPE H13R 1742 4.002 0.639 5.590 0.3067 1.0810 -2.2119 14DOPE H13S 1743 3.874 0.759 5.612 0.2614 -0.1897 -1.5002 14DOPE C214 1744 3.806 0.603 5.504 0.8236 -0.0511 -0.0669 14DOPE H14R 1745 3.806 0.669 5.415 0.7124 -1.6134 -1.2632 14DOPE H14S 1746 3.706 0.605 5.552 1.3112 -0.8190 1.0291 14DOPE C215 1747 3.834 0.467 5.440 0.2819 -0.0104 -0.3915 14DOPE H15R 1748 3.784 0.398 5.511 1.8592 -1.1214 -0.3032 14DOPE H15S 1749 3.945 0.467 5.443 0.3005 2.2101 0.5763 14DOPE C216 1750 3.768 0.446 5.303 0.1055 0.0828 -0.3213 14DOPE H16R 1751 3.827 0.508 5.232 -0.0746 -1.4043 -1.8188 14DOPE H16S 1752 3.662 0.478 5.305 0.4786 1.4232 -0.8225 14DOPE C217 1753 3.784 0.303 5.252 -0.2737 0.0724 -0.4090 14DOPE H17R 1754 3.728 0.233 5.318 -0.5313 -1.2593 -1.9543 14DOPE H17S 1755 3.890 0.271 5.246 0.1300 1.2859 0.1348 14DOPE C218 1756 3.722 0.275 5.115 -0.7143 -0.3274 -0.1324 14DOPE H18R 1757 3.611 0.267 5.115 -0.6527 -1.8196 1.6837 14DOPE H18S 1758 3.764 0.182 5.070 -0.5816 -0.2518 -0.1645 14DOPE H18T 1759 3.752 0.356 5.045 1.3297 0.5106 1.5957 14DOPE C33 1760 2.905 1.137 6.237 -0.0395 0.1601 0.1818 14DOPE H3X 1761 2.849 1.056 6.288 -0.2066 -0.1187 -0.4342 14DOPE H3Y 1762 2.998 1.103 6.187 0.6958 2.7801 -0.4030 14DOPE C34 1763 2.803 1.169 6.127 0.0239 -0.2660 -0.0032 14DOPE H4X 1764 2.701 1.182 6.169 0.3326 -0.6029 0.8781 14DOPE H4Y 1765 2.835 1.265 6.081 -0.8107 -0.3976 -0.8779 14DOPE C35 1766 2.795 1.070 6.011 0.1837 0.2725 -0.4773 14DOPE H5X 1767 2.755 0.976 6.055 -1.3088 1.5853 1.1281 14DOPE H5Y 1768 2.898 1.058 5.973 0.7819 -0.6747 1.3129 14DOPE C36 1769 2.697 1.117 5.903 -0.2872 0.2762 -0.0513 14DOPE H6X 1770 2.691 1.026 5.840 -1.1756 0.1776 0.1623 14DOPE H6Y 1771 2.597 1.126 5.952 -0.0598 -0.8842 0.6742 14DOPE C37 1772 2.759 1.235 5.829 0.1765 0.0252 -0.0633 14DOPE H7X 1773 2.733 1.321 5.893 0.3080 -0.9399 1.3296 14DOPE H7Y 1774 2.870 1.233 5.817 0.0337 -1.9410 -1.6595 14DOPE C38 1775 2.695 1.245 5.690 0.4604 0.6950 -0.1468 14DOPE H8X 1776 2.585 1.239 5.696 0.3286 -1.4049 -2.6892 14DOPE H8Y 1777 2.723 1.341 5.642 0.2451 1.7701 1.7676 14DOPE C39 1778 2.759 1.140 5.604 -0.1898 -0.0587 0.2804 14DOPE H9X 1779 2.835 1.071 5.646 0.1312 -0.2027 -0.5147 14DOPE C310 1780 2.721 1.124 5.477 -0.0380 -0.5081 0.2876 14DOPE H10X 1781 2.780 1.060 5.410 -1.4021 -0.7937 -0.6898 14DOPE C311 1782 2.627 1.208 5.395 0.3956 -0.1556 0.1417 14DOPE H11X 1783 2.553 1.146 5.340 0.6782 -0.2384 -0.1484 14DOPE H11Y 1784 2.567 1.272 5.463 2.4174 -0.1343 1.9973 14DOPE C312 1785 2.707 1.282 5.288 -0.0393 -0.0274 -0.0998 14DOPE H12X 1786 2.754 1.205 5.223 0.3928 2.2131 -2.6229 14DOPE H12Y 1787 2.789 1.344 5.331 -0.5077 0.1032 0.6186 14DOPE C313 1788 2.625 1.372 5.196 0.6195 0.2319 -0.4427 14DOPE H13X 1789 2.530 1.319 5.173 0.5848 -0.5011 1.2820 14DOPE H13Y 1790 2.614 1.464 5.256 2.3292 -0.2684 0.7120 14DOPE C314 1791 2.692 1.431 5.072 0.6468 0.5263 -0.2882 14DOPE H14X 1792 2.612 1.497 5.031 -0.4315 0.0459 0.9903 14DOPE H14Y 1793 2.780 1.493 5.099 0.6344 0.3475 0.1629 14DOPE C315 1794 2.733 1.329 4.966 -0.4580 -0.3603 0.1164 14DOPE H15X 1795 2.828 1.293 5.011 -0.0116 -0.3342 -0.7732 14DOPE H15Y 1796 2.768 1.375 4.871 -1.1941 0.5169 0.2630 14DOPE C316 1797 2.639 1.212 4.937 -0.5534 -0.1541 -0.4259 14DOPE H16X 1798 2.537 1.253 4.920 -1.3755 -1.8068 0.2834 14DOPE H16Y 1799 2.629 1.146 5.026 -0.8659 2.2999 1.4804 14DOPE C317 1800 2.693 1.129 4.821 0.3991 0.0353 -0.1241 14DOPE H17X 1801 2.693 1.181 4.723 -0.2748 1.7608 0.7620 14DOPE H17Y 1802 2.799 1.113 4.851 0.3396 -1.8829 -0.7743 14DOPE C318 1803 2.639 0.986 4.814 0.0979 0.0698 1.2726 14DOPE H18X 1804 2.531 0.984 4.842 -0.6116 1.1788 -1.1252 14DOPE H18Y 1805 2.652 0.943 4.712 1.1496 0.9699 1.0050 14DOPE H18Z 1806 2.685 0.907 4.877 -0.4974 -1.9966 -0.7664 15DOPE N 1807 3.139 1.608 7.209 0.1154 0.5818 0.3434 15DOPE HN1 1808 3.047 1.657 7.207 -0.1729 0.2503 2.8053 15DOPE HN2 1809 3.129 1.521 7.152 -2.1059 1.3231 -0.5485 15DOPE HN3 1810 3.168 1.585 7.306 0.9900 -0.7824 -0.2149 15DOPE C12 1811 3.259 1.689 7.166 -0.5236 1.1699 -0.3811 15DOPE H12A 1812 3.345 1.630 7.204 -0.9590 2.3744 2.7938 15DOPE H12B 1813 3.254 1.783 7.226 -0.3427 1.4075 -0.7382 15DOPE C11 1814 3.255 1.713 7.015 0.3368 0.3021 -0.5521 15DOPE H11A 1815 3.251 1.609 6.977 -2.3866 0.2622 -0.3362 15DOPE H11B 1816 3.337 1.779 6.978 1.1356 0.8516 1.9728 15DOPE P 1817 3.080 1.738 6.832 0.0169 0.3570 -0.1335 15DOPE O13 1818 3.051 1.594 6.821 0.6799 0.2323 -0.3228 15DOPE O14 1819 2.968 1.830 6.800 0.1664 0.7716 0.5221 15DOPE O11 1820 3.211 1.769 6.744 0.6389 0.7436 0.9139 15DOPE O12 1821 3.129 1.771 6.980 0.0734 0.0232 -0.0771 15DOPE C1 1822 3.221 1.890 6.670 0.6898 0.2912 0.1723 15DOPE HA 1823 3.325 1.927 6.678 0.7271 0.6311 -1.5278 15DOPE HB 1824 3.159 1.975 6.706 0.4305 0.1259 0.1177 15DOPE C2 1825 3.181 1.865 6.523 0.1858 -0.0079 0.3577 15DOPE HS 1826 3.087 1.806 6.523 0.7386 -1.1190 -3.3934 15DOPE O21 1827 3.291 1.790 6.471 0.0757 -0.0857 0.2369 15DOPE C21 1828 3.255 1.711 6.370 0.3871 0.2764 -0.1614 15DOPE O22 1829 3.139 1.688 6.340 0.2949 0.1501 0.2920 15DOPE C22 1830 3.381 1.653 6.307 0.2325 -0.1638 -0.0621 15DOPE H2R 1831 3.447 1.608 6.385 -2.1486 -0.6952 1.7774 15DOPE H2S 1832 3.424 1.744 6.261 0.1393 0.0359 0.2458 15DOPE C3 1833 3.169 1.998 6.447 -0.0027 -0.0847 0.2530 15DOPE HX 1834 3.241 2.073 6.484 -1.4574 0.4109 2.2086 15DOPE HY 1835 3.071 2.045 6.466 0.7778 1.4256 0.6857 15DOPE O31 1836 3.195 1.987 6.306 0.0273 0.2894 0.2297 15DOPE C31 1837 3.092 1.994 6.222 0.1487 0.7199 0.1137 15DOPE O32 1838 2.977 2.013 6.259 -0.0860 -0.0617 -0.1981 15DOPE C32 1839 3.140 1.975 6.079 -0.0237 -0.2506 0.1804 15DOPE H2X 1840 3.210 2.060 6.060 -1.3323 1.3964 2.2780 15DOPE H2Y 1841 3.185 1.877 6.049 -1.2314 -0.2154 -1.9074 15DOPE C23 1842 3.334 1.557 6.197 0.4282 -0.3833 0.0452 15DOPE H3R 1843 3.261 1.615 6.137 -1.3466 -0.7977 1.7188 15DOPE H3S 1844 3.274 1.473 6.238 -1.1744 1.3501 1.4441 15DOPE C24 1845 3.454 1.514 6.113 0.3531 -0.5975 0.0473 15DOPE H4R 1846 3.516 1.460 6.188 -1.1933 -0.7482 1.2773 15DOPE H4S 1847 3.505 1.604 6.072 -0.3384 -0.0031 0.4794 15DOPE C25 1848 3.425 1.405 6.010 -0.1779 -0.3190 -0.1010 15DOPE H5R 1849 3.356 1.447 5.933 -0.0092 0.5020 0.1938 15DOPE H5S 1850 3.371 1.322 6.061 2.4890 -1.3494 1.2461 15DOPE C26 1851 3.553 1.350 5.947 -0.0863 0.4701 -0.6076 15DOPE H6R 1852 3.624 1.331 6.030 -0.5809 -3.0365 -0.8512 15DOPE H6S 1853 3.603 1.419 5.875 0.6605 -1.2028 -1.7555 15DOPE C27 1854 3.516 1.223 5.870 -0.0065 0.3947 -0.5216 15DOPE H7R 1855 3.443 1.241 5.788 -1.1362 0.6828 0.4963 15DOPE H7S 1856 3.473 1.159 5.950 1.1372 -0.3479 -0.4798 15DOPE C28 1857 3.642 1.162 5.809 -0.1471 -0.3808 -0.0485 15DOPE H8R 1858 3.721 1.166 5.888 -1.7371 -2.0168 1.7386 15DOPE H8S 1859 3.677 1.235 5.733 1.8190 0.7506 1.8465 15DOPE C29 1860 3.620 1.025 5.752 0.2342 -0.5071 0.1089 15DOPE H9R 1861 3.645 0.942 5.821 2.5269 0.5578 0.6618 15DOPE C210 1862 3.580 0.998 5.627 0.1945 0.0112 0.0082 15DOPE H10R 1863 3.565 0.892 5.601 -0.6571 -0.0855 0.8160 15DOPE C211 1864 3.556 1.093 5.514 -0.3375 -0.2045 -0.0613 15DOPE H11R 1865 3.642 1.151 5.474 0.3397 -1.8254 -1.0509 15DOPE H11S 1866 3.472 1.164 5.530 -3.2410 -3.3859 -0.0223 15DOPE C212 1867 3.525 1.002 5.395 -0.1858 -0.4771 0.1085 15DOPE H12R 1868 3.481 1.065 5.315 1.5595 2.0326 0.9930 15DOPE H12S 1869 3.450 0.926 5.426 0.8234 -1.0253 1.3161 15DOPE C213 1870 3.649 0.929 5.343 0.0887 0.1217 -0.0832 15DOPE H13R 1871 3.675 0.864 5.429 0.0108 -0.0007 -0.1516 15DOPE H13S 1872 3.732 1.002 5.329 0.7526 -0.1963 1.9302 15DOPE C214 1873 3.610 0.850 5.217 0.5958 -0.0059 -0.1653 15DOPE H14R 1874 3.508 0.816 5.248 0.0809 0.9886 -0.7167 15DOPE H14S 1875 3.678 0.764 5.200 -2.0541 -2.0877 -1.0114 15DOPE C215 1876 3.585 0.927 5.088 0.2653 -0.0256 -0.1162 15DOPE H15R 1877 3.524 1.017 5.110 1.2999 0.4990 0.7399 15DOPE H15S 1878 3.528 0.864 5.016 0.1743 -0.4068 0.2915 15DOPE C216 1879 3.709 0.982 5.015 0.4318 -0.3891 -0.1103 15DOPE H16R 1880 3.761 0.891 4.979 1.7698 -0.3455 1.5638 15DOPE H16S 1881 3.787 1.019 5.085 1.3613 -1.2259 -0.6807 15DOPE C217 1882 3.692 1.073 4.894 1.0626 -0.1536 -0.0245 15DOPE H17R 1883 3.594 1.050 4.846 -0.2385 0.4281 2.1933 15DOPE H17S 1884 3.776 1.066 4.821 0.6253 0.0068 -0.5560 15DOPE C218 1885 3.682 1.221 4.930 0.7723 -0.1329 -0.1858 15DOPE H18R 1886 3.756 1.242 5.010 0.8920 -0.7464 -0.1313 15DOPE H18S 1887 3.576 1.246 4.957 1.2010 -0.2826 1.8040 15DOPE H18T 1888 3.698 1.285 4.840 0.0086 0.8690 0.3612 15DOPE C33 1889 3.024 1.984 5.980 -0.0185 0.0198 0.1988 15DOPE H3X 1890 2.988 2.089 5.982 -2.3847 -0.7442 0.1791 15DOPE H3Y 1891 2.937 1.921 6.005 -0.8354 0.3644 -1.6257 15DOPE C34 1892 3.064 1.954 5.835 -0.1143 -0.0100 0.1791 15DOPE H4X 1893 3.124 1.861 5.829 -0.7450 -0.4498 0.4989 15DOPE H4Y 1894 2.969 1.943 5.778 0.4032 -1.6357 -0.4122 15DOPE C35 1895 3.146 2.067 5.773 -0.2040 -0.1603 -0.2131 15DOPE H5X 1896 3.095 2.165 5.780 -0.4368 -0.3145 0.2577 15DOPE H5Y 1897 3.239 2.079 5.833 -0.8178 -1.6362 1.1033 15DOPE C36 1898 3.177 2.032 5.627 0.1611 -0.2875 -0.1080 15DOPE H6X 1899 3.241 1.941 5.632 -0.1177 -0.4196 1.7756 15DOPE H6Y 1900 3.093 2.002 5.561 -0.1507 0.7843 -0.2206 15DOPE C37 1901 3.250 2.141 5.548 0.3760 -0.1548 0.2736 15DOPE H7X 1902 3.207 2.241 5.568 -0.7499 -0.5731 0.0003 15DOPE H7Y 1903 3.351 2.139 5.595 0.0671 2.2032 1.1834 15DOPE C38 1904 3.260 2.113 5.398 0.1384 0.3461 0.1630 15DOPE H8X 1905 3.316 2.017 5.388 0.8003 0.7759 -0.3261 15DOPE H8Y 1906 3.158 2.101 5.358 -0.7187 2.8156 1.3699 15DOPE C39 1907 3.330 2.218 5.317 0.0865 -0.0451 -0.3929 15DOPE H9X 1908 3.434 2.233 5.348 0.0983 -0.9043 0.0085 15DOPE C310 1909 3.285 2.286 5.211 0.0671 0.0513 -0.3236 15DOPE H10X 1910 3.347 2.367 5.169 -0.7231 -0.3011 -2.3198 15DOPE C311 1911 3.143 2.275 5.164 -0.1041 0.0795 0.1815 15DOPE H11X 1912 3.109 2.169 5.165 -0.3316 0.1067 -1.4448 15DOPE H11Y 1913 3.079 2.335 5.232 -0.8969 -0.8461 0.2839 15DOPE C312 1914 3.107 2.332 5.026 0.0870 -0.0910 0.0604 15DOPE H12X 1915 3.161 2.265 4.956 2.1820 2.0932 -0.5744 15DOPE H12Y 1916 3.146 2.436 5.030 -1.2996 0.4714 -0.6549 15DOPE C313 1917 2.958 2.335 4.995 0.1469 -0.1202 -0.2315 15DOPE H13X 1918 2.917 2.234 5.016 -0.1313 -0.1749 -1.0088 15DOPE H13Y 1919 2.904 2.395 5.072 0.0971 -0.6495 0.1462 15DOPE C314 1920 2.921 2.376 4.852 -0.0605 -0.6207 -0.3209 15DOPE H14X 1921 2.983 2.462 4.820 -0.4081 -0.1936 0.1278 15DOPE H14Y 1922 2.819 2.420 4.842 0.4597 0.6742 -0.1465 15DOPE C315 1923 2.924 2.262 4.750 0.6354 -0.1674 -0.8115 15DOPE H15X 1924 2.868 2.185 4.806 0.3214 0.1672 -0.6612 15DOPE H15Y 1925 3.031 2.231 4.746 0.7029 0.1146 -1.3263 15DOPE C316 1926 2.858 2.298 4.617 -0.2492 0.4013 -0.2296 15DOPE H16X 1927 2.932 2.330 4.540 0.7241 -0.0698 0.4914 15DOPE H16Y 1928 2.776 2.366 4.648 -2.7518 -2.4278 -0.2080 15DOPE C317 1929 2.800 2.171 4.553 -0.1282 0.1343 0.1852 15DOPE H17X 1930 2.723 2.136 4.626 -0.6798 -0.7774 -0.8099 15DOPE H17Y 1931 2.756 2.204 4.456 -2.5148 -1.5440 0.6090 15DOPE C318 1932 2.901 2.061 4.522 0.1708 0.6048 -0.5384 15DOPE H18X 1933 2.852 1.969 4.483 2.1031 0.4760 -2.8788 15DOPE H18Y 1934 2.969 2.085 4.437 1.0501 -1.7266 -0.5598 15DOPE H18Z 1935 2.971 2.036 4.605 1.3301 -0.6325 -1.8393 16DOPE N 1936 3.011 5.846 6.465 0.1757 0.1180 -0.5634 16DOPE HN1 1937 2.912 5.849 6.498 0.2190 0.7800 -0.4970 16DOPE HN2 1938 3.058 5.938 6.465 0.8019 -0.1088 2.1944 16DOPE HN3 1939 3.010 5.802 6.371 -1.2751 0.6362 -0.8135 16DOPE C12 1940 3.099 5.750 6.541 -0.1855 -0.2853 -0.6498 16DOPE H12A 1941 3.114 5.790 6.644 -2.7299 1.6011 -0.9128 16DOPE H12B 1942 3.194 5.741 6.485 1.5170 -0.2806 2.0494 16DOPE C11 1943 3.042 5.609 6.564 -0.4918 0.0433 0.7170 16DOPE H11A 1944 2.946 5.621 6.619 -2.5532 1.2656 -2.7940 16DOPE H11B 1945 3.110 5.541 6.619 -0.1074 0.1754 0.4067 16DOPE P 1946 3.090 5.439 6.365 -0.2436 -0.0658 -0.3710 16DOPE O13 1947 3.094 5.317 6.449 0.7689 0.2404 0.0446 16DOPE O14 1948 3.219 5.504 6.331 -0.5170 0.4575 -0.4080 16DOPE O11 1949 3.009 5.410 6.230 -0.2166 0.0268 -0.4070 16DOPE O12 1950 3.004 5.551 6.439 0.4130 -0.1299 0.5139 16DOPE C1 1951 2.871 5.382 6.258 -0.1023 0.0949 0.2597 16DOPE HA 1952 2.808 5.474 6.260 -1.7926 -0.9456 -1.4194 16DOPE HB 1953 2.844 5.315 6.342 -1.4174 0.2660 -0.0129 16DOPE C2 1954 2.803 5.314 6.138 0.2282 0.1345 0.0463 16DOPE HS 1955 2.842 5.210 6.132 -2.4300 -0.9871 0.8512 16DOPE O21 1956 2.828 5.390 6.020 0.0427 -0.1179 -0.1563 16DOPE C21 1957 2.836 5.317 5.908 -0.3177 -0.0089 -0.2545 16DOPE O22 1958 2.838 5.195 5.903 0.6781 -0.0334 0.5512 16DOPE C22 1959 2.821 5.407 5.786 -0.4016 0.4943 0.1228 16DOPE H2R 1960 2.921 5.430 5.746 -0.6057 1.1606 -0.0129 16DOPE H2S 1961 2.772 5.499 5.824 0.1045 0.3791 1.0989 16DOPE C3 1962 2.653 5.304 6.172 0.3232 -0.2392 0.3612 16DOPE HX 1963 2.627 5.411 6.178 0.1276 -0.3440 1.7545 16DOPE HY 1964 2.634 5.250 6.268 -0.8066 -2.9942 -1.2785 16DOPE O31 1965 2.577 5.245 6.066 -0.0414 0.1036 0.4323 16DOPE C31 1966 2.571 5.112 6.060 -0.3994 0.1208 0.3904 16DOPE O32 1967 2.621 5.032 6.137 -0.8733 -0.5828 -0.0183 16DOPE C32 1968 2.489 5.065 5.941 -0.2140 0.1225 0.2619 16DOPE H2X 1969 2.397 5.008 5.966 -0.2913 0.1081 -0.0478 16DOPE H2Y 1970 2.461 5.151 5.876 0.5234 0.7821 0.7976 16DOPE C23 1971 2.723 5.340 5.689 0.2940 -0.1172 -0.1637 16DOPE H3R 1972 2.639 5.303 5.753 -1.0776 1.3065 -1.0798 16DOPE H3S 1973 2.781 5.253 5.651 0.2937 0.4131 -1.3909 16DOPE C24 1974 2.668 5.426 5.576 0.4590 0.1984 -0.0070 16DOPE H4R 1975 2.745 5.494 5.535 -1.7594 3.4176 0.8467 16DOPE H4S 1976 2.591 5.493 5.621 1.8212 0.0658 2.7086 16DOPE C25 1977 2.608 5.350 5.457 0.8232 -0.2721 0.1056 16DOPE H5R 1978 2.515 5.298 5.490 -0.0159 -0.4519 -2.3251 16DOPE H5S 1979 2.675 5.270 5.418 1.0807 -0.2522 0.5085 16DOPE C26 1980 2.558 5.436 5.340 0.3984 -0.4553 0.1482 16DOPE H6R 1981 2.649 5.491 5.307 0.4951 -0.2981 0.6661 16DOPE H6S 1982 2.479 5.508 5.370 2.4020 2.6046 -1.4368 16DOPE C27 1983 2.505 5.364 5.216 -0.0825 0.3772 -0.1367 16DOPE H7R 1984 2.421 5.300 5.251 0.2381 -0.0206 -0.0890 16DOPE H7S 1985 2.585 5.298 5.177 -0.3557 0.4170 -0.7678 16DOPE C28 1986 2.475 5.448 5.092 0.2050 -0.1249 -0.5485 16DOPE H8R 1987 2.565 5.505 5.059 -1.0948 1.5871 -1.3203 16DOPE H8S 1988 2.393 5.516 5.123 -0.3166 -1.8228 2.0770 16DOPE C29 1989 2.441 5.357 4.977 0.0213 -0.2183 -0.4206 16DOPE H9R 1990 2.522 5.285 4.958 -0.2632 -0.6882 0.1368 16DOPE C210 1991 2.327 5.372 4.908 -0.2387 0.1951 0.0942 16DOPE H10R 1992 2.311 5.299 4.828 0.4827 -1.1591 1.1499 16DOPE C211 1993 2.200 5.449 4.933 -0.1540 0.3796 -0.0350 16DOPE H11R 1994 2.193 5.495 5.034 -1.9839 -1.7196 0.8830 16DOPE H11S 1995 2.118 5.374 4.940 0.5492 -0.3268 1.0871 16DOPE C212 1996 2.166 5.561 4.835 -0.0439 0.7156 0.3112 16DOPE H12R 1997 2.068 5.606 4.859 1.3420 3.0741 2.0527 16DOPE H12S 1998 2.171 5.521 4.732 0.3600 3.0825 -0.6622 16DOPE C213 1999 2.270 5.674 4.827 0.0941 0.5142 -0.9104 16DOPE H13R 2000 2.253 5.739 4.739 -2.0973 0.0186 -0.9066 16DOPE H13S 2001 2.371 5.629 4.810 -0.1314 -0.2818 -0.2280 16DOPE C214 2002 2.274 5.761 4.953 -0.1888 0.0222 -0.5564 16DOPE H14R 2003 2.356 5.834 4.936 -0.1242 0.1521 0.2820 16DOPE H14S 2004 2.310 5.697 5.036 -1.7203 1.5034 1.3412 16DOPE C215 2005 2.145 5.838 4.979 0.3942 0.6370 0.6226 16DOPE H15R 2006 2.060 5.770 5.002 0.4746 -0.0295 -0.8879 16DOPE H15S 2007 2.105 5.891 4.890 -1.1449 -1.2817 0.0853 16DOPE C216 2008 2.164 5.941 5.090 0.8095 0.3488 0.8179 16DOPE H16R 2009 2.228 6.023 5.052 -2.9354 2.7066 -0.9456 16DOPE H16S 2010 2.187 5.883 5.183 -2.6859 -1.9629 0.4303 16DOPE C217 2011 2.038 6.024 5.113 0.4656 0.1264 -0.2214 16DOPE H17R 2012 1.962 5.948 5.142 -1.8778 1.8694 -1.4796 16DOPE H17S 2013 2.011 6.071 5.016 -0.0052 -0.2697 -0.2876 16DOPE C218 2014 2.073 6.122 5.225 -0.3217 -0.3639 0.4651 16DOPE H18R 2015 2.136 6.204 5.185 -1.1625 1.0580 1.9173 16DOPE H18S 2016 2.130 6.064 5.300 -1.5282 -2.7989 -0.3737 16DOPE H18T 2017 1.972 6.160 5.251 -0.6009 -0.3362 -0.5814 16DOPE C33 2018 2.579 4.977 5.855 -0.3607 0.3422 -0.1210 16DOPE H3X 2019 2.595 4.883 5.912 -2.4586 0.3924 0.6244 16DOPE H3Y 2020 2.679 5.020 5.833 -0.6230 1.1508 0.2553 16DOPE C34 2021 2.527 4.948 5.713 -0.4465 0.3968 -0.1007 16DOPE H4X 2022 2.474 5.038 5.675 -2.9614 -1.2456 -0.6483 16DOPE H4Y 2023 2.609 4.925 5.642 0.7857 3.4966 0.1604 16DOPE C35 2024 2.409 4.851 5.705 -0.0006 -0.1328 -0.3127 16DOPE H5X 2025 2.357 4.870 5.609 -0.8983 -0.1358 0.1638 16DOPE H5Y 2026 2.335 4.866 5.786 -0.9535 1.8822 -1.4835 16DOPE C36 2027 2.463 4.709 5.715 -0.4373 -0.2751 0.0461 16DOPE H6X 2028 2.556 4.702 5.655 0.1429 -0.5706 0.9531 16DOPE H6Y 2029 2.483 4.696 5.824 -2.2426 0.3097 0.4802 16DOPE C37 2030 2.364 4.597 5.682 -0.0801 -0.5403 -0.1322 16DOPE H7X 2031 2.411 4.499 5.705 2.1503 0.2765 -0.9272 16DOPE H7Y 2032 2.274 4.609 5.745 -0.8707 -1.3961 -1.0653 16DOPE C38 2033 2.315 4.599 5.537 -0.1619 -0.1611 -0.0992 16DOPE H8X 2034 2.267 4.698 5.521 0.3416 0.0841 -0.1122 16DOPE H8Y 2035 2.401 4.606 5.468 -0.1105 -0.7047 -0.0953 16DOPE C39 2036 2.240 4.471 5.515 -0.1000 -0.1222 -0.5301 16DOPE H9X 2037 2.209 4.425 5.610 0.0995 -0.1477 -0.4760 16DOPE C310 2038 2.221 4.406 5.399 -0.5119 0.0670 -0.5681 16DOPE H10X 2039 2.173 4.307 5.401 -0.3784 0.0121 -0.1299 16DOPE C311 2040 2.256 4.464 5.265 0.2688 0.0467 -0.3782 16DOPE H11X 2041 2.302 4.566 5.266 0.8222 -0.2053 0.1999 16DOPE H11Y 2042 2.156 4.476 5.217 -0.5571 -0.1943 1.2398 16DOPE C312 2043 2.324 4.359 5.177 -0.2337 -0.3826 -0.2586 16DOPE H12X 2044 2.428 4.344 5.215 -0.6189 -3.4054 -0.2012 16DOPE H12Y 2045 2.274 4.262 5.197 0.9686 -0.9186 0.3088 16DOPE C313 2046 2.323 4.382 5.026 -0.8979 -0.0458 -0.2060 16DOPE H13X 2047 2.216 4.377 4.996 -1.6102 -2.5572 2.2780 16DOPE H13Y 2048 2.355 4.487 5.010 0.7244 -0.5429 -0.3852 16DOPE C314 2049 2.417 4.279 4.962 -0.0294 0.5586 0.0892 16DOPE H14X 2050 2.515 4.283 5.015 -0.8389 1.0594 1.6369 16DOPE H14Y 2051 2.375 4.180 4.990 -1.2843 1.5445 1.8980 16DOPE C315 2052 2.436 4.314 4.815 -0.1378 0.0074 -0.0555 16DOPE H15X 2053 2.453 4.424 4.810 -3.9665 0.8188 1.3465 16DOPE H15Y 2054 2.332 4.308 4.775 -1.0924 -0.0579 2.2868 16DOPE C316 2055 2.530 4.227 4.731 -0.3538 -0.3333 0.0526 16DOPE H16X 2056 2.517 4.117 4.745 -0.0783 -0.3241 0.3884 16DOPE H16Y 2057 2.631 4.258 4.764 -0.7265 0.2229 0.7004 16DOPE C317 2058 2.516 4.259 4.582 -0.1265 -0.2228 0.0552 16DOPE H17X 2059 2.520 4.367 4.558 -1.6275 -0.3143 -0.7564 16DOPE H17Y 2060 2.601 4.213 4.528 -0.0291 0.7284 -0.6303 16DOPE C318 2061 2.392 4.195 4.519 -0.0198 -0.2231 -0.1535 16DOPE H18X 2062 2.378 4.210 4.410 -0.3156 -2.8071 -0.5267 16DOPE H18Y 2063 2.404 4.085 4.530 -0.0279 -0.4319 -1.9391 16DOPE H18Z 2064 2.306 4.213 4.586 0.7411 -3.3568 1.8429 17DOPE N 2065 5.834 2.949 6.487 -1.0367 0.0522 -0.0076 17DOPE HN1 2066 5.925 2.897 6.486 -0.3175 1.2908 -0.0943 17DOPE HN2 2067 5.851 3.046 6.521 -3.3415 0.2341 0.7849 17DOPE HN3 2068 5.776 2.892 6.552 3.6195 -3.0062 2.0762 17DOPE C12 2069 5.764 2.952 6.354 -0.2529 0.2830 -0.4212 17DOPE H12A 2070 5.770 2.848 6.316 0.6297 0.1901 -0.0538 17DOPE H12B 2071 5.820 3.019 6.285 0.3139 -0.8280 -1.0795 17DOPE C11 2072 5.621 3.006 6.368 -0.4655 -0.3334 -0.1878 17DOPE H11A 2073 5.561 2.973 6.281 -1.1160 -0.3639 0.2699 17DOPE H11B 2074 5.626 3.117 6.364 -0.7752 -0.2794 0.6519 17DOPE P 2075 5.437 3.049 6.551 -0.1674 0.0632 -0.0140 17DOPE O13 2076 5.484 3.162 6.634 -0.4381 0.0313 0.1832 17DOPE O14 2077 5.343 2.951 6.611 -0.2159 -0.1046 -0.3567 17DOPE O11 2078 5.374 3.110 6.417 0.0434 -0.2914 -0.2763 17DOPE O12 2079 5.562 2.968 6.493 -0.4856 -0.3100 -0.1900 17DOPE C1 2080 5.233 3.132 6.417 0.0496 -0.1880 0.9592 17DOPE HA 2081 5.214 3.226 6.360 0.9274 0.2502 1.3730 17DOPE HB 2082 5.191 3.158 6.517 0.7610 1.2048 0.9257 17DOPE C2 2083 5.151 3.017 6.356 0.3524 0.1329 -0.0728 17DOPE HS 2084 5.161 2.932 6.427 -1.9886 -0.6031 -0.5367 17DOPE O21 2085 5.219 2.985 6.234 0.0629 0.2560 -0.2642 17DOPE C21 2086 5.199 2.862 6.186 0.6452 -0.0242 0.2026 17DOPE O22 2087 5.137 2.776 6.245 -0.0394 0.3177 -0.0089 17DOPE C22 2088 5.261 2.844 6.048 0.3371 0.0235 0.0561 17DOPE H2R 2089 5.310 2.745 6.051 -0.2084 -0.2336 0.9544 17DOPE H2S 2090 5.333 2.928 6.031 -1.7591 2.0293 0.5518 17DOPE C3 2091 5.000 3.040 6.341 0.3478 0.4880 0.4862 17DOPE HX 2092 4.950 3.055 6.439 -0.9588 -2.7564 0.4266 17DOPE HY 2093 4.947 2.949 6.307 -0.3531 0.0507 2.5725 17DOPE O31 2094 4.981 3.155 6.259 0.2394 -0.0252 -0.2159 17DOPE C31 2095 4.907 3.139 6.149 0.7927 -0.1299 -0.5742 17DOPE O32 2096 4.874 3.029 6.107 0.3506 -0.2937 0.1792 17DOPE C32 2097 4.887 3.269 6.073 1.0935 0.1056 -0.2556 17DOPE H2X 2098 4.820 3.341 6.126 1.6359 0.5777 -0.2023 17DOPE H2Y 2099 4.987 3.317 6.070 1.4448 -0.6067 -0.1388 17DOPE C23 2100 5.161 2.838 5.932 0.0194 0.5965 0.2968 17DOPE H3R 2101 5.082 2.914 5.949 -0.7707 -0.1184 -0.1536 17DOPE H3S 2102 5.101 2.746 5.947 0.3891 0.5072 1.2996 17DOPE C24 2103 5.223 2.862 5.794 0.1325 0.4433 0.3220 17DOPE H4R 2104 5.304 2.788 5.773 0.1047 1.2218 -2.9701 17DOPE H4S 2105 5.277 2.958 5.790 3.0552 -1.1355 -2.5285 17DOPE C25 2106 5.129 2.856 5.674 0.2809 0.2543 0.2143 17DOPE H5R 2107 5.027 2.891 5.699 0.1190 0.1507 -0.2821 17DOPE H5S 2108 5.126 2.749 5.644 0.5257 -0.4762 2.6266 17DOPE C26 2109 5.186 2.939 5.559 0.4868 -0.2956 -0.0863 17DOPE H6R 2110 5.285 2.895 5.536 -0.0165 -0.9129 -1.1409 17DOPE H6S 2111 5.199 3.045 5.589 2.0811 0.4870 -3.0992 17DOPE C27 2112 5.102 2.935 5.431 0.6587 0.5314 -0.2321 17DOPE H7R 2113 5.091 2.831 5.395 -0.7167 0.4187 0.4306 17DOPE H7S 2114 5.150 3.005 5.359 1.6939 0.9075 0.7927 17DOPE C28 2115 4.956 2.976 5.455 0.4368 -0.3228 -0.0940 17DOPE H8R 2116 4.959 3.085 5.477 -0.2844 -0.1159 -0.9480 17DOPE H8S 2117 4.918 2.922 5.544 -1.0403 0.1675 -0.3904 17DOPE C29 2118 4.865 2.953 5.338 -0.5741 0.0673 0.6017 17DOPE H9R 2119 4.842 2.852 5.302 1.8769 0.2638 -1.8736 17DOPE C210 2120 4.825 3.053 5.257 -0.7910 0.1371 0.7945 17DOPE H10R 2121 4.776 3.029 5.162 -1.7135 -0.7922 1.4797 17DOPE C211 2122 4.843 3.199 5.285 -0.2636 0.2119 0.0928 17DOPE H11R 2123 4.950 3.213 5.312 0.2511 -2.3037 -0.4016 17DOPE H11S 2124 4.776 3.223 5.370 -2.1374 0.4360 -1.3949 17DOPE C212 2125 4.810 3.280 5.160 0.1906 0.0151 -0.1592 17DOPE H12R 2126 4.717 3.244 5.112 1.5058 -1.5067 -1.6641 17DOPE H12S 2127 4.889 3.255 5.086 1.1355 0.0345 0.8253 17DOPE C213 2128 4.814 3.431 5.186 0.7027 0.0355 -0.3461 17DOPE H13R 2129 4.909 3.455 5.237 0.4720 -2.0329 1.2015 17DOPE H13S 2130 4.738 3.456 5.263 1.3895 2.8180 -0.4641 17DOPE C214 2131 4.794 3.503 5.052 -0.7120 -0.2811 -0.3246 17DOPE H14R 2132 4.706 3.458 5.001 -1.7056 -0.6193 1.5954 17DOPE H14S 2133 4.882 3.488 4.986 -0.0459 2.6844 -0.2471 17DOPE C215 2134 4.756 3.651 5.059 -0.3828 -0.2056 -0.1295 17DOPE H15R 2135 4.745 3.702 4.961 -0.9565 0.8545 0.4690 17DOPE H15S 2136 4.820 3.714 5.124 -0.0503 -0.0747 -0.5741 17DOPE C216 2137 4.611 3.666 5.103 -0.1723 -0.3277 0.6301 17DOPE H16R 2138 4.602 3.623 5.204 -0.9183 -2.1205 -0.1597 17DOPE H16S 2139 4.546 3.610 5.032 -0.5689 1.4604 -0.4850 17DOPE C217 2140 4.568 3.813 5.112 -0.0609 -0.2597 0.1122 17DOPE H17R 2141 4.655 3.865 5.158 0.1019 0.1674 -0.6616 17DOPE H17S 2142 4.482 3.810 5.182 1.1035 1.0533 1.6938 17DOPE C218 2143 4.527 3.871 4.977 -0.3960 -0.1121 0.2763 17DOPE H18R 2144 4.613 3.869 4.906 -1.7075 1.3150 -1.4543 17DOPE H18S 2145 4.499 3.978 4.988 0.0220 0.0506 -0.1649 17DOPE H18T 2146 4.436 3.821 4.937 0.1457 -1.3551 0.5373 17DOPE C33 2147 4.839 3.249 5.928 0.6034 -0.8056 0.0222 17DOPE H3X 2148 4.738 3.206 5.937 0.9973 -2.1964 -1.6875 17DOPE H3Y 2149 4.911 3.187 5.871 1.9855 1.3311 -0.6793 17DOPE C34 2150 4.852 3.383 5.855 0.4134 -0.7258 0.1341 17DOPE H4X 2151 4.772 3.449 5.895 0.1611 0.4427 -2.1501 17DOPE H4Y 2152 4.948 3.436 5.872 -1.3353 2.5108 0.6206 17DOPE C35 2153 4.832 3.352 5.707 0.4314 0.3361 -0.0966 17DOPE H5X 2154 4.738 3.296 5.689 -0.6492 2.6279 -2.3200 17DOPE H5Y 2155 4.917 3.298 5.660 1.1532 2.0657 -0.8821 17DOPE C36 2156 4.815 3.483 5.629 -0.1102 0.3519 0.0453 17DOPE H6X 2157 4.874 3.562 5.680 -0.1125 0.4604 -0.1194 17DOPE H6Y 2158 4.851 3.465 5.525 -0.3032 -1.2399 0.2281 17DOPE C37 2159 4.678 3.551 5.618 -0.1302 0.2280 -0.5127 17DOPE H7X 2160 4.610 3.480 5.567 0.6377 -0.7908 -0.1616 17DOPE H7Y 2161 4.636 3.562 5.720 0.0304 1.0514 -0.5252 17DOPE C38 2162 4.675 3.691 5.555 -0.1239 0.4833 0.0489 17DOPE H8X 2163 4.725 3.671 5.458 0.3875 -2.5815 0.8288 17DOPE H8Y 2164 4.568 3.709 5.532 0.0835 1.9704 0.1654 17DOPE C39 2165 4.747 3.789 5.644 -0.0927 -0.1149 0.6925 17DOPE H9X 2166 4.851 3.754 5.655 -0.6562 -3.2363 -2.1322 17DOPE C310 2167 4.701 3.908 5.686 0.0945 0.3829 -0.4652 17DOPE H10X 2168 4.756 3.974 5.755 -2.8176 1.4017 1.0536 17DOPE C311 2169 4.559 3.954 5.680 -0.2571 -0.6685 -0.5282 17DOPE H11X 2170 4.486 3.878 5.645 -0.4861 -0.7170 0.0339 17DOPE H11Y 2171 4.526 3.986 5.782 -0.2633 -1.4670 -0.2733 17DOPE C312 2172 4.548 4.076 5.588 0.0555 -0.0535 0.2274 17DOPE H12X 2173 4.638 4.139 5.605 2.4473 -2.8665 -0.9549 17DOPE H12Y 2174 4.456 4.132 5.613 -0.5607 -0.5903 -0.7381 17DOPE C313 2175 4.534 4.043 5.439 -0.0487 -0.1916 0.2676 17DOPE H13X 2176 4.614 3.979 5.396 -0.3006 -0.7571 0.6285 17DOPE H13Y 2177 4.441 3.985 5.421 0.2445 0.1672 -3.1759 17DOPE C314 2178 4.521 4.173 5.358 0.8299 -0.2463 0.0257 17DOPE H14X 2179 4.605 4.237 5.392 1.3848 -1.0239 0.1438 17DOPE H14Y 2180 4.419 4.213 5.379 1.0185 0.9278 -1.1441 17DOPE C315 2181 4.524 4.146 5.208 0.1235 -1.0159 0.1392 17DOPE H15X 2182 4.455 4.065 5.177 -2.0818 0.2397 1.5342 17DOPE H15Y 2183 4.632 4.130 5.189 0.7834 1.4637 1.3874 17DOPE C316 2184 4.472 4.269 5.133 -0.0676 -0.8807 0.4938 17DOPE H16X 2185 4.522 4.362 5.165 -1.6617 -0.0490 0.6734 17DOPE H16Y 2186 4.362 4.276 5.151 -0.4121 -2.9296 -0.4986 17DOPE C317 2187 4.480 4.244 4.982 0.6978 0.9104 0.2161 17DOPE H17X 2188 4.420 4.156 4.952 0.1865 1.5531 -0.6709 17DOPE H17Y 2189 4.589 4.228 4.969 1.2136 1.6848 2.8475 17DOPE C318 2190 4.436 4.362 4.896 -0.2580 -0.2295 -0.9043 17DOPE H18X 2191 4.456 4.357 4.787 -0.0838 1.9214 -1.0262 17DOPE H18Y 2192 4.476 4.456 4.940 0.8077 -1.2299 0.3585 17DOPE H18Z 2193 4.326 4.371 4.902 -0.1898 0.6491 -0.7759 18DOPE N 2194 1.836 3.397 6.645 0.4902 -0.0738 0.1389 18DOPE HN1 2195 1.887 3.462 6.582 -1.3460 1.4103 0.0868 18DOPE HN2 2196 1.789 3.325 6.587 -1.2718 0.7559 0.4602 18DOPE HN3 2197 1.763 3.455 6.692 -0.9897 -0.1057 -1.9764 18DOPE C12 2198 1.928 3.322 6.738 0.3395 -0.6918 -0.2062 18DOPE H12A 2199 1.980 3.252 6.668 0.3563 2.1673 -3.3136 18DOPE H12B 2200 1.869 3.255 6.804 0.3438 0.1403 0.6477 18DOPE C11 2201 2.024 3.419 6.807 -0.6768 -0.0351 0.2943 18DOPE H11A 2202 2.088 3.354 6.869 0.4624 -2.0888 -2.8264 18DOPE H11B 2203 1.961 3.478 6.877 -1.2400 -1.7174 1.2445 18DOPE P 2204 2.245 3.488 6.704 -0.2005 0.2967 0.0301 18DOPE O13 2205 2.313 3.512 6.833 0.1217 0.0932 -0.0990 18DOPE O14 2206 2.299 3.566 6.590 0.4755 -0.2102 -0.0022 18DOPE O11 2207 2.247 3.332 6.667 0.2933 0.2762 0.1457 18DOPE O12 2208 2.086 3.506 6.712 -0.1816 0.1547 0.7885 18DOPE C1 2209 2.350 3.253 6.727 0.2270 -0.0298 -0.1454 18DOPE HA 2210 2.322 3.145 6.725 0.1064 -0.0602 1.6162 18DOPE HB 2211 2.360 3.273 6.836 0.4873 1.4807 -0.4362 18DOPE C2 2212 2.492 3.285 6.677 0.3728 -0.3950 0.0255 18DOPE HS 2213 2.521 3.382 6.723 0.4147 -0.8582 1.0187 18DOPE O21 2214 2.478 3.298 6.536 -0.0802 -0.0020 0.1035 18DOPE C21 2215 2.584 3.362 6.485 -0.1410 0.2641 0.3055 18DOPE O22 2216 2.681 3.398 6.549 -0.3043 0.1901 0.5996 18DOPE C22 2217 2.561 3.384 6.337 -0.2527 0.5680 0.3684 18DOPE H2R 2218 2.454 3.413 6.330 -0.3148 0.0721 -1.0972 18DOPE H2S 2219 2.560 3.287 6.282 0.6828 2.4774 -3.4291 18DOPE C3 2220 2.593 3.178 6.720 0.1100 -0.5383 0.2953 18DOPE HX 2221 2.576 3.154 6.827 -0.9379 -0.3594 0.1812 18DOPE HY 2222 2.697 3.211 6.700 -0.1381 -0.9893 -2.0022 18DOPE O31 2223 2.571 3.067 6.633 0.0016 -0.1509 -0.1761 18DOPE C31 2224 2.675 2.994 6.593 0.1671 0.0395 -0.0939 18DOPE O32 2225 2.793 3.024 6.603 0.1646 0.2727 -0.6951 18DOPE C32 2226 2.621 2.869 6.524 -0.2637 0.1447 0.0500 18DOPE H2X 2227 2.577 2.795 6.594 -1.5248 2.4244 1.8051 18DOPE H2Y 2228 2.527 2.887 6.467 0.7404 0.7459 -1.4808 18DOPE C23 2229 2.653 3.493 6.279 0.1450 -0.1310 -0.3409 18DOPE H3R 2230 2.753 3.446 6.275 1.1982 2.0387 -0.7234 18DOPE H3S 2231 2.657 3.586 6.339 0.0202 -1.2705 1.5370 18DOPE C24 2232 2.615 3.519 6.133 0.2689 -0.1981 -0.3854 18DOPE H4R 2233 2.583 3.427 6.081 -0.3872 -0.9098 1.2026 18DOPE H4S 2234 2.706 3.562 6.086 -0.6387 1.4632 -0.7036 18DOPE C25 2235 2.504 3.624 6.124 -0.4142 -0.8787 0.0279 18DOPE H5R 2236 2.535 3.712 6.184 -3.7956 1.0216 -0.7282 18DOPE H5S 2237 2.413 3.580 6.171 0.1830 -2.9526 -0.6538 18DOPE C26 2238 2.473 3.667 5.981 0.0043 0.0637 0.2122 18DOPE H6R 2239 2.442 3.576 5.925 0.2731 0.7138 -1.0474 18DOPE H6S 2240 2.569 3.712 5.949 -0.9062 0.5760 -2.0714 18DOPE C27 2241 2.356 3.766 5.982 -0.0469 0.0033 0.2142 18DOPE H7R 2242 2.386 3.864 6.026 -0.4653 -0.4696 1.6162 18DOPE H7S 2243 2.272 3.722 6.040 -1.5394 0.0148 -1.8448 18DOPE C28 2244 2.307 3.799 5.841 0.0859 -0.2294 0.1123 18DOPE H8R 2245 2.291 3.704 5.785 1.0887 -0.1298 -0.3538 18DOPE H8S 2246 2.380 3.854 5.778 -1.1187 -0.2221 -1.3353 18DOPE C29 2247 2.172 3.864 5.855 0.0335 -0.2901 -0.1080 18DOPE H9R 2248 2.162 3.899 5.959 0.7689 -0.2862 -0.0310 18DOPE C210 2249 2.074 3.875 5.765 0.0187 0.1365 -0.0453 18DOPE H10R 2250 1.978 3.915 5.802 -0.4690 -1.0825 0.0754 18DOPE C211 2251 2.079 3.827 5.622 -0.0691 -0.0487 0.0132 18DOPE H11R 2252 2.002 3.752 5.595 0.4738 -0.7582 0.4099 18DOPE H11S 2253 2.176 3.779 5.597 -0.4007 -0.5982 -0.2270 18DOPE C212 2254 2.056 3.951 5.536 0.3397 0.0245 0.0097 18DOPE H12R 2255 2.137 4.025 5.556 0.6508 -0.6446 1.3558 18DOPE H12S 2256 1.964 4.005 5.569 -2.0553 -2.0373 -2.7847 18DOPE C213 2257 2.045 3.921 5.387 0.1379 -0.3975 0.1079 18DOPE H13R 2258 1.949 3.872 5.359 -0.2659 0.8386 -0.7822 18DOPE H13S 2259 2.122 3.851 5.350 0.3631 -0.5271 0.8158 18DOPE C214 2260 2.045 4.057 5.316 -0.1305 -0.3221 0.2493 18DOPE H14R 2261 2.144 4.104 5.335 0.5023 -0.8588 -1.5316 18DOPE H14S 2262 1.962 4.122 5.349 1.1192 0.1855 2.6653 18DOPE C215 2263 2.031 4.037 5.165 0.0729 0.4079 0.1297 18DOPE H15R 2264 2.031 4.140 5.124 -0.1158 -0.1070 -1.2274 18DOPE H15S 2265 1.936 3.986 5.136 0.2229 -0.3094 0.8572 18DOPE C216 2266 2.148 3.970 5.095 -0.1773 -0.0179 0.1154 18DOPE H16R 2267 2.149 3.862 5.121 0.2183 -0.1060 -0.2395 18DOPE H16S 2268 2.238 4.024 5.130 -0.2873 0.7251 -0.7057 18DOPE C217 2269 2.146 3.988 4.943 0.2366 -0.0773 0.0999 18DOPE H17R 2270 2.247 3.977 4.897 0.1565 1.1028 -0.3781 18DOPE H17S 2271 2.113 4.092 4.926 1.4601 0.8315 2.8425 18DOPE C218 2272 2.044 3.909 4.860 0.0278 0.5340 -0.2337 18DOPE H18R 2273 2.088 3.871 4.765 -1.0523 1.2688 -1.0509 18DOPE H18S 2274 1.956 3.974 4.842 -0.5623 0.1337 1.0535 18DOPE H18T 2275 1.995 3.829 4.920 -0.3327 1.5096 0.8063 18DOPE C33 2276 2.720 2.812 6.422 -0.6892 0.2758 -0.4427 18DOPE H3X 2277 2.771 2.893 6.367 0.9945 0.7587 1.7046 18DOPE H3Y 2278 2.805 2.764 6.476 -1.6177 0.5205 1.3261 18DOPE C34 2279 2.655 2.719 6.320 -0.2197 -0.2401 -0.2797 18DOPE H4X 2280 2.635 2.623 6.373 0.8337 0.2977 1.1588 18DOPE H4Y 2281 2.562 2.764 6.278 -0.5545 1.1684 1.8193 18DOPE C35 2282 2.762 2.702 6.212 0.0606 -0.3045 0.0087 18DOPE H5X 2283 2.800 2.804 6.192 -1.2976 0.1537 -0.3460 18DOPE H5Y 2284 2.848 2.642 6.250 -1.2144 -1.5285 1.0844 18DOPE C36 2285 2.717 2.638 6.081 0.0770 0.2371 -0.2654 18DOPE H6X 2286 2.694 2.531 6.104 0.7051 0.2863 0.6454 18DOPE H6Y 2287 2.623 2.684 6.043 -2.0392 -1.3570 2.6104 18DOPE C37 2288 2.834 2.639 5.983 0.1987 -0.2741 -0.1327 18DOPE H7X 2289 2.852 2.744 5.951 -0.0367 -0.4156 -0.7398 18DOPE H7Y 2290 2.937 2.610 6.013 1.3114 2.3111 -1.0627 18DOPE C38 2291 2.803 2.551 5.862 -0.2807 0.0227 -0.2290 18DOPE H8X 2292 2.701 2.585 5.833 -0.3356 0.1244 0.0809 18DOPE H8Y 2293 2.872 2.574 5.778 -0.8555 -0.8551 -0.9714 18DOPE C39 2294 2.800 2.403 5.889 0.0051 0.0897 0.1663 18DOPE H9X 2295 2.768 2.385 5.993 -0.7110 1.1600 0.1485 18DOPE C310 2296 2.826 2.302 5.806 -0.5765 -0.0733 0.1807 18DOPE H10X 2297 2.838 2.200 5.846 0.3989 0.5669 1.6333 18DOPE C311 2298 2.853 2.315 5.659 0.1523 0.1140 0.3295 18DOPE H11X 2299 2.816 2.414 5.627 -1.1666 0.2687 2.1735 18DOPE H11Y 2300 2.962 2.308 5.635 0.0349 0.4963 -0.3359 18DOPE C312 2301 2.779 2.205 5.584 -0.2614 0.6147 0.0016 18DOPE H12X 2302 2.808 2.111 5.636 0.7489 -0.0051 -1.6152 18DOPE H12Y 2303 2.669 2.225 5.589 -0.0253 1.7586 1.1402 18DOPE C313 2304 2.821 2.187 5.438 -0.0734 -0.3235 0.1611 18DOPE H13X 2305 2.930 2.164 5.435 0.3250 1.3187 0.6837 18DOPE H13Y 2306 2.772 2.103 5.385 0.3483 0.4559 -1.5366 18DOPE C314 2307 2.812 2.323 5.367 0.1543 -0.4487 -0.1093 18DOPE H14X 2308 2.873 2.406 5.408 -2.1621 1.7341 -0.8025 18DOPE H14Y 2309 2.848 2.307 5.263 -2.8863 0.4666 -1.4100 18DOPE C315 2310 2.672 2.384 5.362 0.4195 0.1675 -0.1003 18DOPE H15X 2311 2.647 2.430 5.460 -0.1238 -0.4015 0.0380 18DOPE H15Y 2312 2.588 2.317 5.334 -1.5125 3.2868 -2.5198 18DOPE C316 2313 2.674 2.506 5.269 -0.2506 0.7646 0.6536 18DOPE H16X 2314 2.718 2.599 5.310 1.8746 1.7505 -3.4068 18DOPE H16Y 2315 2.749 2.482 5.191 0.9672 0.4654 1.8660 18DOPE C317 2316 2.545 2.541 5.194 0.2337 0.2637 -0.4319 18DOPE H17X 2317 2.497 2.450 5.151 -2.4999 2.0384 -1.3549 18DOPE H17Y 2318 2.472 2.591 5.262 -0.7592 -1.0911 -0.4485 18DOPE C318 2319 2.565 2.622 5.067 0.5064 0.4919 -0.2440 18DOPE H18X 2320 2.651 2.581 5.010 0.5980 1.0586 -0.5184 18DOPE H18Y 2321 2.472 2.620 5.006 0.1422 0.3291 0.3118 18DOPE H18Z 2322 2.593 2.727 5.090 -0.2671 0.6023 0.1988 19DOPE N 2323 0.599 3.039 6.855 -0.5247 -0.1374 0.0138 19DOPE HN1 2324 0.549 3.130 6.861 -1.0053 -0.3569 -0.4556 19DOPE HN2 2325 0.551 2.978 6.785 2.4569 -2.2590 -0.3605 19DOPE HN3 2326 0.693 3.067 6.822 -0.0161 -0.9430 0.7626 19DOPE C12 2327 0.608 2.960 6.983 0.3028 0.2150 0.1769 19DOPE H12A 2328 0.502 2.949 7.015 0.4130 0.0673 0.4978 19DOPE H12B 2329 0.654 3.030 7.055 -0.4395 0.7887 0.1009 19DOPE C11 2330 0.686 2.829 6.967 0.2103 0.1548 0.2218 19DOPE H11A 2331 0.621 2.762 6.906 0.4951 0.3162 -0.2682 19DOPE H11B 2332 0.703 2.781 7.066 -0.0018 -2.2305 -0.8284 19DOPE P 2333 0.906 2.719 6.892 -0.1626 0.0983 0.1986 19DOPE O13 2334 1.036 2.751 6.955 -0.1519 0.2541 0.0994 19DOPE O14 2335 0.838 2.596 6.938 0.0659 -0.0534 0.1346 19DOPE O11 2336 0.922 2.700 6.734 -0.2835 0.0728 0.1890 19DOPE O12 2337 0.809 2.846 6.897 -0.0494 0.2023 -0.2283 19DOPE C1 2338 0.959 2.810 6.651 -0.4010 -0.2840 -0.3419 19DOPE HA 2339 1.057 2.789 6.602 0.2229 2.0659 -0.2294 19DOPE HB 2340 0.975 2.905 6.707 -3.6091 0.4503 -0.4821 19DOPE C2 2341 0.844 2.844 6.555 -0.2487 0.2794 -0.3277 19DOPE HS 2342 0.758 2.877 6.617 -0.9528 -1.4908 -0.3146 19DOPE O21 2343 0.818 2.721 6.488 0.2036 -0.1931 0.3538 19DOPE C21 2344 0.689 2.707 6.457 0.0933 0.3825 0.5435 19DOPE O22 2345 0.600 2.787 6.482 -0.5774 -0.2615 0.2807 19DOPE C22 2346 0.672 2.574 6.384 0.2674 0.6761 -0.0350 19DOPE H2R 2347 0.655 2.490 6.454 0.3008 1.2847 0.7087 19DOPE H2S 2348 0.753 2.552 6.311 0.1229 -2.5194 0.6190 19DOPE C3 2349 0.871 2.956 6.453 -0.0021 -0.0041 -0.5772 19DOPE HX 2350 0.870 3.058 6.497 0.3143 0.3033 -1.2633 19DOPE HY 2351 0.789 2.949 6.379 0.6815 -1.2707 -1.2447 19DOPE O31 2352 0.990 2.921 6.381 0.2081 -0.3530 -0.0628 19DOPE C31 2353 0.976 2.867 6.260 0.3812 -0.9958 0.2000 19DOPE O32 2354 0.869 2.854 6.203 -0.0868 0.6972 0.6339 19DOPE C32 2355 1.113 2.814 6.220 0.4651 -0.5316 -0.1384 19DOPE H2X 2356 1.190 2.843 6.295 -0.6658 -0.6958 1.1297 19DOPE H2Y 2357 1.105 2.703 6.212 1.2695 -0.9392 3.0667 19DOPE C23 2358 0.541 2.575 6.305 0.2553 0.0887 -0.0271 19DOPE H3R 2359 0.531 2.671 6.249 -0.5795 -0.8552 -1.5724 19DOPE H3S 2360 0.456 2.570 6.377 1.1698 1.0023 1.1570 19DOPE C24 2361 0.540 2.465 6.199 -0.0653 -0.3512 0.4294 19DOPE H4R 2362 0.517 2.366 6.244 -1.4666 -0.4689 -0.4937 19DOPE H4S 2363 0.639 2.448 6.151 0.3355 -0.5502 1.3052 19DOPE C25 2364 0.430 2.486 6.095 0.5673 0.2558 -0.1244 19DOPE H5R 2365 0.442 2.582 6.040 -0.5442 0.4958 0.0164 19DOPE H5S 2366 0.332 2.503 6.144 0.6466 -0.4850 0.3056 19DOPE C26 2367 0.412 2.378 5.988 0.5196 0.2329 -0.0930 19DOPE H6R 2368 0.415 2.274 6.028 -1.1225 -0.2037 -1.0149 19DOPE H6S 2369 0.500 2.383 5.920 0.1425 -1.0579 -0.7030 19DOPE C27 2370 0.287 2.390 5.901 0.3605 -0.0242 0.0983 19DOPE H7R 2371 0.312 2.435 5.803 -2.5064 1.0625 -0.2472 19DOPE H7S 2372 0.212 2.459 5.946 0.9169 0.7837 -0.1849 19DOPE C28 2373 0.211 2.257 5.897 0.4377 -0.0566 -0.2607 19DOPE H8R 2374 0.157 2.248 5.993 -0.5432 2.1685 -0.5197 19DOPE H8S 2375 0.282 2.175 5.873 0.5464 0.2093 -0.8855 19DOPE C29 2376 0.107 2.258 5.789 0.0880 -0.1009 0.0761 19DOPE H9R 2377 0.045 2.350 5.787 -0.8265 -0.7011 -1.9035 19DOPE C210 2378 0.070 2.152 5.716 -0.4257 0.4115 -0.4245 19DOPE H10R 2379 -0.006 2.167 5.638 -0.6671 0.7770 -0.1261 19DOPE C211 2380 0.127 2.013 5.727 -0.1610 0.4933 -0.7412 19DOPE H11R 2381 0.043 1.946 5.698 1.2675 -1.1420 -1.1794 19DOPE H11S 2382 0.147 1.990 5.833 -0.0801 -0.7994 -1.0275 19DOPE C212 2383 0.248 1.971 5.643 -0.0723 -0.5877 -0.0882 19DOPE H12R 2384 0.271 1.866 5.668 -0.7324 -0.7145 0.0203 19DOPE H12S 2385 0.327 2.041 5.678 0.4856 -1.8801 1.3627 19DOPE C213 2386 0.227 1.983 5.492 0.1211 0.1491 -0.0621 19DOPE H13R 2387 0.133 1.929 5.467 0.7252 -1.2802 0.6240 19DOPE H13S 2388 0.318 1.942 5.444 1.1323 0.4267 1.5343 19DOPE C214 2389 0.210 2.126 5.439 -0.1509 0.1145 -0.0712 19DOPE H14R 2390 0.299 2.185 5.469 -0.3414 -0.4443 1.7433 19DOPE H14S 2391 0.121 2.174 5.484 -0.4802 -0.5267 -0.0194 19DOPE C215 2392 0.185 2.129 5.288 -0.0354 -0.0492 -0.0939 19DOPE H15R 2393 0.082 2.094 5.266 0.1754 -0.6100 -0.2020 19DOPE H15S 2394 0.248 2.051 5.241 0.9768 1.2831 -1.0185 19DOPE C216 2395 0.206 2.267 5.227 0.1284 -0.0924 -0.1366 19DOPE H16R 2396 0.314 2.292 5.228 0.1594 -0.0494 -1.6968 19DOPE H16S 2397 0.149 2.336 5.294 0.6790 -0.9236 1.2299 19DOPE C217 2398 0.157 2.281 5.083 0.2881 0.0864 -0.1743 19DOPE H17R 2399 0.192 2.194 5.024 -2.9255 -0.5777 -1.3542 19DOPE H17S 2400 0.208 2.371 5.043 -0.2173 0.7868 0.7345 19DOPE C218 2401 0.008 2.279 5.047 0.2404 -0.1452 0.0342 19DOPE H18R 2402 -0.036 2.367 5.099 -0.4288 0.9121 -2.2115 19DOPE H18S 2403 -0.054 2.191 5.076 0.4535 -0.3483 -0.1215 19DOPE H18T 2404 -0.021 2.293 4.941 -2.0500 -3.0189 0.1621 19DOPE C33 2405 1.148 2.884 6.089 0.1978 -0.9192 -0.4197 19DOPE H3X 2406 1.255 2.909 6.107 0.2305 0.5959 -2.3738 19DOPE H3Y 2407 1.102 2.985 6.086 -0.2109 -1.0379 1.1348 19DOPE C34 2408 1.125 2.810 5.957 -0.2765 -0.6852 -0.4679 19DOPE H4X 2409 1.148 2.702 5.966 -0.7809 -1.0337 -2.8550 19DOPE H4Y 2410 1.014 2.812 5.944 -0.2390 -0.7743 -0.8127 19DOPE C35 2411 1.201 2.874 5.841 0.1448 -0.0954 0.1288 19DOPE H5X 2412 1.305 2.880 5.878 -0.6538 -1.3885 2.8403 19DOPE H5Y 2413 1.153 2.974 5.831 -2.8588 -1.4175 0.0680 19DOPE C36 2414 1.199 2.789 5.715 0.2143 -0.0317 0.0846 19DOPE H6X 2415 1.100 2.739 5.702 1.0226 -2.0444 1.1418 19DOPE H6Y 2416 1.270 2.704 5.720 0.3895 -0.0904 -2.0934 19DOPE C37 2417 1.234 2.872 5.591 0.0351 0.2447 0.2171 19DOPE H7X 2418 1.165 2.957 5.578 -0.4608 -0.1973 -0.0914 19DOPE H7Y 2419 1.333 2.914 5.617 -0.0818 0.4600 0.3115 19DOPE C38 2420 1.255 2.785 5.467 -0.1930 0.3598 0.0970 19DOPE H8X 2421 1.320 2.694 5.475 -0.2788 0.2186 -0.7063 19DOPE H8Y 2422 1.157 2.742 5.437 0.2070 1.5042 -3.2468 19DOPE C39 2423 1.303 2.875 5.357 0.0986 0.0055 -0.0701 19DOPE H9X 2424 1.303 2.983 5.376 -1.7277 -0.0494 0.4854 19DOPE C310 2425 1.375 2.835 5.251 0.3406 -0.2404 0.1877 19DOPE H10X 2426 1.396 2.917 5.181 0.4019 1.1674 1.8026 19DOPE C311 2427 1.425 2.699 5.211 0.3511 -0.2829 0.3453 19DOPE H11X 2428 1.404 2.633 5.298 -1.1051 -2.9612 -1.8770 19DOPE H11Y 2429 1.535 2.709 5.203 0.3281 0.5563 0.9076 19DOPE C312 2430 1.370 2.646 5.079 0.5126 -0.0304 0.1778 19DOPE H12X 2431 1.401 2.714 4.997 -0.3671 -1.5496 -1.4944 19DOPE H12Y 2432 1.260 2.650 5.089 0.3508 -1.5119 -0.7491 19DOPE C313 2433 1.419 2.503 5.056 0.1978 -0.0738 -0.2433 19DOPE H13X 2434 1.528 2.516 5.045 0.2406 -0.0570 0.1869 19DOPE H13Y 2435 1.395 2.428 5.136 -0.5963 -0.0652 -0.4644 19DOPE C314 2436 1.366 2.445 4.925 0.1189 0.1057 -0.2913 19DOPE H14X 2437 1.425 2.356 4.891 1.4909 0.9867 -0.3201 19DOPE H14Y 2438 1.382 2.517 4.842 -3.6060 -0.2778 -1.5297 19DOPE C315 2439 1.218 2.410 4.908 -0.0614 0.5051 0.4399 19DOPE H15X 2440 1.196 2.384 4.802 1.3988 -2.5924 0.7828 19DOPE H15Y 2441 1.152 2.495 4.937 -1.3839 -0.7282 1.1492 19DOPE C316 2442 1.172 2.284 4.982 -0.0537 0.1035 -0.2346 19DOPE H16X 2443 1.231 2.199 4.942 2.1151 1.5791 -0.3768 19DOPE H16Y 2444 1.193 2.305 5.089 -0.7466 0.6913 -0.2105 19DOPE C317 2445 1.028 2.243 4.952 0.1506 -0.4881 -0.4121 19DOPE H17X 2446 1.022 2.247 4.841 -1.1212 -0.1070 -0.3374 19DOPE H17Y 2447 0.971 2.325 4.998 0.6348 1.2291 -2.6899 19DOPE C318 2448 0.993 2.105 5.007 -0.5740 -0.1783 -0.0932 19DOPE H18X 2449 0.887 2.079 4.985 -0.3653 -1.2169 0.0834 19DOPE H18Y 2450 1.063 2.035 4.956 -0.3060 1.0210 -1.4212 19DOPE H18Z 2451 1.016 2.099 5.115 -1.5455 3.6653 0.4526 20DOPE N 2452 4.455 1.300 7.045 -0.1460 -0.1887 0.5556 20DOPE HN1 2453 4.385 1.241 7.095 0.8280 -1.1630 0.8051 20DOPE HN2 2454 4.446 1.282 6.943 0.2255 -1.6028 0.7575 20DOPE HN3 2455 4.545 1.254 7.069 1.0624 1.4359 -0.6164 20DOPE C12 2456 4.459 1.445 7.089 -0.1352 -0.1191 0.3276 20DOPE H12A 2457 4.485 1.449 7.198 4.0530 2.6084 -0.5421 20DOPE H12B 2458 4.361 1.493 7.069 -0.7588 -0.1756 2.8686 20DOPE C11 2459 4.572 1.511 7.010 -0.2771 0.0237 0.2453 20DOPE H11A 2460 4.671 1.467 7.034 0.3666 1.1854 -0.1717 20DOPE H11B 2461 4.570 1.618 7.039 0.2258 0.0592 0.1544 20DOPE P 2462 4.551 1.629 6.790 0.5744 0.3486 0.5231 20DOPE O13 2463 4.670 1.708 6.828 0.7693 0.2476 0.1345 20DOPE O14 2464 4.417 1.689 6.806 0.0815 -0.4659 -0.4225 20DOPE O11 2465 4.568 1.584 6.637 -0.6986 0.0703 0.4561 20DOPE O12 2466 4.558 1.490 6.869 0.2673 0.1310 0.1728 20DOPE C1 2467 4.470 1.495 6.582 -0.4255 -0.1636 0.3480 20DOPE HA 2468 4.366 1.525 6.606 -1.1523 -0.4773 -2.1223 20DOPE HB 2469 4.491 1.394 6.623 0.2699 -0.7096 -1.2385 20DOPE C2 2470 4.487 1.478 6.430 -0.4467 0.0738 0.3186 20DOPE HS 2471 4.583 1.429 6.402 0.0677 0.8223 0.7446 20DOPE O21 2472 4.514 1.603 6.367 0.1620 -0.1613 0.1101 20DOPE C21 2473 4.428 1.705 6.366 -0.0259 -0.3167 -0.8871 20DOPE O22 2474 4.311 1.697 6.400 0.2889 -0.4539 0.2110 20DOPE C22 2475 4.485 1.838 6.321 -0.1021 -0.2211 -0.7025 20DOPE H2R 2476 4.563 1.827 6.243 0.8800 0.3318 0.1738 20DOPE H2S 2477 4.530 1.883 6.412 -1.2432 0.4821 -0.4658 20DOPE C3 2478 4.372 1.402 6.361 0.2586 -0.5359 -0.2044 20DOPE HX 2479 4.281 1.461 6.386 0.7754 -0.3959 1.4545 20DOPE HY 2480 4.369 1.298 6.398 -0.2280 0.2663 2.1467 20DOPE O31 2481 4.386 1.406 6.218 -0.0393 -0.2088 -0.2255 20DOPE C31 2482 4.481 1.331 6.163 0.4014 0.2840 -0.1479 20DOPE O32 2483 4.570 1.274 6.224 -0.4392 -0.5092 0.3607 20DOPE C32 2484 4.453 1.312 6.014 -0.3454 0.1498 0.0057 20DOPE H2X 2485 4.556 1.302 5.975 -0.5677 -0.2799 -0.4806 20DOPE H2Y 2486 4.395 1.219 5.995 0.4547 -0.2255 -0.6150 20DOPE C23 2487 4.371 1.931 6.279 -0.1161 -0.0130 -0.2039 20DOPE H3R 2488 4.407 2.036 6.273 -1.3063 0.3922 -0.6676 20DOPE H3S 2489 4.291 1.939 6.356 0.2509 -1.2874 0.3313 20DOPE C24 2490 4.307 1.896 6.144 -0.2682 0.5684 -0.2849 20DOPE H4R 2491 4.225 1.970 6.129 0.0879 0.9666 -0.3105 20DOPE H4S 2492 4.263 1.795 6.143 1.5734 -0.2677 -0.6204 20DOPE C25 2493 4.412 1.903 6.033 0.1183 0.0995 0.0470 20DOPE H5R 2494 4.497 1.833 6.049 1.2991 0.6435 -3.1354 20DOPE H5S 2495 4.475 1.994 6.033 0.6046 -0.2276 -0.6356 20DOPE C26 2496 4.349 1.858 5.901 0.1636 -0.1833 0.1200 20DOPE H6R 2497 4.253 1.912 5.888 0.6139 0.3714 -1.0574 20DOPE H6S 2498 4.316 1.752 5.907 0.4426 -0.2151 1.1671 20DOPE C27 2499 4.436 1.878 5.777 0.4876 0.6913 0.4807 20DOPE H7R 2500 4.538 1.863 5.820 0.3990 0.7394 0.7089 20DOPE H7S 2501 4.431 1.980 5.731 3.8886 0.1643 -1.4550 20DOPE C28 2502 4.430 1.779 5.660 -0.0083 0.8868 0.3379 20DOPE H8R 2503 4.479 1.685 5.693 -0.6891 0.7687 1.0501 20DOPE H8S 2504 4.488 1.818 5.574 0.7865 -1.1634 -0.1234 20DOPE C29 2505 4.286 1.758 5.625 0.2766 0.1864 -0.4413 20DOPE H9R 2506 4.221 1.717 5.703 -0.6672 2.1881 -0.1165 20DOPE C210 2507 4.225 1.778 5.507 0.0653 0.0811 -0.3500 20DOPE H10R 2508 4.123 1.739 5.494 -0.0130 -0.0295 0.5221 20DOPE C211 2509 4.303 1.813 5.383 -0.1070 -0.5470 -0.6391 20DOPE H11R 2510 4.350 1.731 5.325 -0.3763 0.3410 -2.1664 20DOPE H11S 2511 4.382 1.885 5.412 -0.4093 -0.6888 0.6284 20DOPE C212 2512 4.209 1.865 5.274 0.1582 0.7274 -0.2776 20DOPE H12R 2513 4.155 1.956 5.306 -0.5747 0.1084 0.2865 20DOPE H12S 2514 4.133 1.788 5.249 0.6908 0.0614 0.1170 20DOPE C213 2515 4.282 1.897 5.143 -0.1421 -0.2400 -0.6917 20DOPE H13R 2516 4.337 1.807 5.110 0.3401 -0.1994 -0.0213 20DOPE H13S 2517 4.355 1.979 5.155 -0.1716 0.0095 -2.0630 20DOPE C214 2518 4.180 1.952 5.042 -0.3227 0.2969 -0.2246 20DOPE H14R 2519 4.121 2.032 5.091 -0.8621 0.0184 -0.4173 20DOPE H14S 2520 4.121 1.862 5.014 2.3161 -2.0076 1.0825 20DOPE C215 2521 4.242 2.024 4.922 0.7187 -0.4211 -0.1358 20DOPE H15R 2522 4.284 1.937 4.867 1.9759 -1.5157 2.3732 20DOPE H15S 2523 4.332 2.084 4.949 0.3553 0.5620 -1.0277 20DOPE C216 2524 4.147 2.106 4.834 0.4372 -0.1107 0.4525 20DOPE H16R 2525 4.116 2.200 4.885 0.0352 0.3911 -0.6875 20DOPE H16S 2526 4.060 2.040 4.816 -1.2778 2.3190 -0.7760 20DOPE C217 2527 4.206 2.144 4.698 -0.2053 -0.1059 0.1744 20DOPE H17R 2528 4.291 2.212 4.716 0.7333 -0.7990 -1.3921 20DOPE H17S 2529 4.133 2.202 4.637 -0.5469 -2.6970 -2.0563 20DOPE C218 2530 4.264 2.027 4.618 0.2171 -0.1268 0.5105 20DOPE H18R 2531 4.307 2.066 4.524 0.0910 -0.8518 0.1439 20DOPE H18S 2532 4.184 1.950 4.604 0.7126 -0.7734 1.1488 20DOPE H18T 2533 4.335 1.973 4.684 -0.4236 1.3389 2.5425 20DOPE C33 2534 4.377 1.432 5.958 -0.2212 0.3396 0.2436 20DOPE H3X 2535 4.447 1.518 5.965 0.4761 0.1652 -3.1286 20DOPE H3Y 2536 4.289 1.465 6.018 -1.8982 -0.2894 -1.7409 20DOPE C34 2537 4.338 1.411 5.812 0.2321 0.6285 0.0775 20DOPE H4X 2538 4.274 1.494 5.776 2.1647 1.6308 -1.1861 20DOPE H4Y 2539 4.273 1.321 5.806 0.0131 0.8167 -0.4081 20DOPE C35 2540 4.448 1.395 5.707 -0.1558 0.3263 -0.2838 20DOPE H5X 2541 4.506 1.303 5.731 -0.5622 0.2016 0.2571 20DOPE H5Y 2542 4.512 1.483 5.724 -0.6311 0.4482 0.9421 20DOPE C36 2543 4.392 1.378 5.565 0.3817 0.3878 -0.5069 20DOPE H6X 2544 4.317 1.295 5.566 -2.1122 2.5225 0.8116 20DOPE H6Y 2545 4.339 1.466 5.523 -1.2707 -1.2578 -2.0592 20DOPE C37 2546 4.504 1.335 5.470 0.5723 0.3864 -0.2834 20DOPE H7X 2547 4.581 1.414 5.460 0.4084 0.6170 0.2156 20DOPE H7Y 2548 4.547 1.243 5.514 0.9882 0.4091 -0.6409 20DOPE C38 2549 4.459 1.291 5.330 0.1921 -0.1407 -0.0024 20DOPE H8X 2550 4.390 1.207 5.349 -0.8669 0.4333 -1.1883 20DOPE H8Y 2551 4.542 1.247 5.272 -0.9565 0.4340 -2.1766 20DOPE C39 2552 4.395 1.400 5.249 0.1776 -0.5156 -0.4942 20DOPE H9X 2553 4.296 1.432 5.282 0.4442 -0.4651 0.2670 20DOPE C310 2554 4.449 1.463 5.144 0.3068 0.4412 0.1376 20DOPE H10X 2555 4.402 1.550 5.096 0.4749 1.2005 1.3164 20DOPE C311 2556 4.581 1.433 5.078 0.0185 0.0339 -0.2610 20DOPE H11X 2557 4.648 1.520 5.061 0.9708 -0.7114 -0.4250 20DOPE H11Y 2558 4.641 1.359 5.136 0.4650 2.7301 3.0419 20DOPE C312 2559 4.564 1.378 4.937 0.6961 0.1840 -0.4076 20DOPE H12X 2560 4.548 1.461 4.865 -2.3146 0.0740 -0.0114 20DOPE H12Y 2561 4.468 1.321 4.934 0.6072 0.1791 1.4988 20DOPE C313 2562 4.666 1.273 4.893 0.7422 -0.1387 0.4603 20DOPE H13X 2563 4.674 1.216 4.989 -0.1298 1.7191 1.6876 20DOPE H13Y 2564 4.631 1.207 4.811 -1.1810 0.1565 0.9958 20DOPE C314 2565 4.806 1.325 4.860 0.6222 -0.3665 -0.4261 20DOPE H14X 2566 4.881 1.249 4.890 0.7758 0.0909 0.3851 20DOPE H14Y 2567 4.822 1.422 4.911 -1.0468 -0.8083 1.0415 20DOPE C315 2568 4.829 1.352 4.711 0.2855 0.7323 -0.2865 20DOPE H15X 2569 4.935 1.380 4.694 0.1305 0.6143 -1.5271 20DOPE H15Y 2570 4.830 1.254 4.659 4.1928 0.7839 -0.6062 20DOPE C316 2571 4.740 1.451 4.635 -0.5597 0.1394 -0.0713 20DOPE H16X 2572 4.733 1.537 4.705 0.7238 -1.8337 2.6853 20DOPE H16Y 2573 4.638 1.406 4.633 -0.9404 0.6508 2.7089 20DOPE C317 2574 4.788 1.474 4.492 0.6436 0.2688 0.3481 20DOPE H17X 2575 4.897 1.497 4.494 1.0161 -1.3356 -0.2894 20DOPE H17Y 2576 4.796 1.378 4.438 -1.9130 -0.1100 0.5402 20DOPE C318 2577 4.714 1.568 4.398 0.0132 -0.3022 0.2716 20DOPE H18X 2578 4.706 1.667 4.448 1.0939 -0.4050 0.6495 20DOPE H18Y 2579 4.779 1.575 4.308 -1.4658 -1.5051 -0.9633 20DOPE H18Z 2580 4.612 1.527 4.377 -0.4191 1.4771 -1.4496 21DOPE N 2581 1.490 0.317 6.471 -0.6857 -0.0400 -0.1089 21DOPE HN1 2582 1.564 0.291 6.403 -0.2023 1.2598 -0.0908 21DOPE HN2 2583 1.394 0.307 6.431 -0.9341 -1.5034 0.7712 21DOPE HN3 2584 1.509 0.419 6.476 -3.0352 0.4140 2.8935 21DOPE C12 2585 1.508 0.239 6.599 0.2932 0.3481 -0.0049 21DOPE H12A 2586 1.488 0.135 6.566 -1.2156 -0.2479 2.4788 21DOPE H12B 2587 1.438 0.269 6.680 0.4391 1.4867 -0.2837 21DOPE C11 2588 1.647 0.268 6.655 0.2251 -0.1010 0.3994 21DOPE H11A 2589 1.664 0.187 6.730 -0.9437 -2.0259 -1.3206 21DOPE H11B 2590 1.653 0.371 6.695 -0.7618 0.1383 -0.0547 21DOPE P 2591 1.901 0.288 6.611 -0.0437 -0.1961 0.1222 21DOPE O13 2592 1.979 0.162 6.610 -0.2589 -0.3304 -0.6948 21DOPE O14 2593 1.888 0.360 6.740 -0.1840 0.1735 -0.0972 21DOPE O11 2594 1.974 0.389 6.511 0.0940 -0.2120 0.2057 21DOPE O12 2595 1.752 0.259 6.558 -0.0724 0.0629 0.0589 21DOPE C1 2596 1.887 0.481 6.444 0.2248 -0.1309 0.1478 21DOPE HA 2597 1.923 0.585 6.463 -0.0679 0.0174 -0.1137 21DOPE HB 2598 1.781 0.475 6.476 -0.0978 0.0704 -0.8676 21DOPE C2 2599 1.889 0.455 6.293 -0.2179 0.1876 0.0875 21DOPE HS 2600 1.818 0.372 6.276 2.1619 -2.0461 0.4716 21DOPE O21 2601 2.012 0.407 6.238 -0.1346 0.0124 0.4280 21DOPE C21 2602 2.122 0.483 6.237 -0.1012 -0.0376 -0.4497 21DOPE O22 2603 2.135 0.596 6.283 0.1639 -0.4445 0.5006 21DOPE C22 2604 2.240 0.401 6.188 0.0596 -0.1531 0.1176 21DOPE H2R 2605 2.223 0.375 6.081 0.3066 0.2329 -0.0193 21DOPE H2S 2606 2.257 0.301 6.232 -0.1972 0.4607 1.6931 21DOPE C3 2607 1.835 0.577 6.215 0.3672 0.4190 0.0368 21DOPE HX 2608 1.876 0.666 6.267 1.8141 -0.9160 1.2885 21DOPE HY 2609 1.726 0.582 6.239 0.2360 2.1589 -0.7745 21DOPE O31 2610 1.871 0.581 6.077 0.0494 0.1370 -0.0563 21DOPE C31 2611 1.787 0.516 5.997 0.0145 0.0495 0.0504 21DOPE O32 2612 1.699 0.440 6.034 -0.1888 0.3185 0.1238 21DOPE C32 2613 1.816 0.543 5.850 -0.3120 0.7257 0.1051 21DOPE H2X 2614 1.721 0.512 5.802 -0.4955 -0.1609 1.0095 21DOPE H2Y 2615 1.829 0.650 5.823 -1.6005 0.9342 0.2451 21DOPE C23 2616 2.366 0.487 6.199 -0.2519 0.3334 -0.0915 21DOPE H3R 2617 2.381 0.497 6.308 -0.1958 -2.6226 0.2375 21DOPE H3S 2618 2.335 0.582 6.149 0.5906 0.6178 -0.0821 21DOPE C24 2619 2.498 0.441 6.138 -0.5327 -0.2032 -0.2983 21DOPE H4R 2620 2.522 0.337 6.170 -0.5756 -0.4778 -1.1275 21DOPE H4S 2621 2.571 0.522 6.160 0.2008 -0.9887 0.2300 21DOPE C25 2622 2.482 0.452 5.986 -0.2637 -0.2127 -0.3291 21DOPE H5R 2623 2.479 0.560 5.960 1.6197 -0.0348 0.0433 21DOPE H5S 2624 2.387 0.399 5.962 0.3817 -1.0254 -1.1205 21DOPE C26 2625 2.596 0.390 5.906 0.2027 -0.0829 0.2341 21DOPE H6R 2626 2.691 0.446 5.922 -0.2136 0.6017 0.3566 21DOPE H6S 2627 2.569 0.406 5.800 -0.7458 0.4065 0.5350 21DOPE C27 2628 2.615 0.241 5.933 -0.4489 -0.1109 0.5488 21DOPE H7R 2629 2.528 0.176 5.914 -0.6862 0.8601 -2.0808 21DOPE H7S 2630 2.652 0.233 6.038 -0.5290 1.7360 0.7546 21DOPE C28 2631 2.730 0.183 5.850 -0.6145 -0.0719 0.2944 21DOPE H8R 2632 2.762 0.088 5.897 -2.3639 0.7344 3.4003 21DOPE H8S 2633 2.817 0.251 5.863 -0.0180 -1.0387 1.6020 21DOPE C29 2634 2.679 0.153 5.712 -0.3555 0.1424 0.1516 21DOPE H9R 2635 2.615 0.064 5.705 -0.2871 -0.1125 2.2976 21DOPE C210 2636 2.723 0.210 5.599 0.3414 -0.3890 0.1524 21DOPE H10R 2637 2.675 0.176 5.506 -1.8296 -0.8954 1.4045 21DOPE C211 2638 2.811 0.331 5.587 0.1927 -0.2679 0.2924 21DOPE H11R 2639 2.878 0.333 5.675 0.7536 0.8121 -0.1371 21DOPE H11S 2640 2.754 0.427 5.592 2.1471 0.9252 0.9385 21DOPE C212 2641 2.898 0.320 5.461 -0.2823 -0.0664 -0.0575 21DOPE H12R 2642 2.959 0.228 5.461 0.1957 0.1898 -2.3613 21DOPE H12S 2643 2.963 0.409 5.470 -1.2844 0.8368 -1.3201 21DOPE C213 2644 2.819 0.324 5.330 0.0390 -1.0450 -0.2881 21DOPE H13R 2645 2.764 0.420 5.338 0.8100 -0.5062 -1.2755 21DOPE H13S 2646 2.750 0.240 5.307 -1.8623 -0.0505 1.4451 21DOPE C214 2647 2.922 0.335 5.218 0.3166 0.1995 0.0659 21DOPE H14R 2648 2.978 0.239 5.227 2.0024 1.2843 1.7654 21DOPE H14S 2649 2.993 0.418 5.236 0.0566 0.5645 -0.5619 21DOPE C215 2650 2.864 0.359 5.078 -0.1957 -0.2579 0.1949 21DOPE H15R 2651 2.801 0.270 5.054 -0.4649 -0.3500 1.1764 21DOPE H15S 2652 2.949 0.366 5.007 -0.0824 0.6975 0.4159 21DOPE C216 2653 2.786 0.488 5.051 -0.3162 -0.3763 -0.0305 21DOPE H16R 2654 2.825 0.572 5.113 0.2313 0.4423 -1.4541 21DOPE H16S 2655 2.682 0.468 5.083 -0.1851 -2.2169 -0.6131 21DOPE C217 2656 2.775 0.530 4.905 -0.1636 -0.1024 0.0345 21DOPE H17R 2657 2.871 0.569 4.867 -0.0179 -1.4486 -1.0494 21DOPE H17S 2658 2.697 0.609 4.902 0.2227 0.2728 -0.1839 21DOPE C218 2659 2.728 0.433 4.796 0.0978 0.2034 -0.3502 21DOPE H18R 2660 2.625 0.396 4.816 0.0293 1.8730 3.2115 21DOPE H18S 2661 2.805 0.354 4.785 1.5538 1.6827 -1.4677 21DOPE H18T 2662 2.736 0.495 4.704 1.7195 3.0418 1.5240 21DOPE C33 2663 1.935 0.458 5.805 -0.5972 0.1809 0.3741 21DOPE H3X 2664 1.927 0.450 5.694 0.8338 1.6580 0.1432 21DOPE H3Y 2665 1.939 0.353 5.843 -0.7474 0.5921 1.5622 21DOPE C34 2666 2.073 0.521 5.819 -0.3193 -0.1372 -0.8101 21DOPE H4X 2667 2.120 0.493 5.916 -1.9979 0.4757 0.2292 21DOPE H4Y 2668 2.058 0.631 5.813 -0.0830 0.1351 2.1293 21DOPE C35 2669 2.168 0.472 5.709 0.4150 -0.0472 -0.2245 21DOPE H5X 2670 2.258 0.536 5.698 -0.1821 0.6775 -0.9897 21DOPE H5Y 2671 2.119 0.477 5.609 -1.4934 0.2609 0.6804 21DOPE C36 2672 2.211 0.327 5.730 -0.1930 -0.2028 -0.0527 21DOPE H6X 2673 2.257 0.312 5.830 -0.4965 -2.7557 -0.2309 21DOPE H6Y 2674 2.132 0.249 5.735 0.8041 -1.3812 -1.7367 21DOPE C37 2675 2.322 0.274 5.640 -0.1025 -0.4227 0.1863 21DOPE H7X 2676 2.423 0.316 5.659 0.7624 -2.1661 -0.3014 21DOPE H7Y 2677 2.332 0.165 5.657 1.8673 -0.2738 0.2849 21DOPE C38 2678 2.307 0.298 5.490 0.2596 -0.0378 0.2089 21DOPE H8X 2679 2.293 0.407 5.478 1.1617 0.0716 0.0602 21DOPE H8Y 2680 2.216 0.251 5.446 1.3104 -1.8738 -0.1219 21DOPE C39 2681 2.426 0.279 5.399 -0.3610 -0.1950 -0.5835 21DOPE H9X 2682 2.500 0.204 5.432 -0.5108 -0.5126 -0.9582 21DOPE C310 2683 2.450 0.333 5.279 0.0903 -0.0131 -0.4100 21DOPE H10X 2684 2.544 0.322 5.222 0.7828 -0.6203 0.8033 21DOPE C311 2685 2.363 0.424 5.199 -0.2767 0.2556 0.2825 21DOPE H11X 2686 2.260 0.394 5.226 -0.1696 -1.4387 -1.0548 21DOPE H11Y 2687 2.381 0.531 5.223 0.9042 0.3271 -0.7825 21DOPE C312 2688 2.378 0.396 5.049 -0.0032 -0.1281 0.3798 21DOPE H12X 2689 2.344 0.294 5.023 0.5845 -0.8158 2.1862 21DOPE H12Y 2690 2.486 0.406 5.027 -0.1615 1.1565 0.0467 21DOPE C313 2691 2.312 0.500 4.958 -0.0803 -0.2567 0.2888 21DOPE H13X 2692 2.381 0.587 4.949 1.5671 -1.7244 -2.6084 21DOPE H13Y 2693 2.316 0.463 4.854 0.9250 0.3298 0.1065 21DOPE C314 2694 2.166 0.523 5.000 -0.0478 0.0208 0.2563 21DOPE H14X 2695 2.180 0.586 5.090 1.3742 0.3110 -0.1378 21DOPE H14Y 2696 2.122 0.424 5.024 -1.8678 0.7047 -0.1591 21DOPE C315 2697 2.074 0.592 4.900 0.1712 0.3398 0.2734 21DOPE H15X 2698 2.115 0.691 4.869 0.1304 0.6452 1.1457 21DOPE H15Y 2699 2.073 0.541 4.801 -0.6568 -0.6493 0.7706 21DOPE C316 2700 1.943 0.622 4.974 0.0741 -0.1621 0.3085 21DOPE H16X 2701 1.966 0.669 5.072 -0.3861 0.3410 0.1819 21DOPE H16Y 2702 1.877 0.533 4.977 0.6296 -0.5547 1.4435 21DOPE C317 2703 1.860 0.736 4.914 0.5920 0.1293 0.1400 21DOPE H17X 2704 1.787 0.762 4.994 -0.6914 -1.1988 -0.5509 21DOPE H17Y 2705 1.930 0.822 4.904 -1.2492 1.8076 1.1104 21DOPE C318 2706 1.790 0.701 4.783 1.0121 0.1946 -0.1034 21DOPE H18X 2707 1.861 0.656 4.709 0.5511 0.4463 -0.7098 21DOPE H18Y 2708 1.703 0.633 4.795 0.3225 1.0266 -0.3293 21DOPE H18Z 2709 1.758 0.802 4.749 2.5439 1.2232 1.3272 22DOPE N 2710 5.600 5.716 6.659 0.6540 0.0496 0.5532 22DOPE HN1 2711 5.647 5.681 6.745 1.2216 -1.0713 -0.1762 22DOPE HN2 2712 5.567 5.637 6.600 -0.8678 -0.2869 1.7911 22DOPE HN3 2713 5.682 5.769 6.622 1.2027 -1.0903 0.0864 22DOPE C12 2714 5.490 5.814 6.690 0.1611 -0.3388 0.0509 22DOPE H12A 2715 5.532 5.884 6.765 -1.2943 1.8628 -1.0725 22DOPE H12B 2716 5.409 5.758 6.742 -0.5668 1.0099 0.4090 22DOPE C11 2717 5.449 5.901 6.571 0.2911 -0.0746 0.1995 22DOPE H11A 2718 5.363 5.969 6.591 1.1493 0.5158 2.1971 22DOPE H11B 2719 5.428 5.825 6.493 0.4690 -0.4910 0.5501 22DOPE P 2720 5.537 6.066 6.399 0.0613 0.0187 0.0700 22DOPE O13 2721 5.660 6.139 6.362 -0.1749 0.1504 -0.4688 22DOPE O14 2722 5.413 6.148 6.407 -0.2930 -0.4627 -0.3905 22DOPE O11 2723 5.507 5.955 6.287 0.2293 0.0601 -0.0189 22DOPE O12 2724 5.561 5.981 6.532 0.1802 0.0048 0.0389 22DOPE C1 2725 5.596 5.844 6.275 0.1278 -0.0071 -0.1546 22DOPE HA 2726 5.547 5.775 6.202 -0.9642 1.4165 -0.8315 22DOPE HB 2727 5.605 5.791 6.372 1.7929 -0.4029 -0.4899 22DOPE C2 2728 5.731 5.883 6.214 0.2045 0.0004 0.0195 22DOPE HS 2729 5.792 5.940 6.287 -0.1547 1.0101 -0.4444 22DOPE O21 2730 5.720 5.972 6.102 -0.1764 -0.4421 -0.2990 22DOPE C21 2731 5.831 6.029 6.056 -0.0400 -0.0644 0.4789 22DOPE O22 2732 5.944 6.017 6.102 0.4832 1.0489 -0.4505 22DOPE C22 2733 5.787 6.122 5.943 0.2309 -0.1902 0.2672 22DOPE H2R 2734 5.847 6.215 5.939 -0.9579 0.5512 -1.1211 22DOPE H2S 2735 5.686 6.156 5.973 0.6519 0.9672 0.4171 22DOPE C3 2736 5.794 5.753 6.163 -0.2332 -0.2187 0.0355 22DOPE HX 2737 5.776 5.682 6.246 -0.5928 -0.9514 -0.6475 22DOPE HY 2738 5.900 5.771 6.132 -0.6895 -1.1932 -2.3737 22DOPE O31 2739 5.716 5.705 6.053 0.3963 0.2029 -0.6081 22DOPE C31 2740 5.756 5.585 6.012 0.1496 -0.0209 -0.1963 22DOPE O32 2741 5.839 5.515 6.069 0.1786 0.1254 -0.0577 22DOPE C32 2742 5.669 5.537 5.897 -0.6477 -0.0349 0.3972 22DOPE H2X 2743 5.590 5.465 5.927 -1.8853 1.8622 1.9226 22DOPE H2Y 2744 5.611 5.619 5.848 -1.0066 0.1016 1.0431 22DOPE C23 2745 5.803 6.040 5.815 -0.0470 0.4548 -0.1857 22DOPE H3R 2746 5.786 5.932 5.840 -0.0681 0.9676 2.3156 22DOPE H3S 2747 5.910 6.043 5.784 0.4825 -0.2412 1.4548 22DOPE C24 2748 5.721 6.104 5.703 -0.8916 -0.2864 -0.0056 22DOPE H4R 2749 5.758 6.208 5.704 -1.9860 0.1058 0.2895 22DOPE H4S 2750 5.611 6.105 5.711 -0.9700 -1.0150 -0.8203 22DOPE C25 2751 5.741 6.038 5.566 -0.1539 -0.1562 0.0361 22DOPE H5R 2752 5.706 5.933 5.571 0.2224 -0.3548 -1.2132 22DOPE H5S 2753 5.850 6.038 5.545 -0.5809 -0.0344 -2.3886 22DOPE C26 2754 5.665 6.099 5.449 -0.0886 -0.2537 -0.0565 22DOPE H6R 2755 5.708 6.199 5.426 -0.9574 0.5145 1.5307 22DOPE H6S 2756 5.566 6.111 5.496 -0.0700 0.5294 -0.2043 22DOPE C27 2757 5.646 6.010 5.325 -0.0424 0.1516 -0.3553 22DOPE H7R 2758 5.640 5.903 5.352 0.4870 -0.6147 -3.0074 22DOPE H7S 2759 5.736 6.017 5.260 0.4954 -1.6721 0.1414 22DOPE C28 2760 5.523 6.055 5.246 -0.4963 -0.6068 -0.0814 22DOPE H8R 2761 5.516 6.165 5.247 -0.3387 -0.5973 0.0761 22DOPE H8S 2762 5.436 6.025 5.309 -0.0875 -0.7177 0.4336 22DOPE C29 2763 5.511 5.991 5.111 -0.3023 -0.5217 -0.1375 22DOPE H9R 2764 5.481 5.886 5.119 1.5699 -1.1362 -0.5769 22DOPE C210 2765 5.544 6.039 4.990 -0.0890 0.0945 0.1568 22DOPE H10R 2766 5.557 5.979 4.898 -2.2382 0.9852 -0.7876 22DOPE C211 2767 5.595 6.177 4.962 0.1330 0.1009 0.5981 22DOPE H11R 2768 5.704 6.171 4.941 0.0683 0.5989 0.0986 22DOPE H11S 2769 5.574 6.252 5.042 -0.2605 0.1504 0.4509 22DOPE C212 2770 5.516 6.243 4.849 0.4061 0.2346 0.4841 22DOPE H12R 2771 5.429 6.294 4.894 0.6963 1.6618 -0.5313 22DOPE H12S 2772 5.472 6.163 4.785 -0.2473 0.4332 0.6793 22DOPE C213 2773 5.598 6.340 4.764 0.1565 0.2509 0.2601 22DOPE H13R 2774 5.682 6.280 4.723 0.1650 -0.7636 1.6847 22DOPE H13S 2775 5.645 6.420 4.825 -0.3321 0.3841 0.4684 22DOPE C214 2776 5.515 6.390 4.646 0.0961 -0.5228 -0.0287 22DOPE H14R 2777 5.429 6.452 4.679 -0.5491 -1.6647 0.4715 22DOPE H14S 2778 5.483 6.298 4.592 -1.9737 -0.8049 1.6002 22DOPE C215 2779 5.599 6.479 4.553 0.2305 -0.0776 0.5133 22DOPE H15R 2780 5.617 6.570 4.613 -2.1026 1.2340 -0.6149 22DOPE H15S 2781 5.535 6.510 4.468 0.9237 1.1789 0.4273 22DOPE C216 2782 5.722 6.416 4.487 -0.0078 0.1509 -0.1555 22DOPE H16R 2783 5.796 6.392 4.566 0.7896 -3.4173 -1.8328 22DOPE H16S 2784 5.763 6.492 4.417 -1.2188 0.2987 -0.7413 22DOPE C217 2785 5.695 6.286 4.412 0.1427 0.2710 -0.4197 22DOPE H17R 2786 5.602 6.288 4.351 -0.7880 0.4932 0.9569 22DOPE H17S 2787 5.681 6.213 4.495 0.9575 1.6139 0.9585 22DOPE C218 2788 5.817 6.235 4.335 0.2566 0.3936 -0.3198 22DOPE H18R 2789 5.795 6.145 4.274 1.6314 -1.1168 1.3166 22DOPE H18S 2790 5.897 6.216 4.410 -1.5691 2.3219 2.3166 22DOPE H18T 2791 5.851 6.318 4.269 0.9110 0.8111 0.5267 22DOPE C33 2792 5.762 5.463 5.800 -0.4287 0.4153 0.2589 22DOPE H3X 2793 5.808 5.378 5.854 2.0466 1.2067 -0.4628 22DOPE H3Y 2794 5.851 5.523 5.771 -0.8438 1.4957 1.1338 22DOPE C34 2795 5.691 5.401 5.679 -0.0945 0.2391 0.1536 22DOPE H4X 2796 5.668 5.474 5.599 0.3640 -1.1202 -1.2780 22DOPE H4Y 2797 5.589 5.361 5.701 -1.0075 0.6061 -2.9653 22DOPE C35 2798 5.778 5.289 5.622 -0.1300 0.0070 0.5488 22DOPE H5X 2799 5.811 5.215 5.698 -0.4443 1.2639 1.9408 22DOPE H5Y 2800 5.872 5.343 5.597 0.7632 -1.4541 0.5833 22DOPE C36 2801 5.730 5.228 5.490 -0.3041 0.2698 0.4910 22DOPE H6X 2802 5.723 5.309 5.414 -2.2888 0.0719 0.3943 22DOPE H6Y 2803 5.797 5.151 5.448 0.8430 1.7058 -0.4322 22DOPE C37 2804 5.595 5.156 5.500 -0.4092 0.3377 -0.3313 22DOPE H7X 2805 5.619 5.074 5.571 -1.1230 0.5622 0.1815 22DOPE H7Y 2806 5.523 5.231 5.539 0.6563 2.2990 -1.9308 22DOPE C38 2807 5.537 5.101 5.370 0.3138 -0.1512 -0.4516 22DOPE H8X 2808 5.607 5.025 5.329 -0.0172 -0.7063 -0.0043 22DOPE H8Y 2809 5.445 5.050 5.406 1.3339 -0.8937 1.2227 22DOPE C39 2810 5.505 5.211 5.274 0.5860 -0.1602 -0.5559 22DOPE H9X 2811 5.482 5.308 5.323 -0.9039 -1.6192 1.8394 22DOPE C310 2812 5.477 5.195 5.144 1.0350 0.3857 -0.7248 22DOPE H10X 2813 5.447 5.283 5.086 -0.3477 1.1224 1.0008 22DOPE C311 2814 5.495 5.068 5.066 -0.0046 -0.1869 -0.0641 22DOPE H11X 2815 5.430 5.066 4.976 -0.0253 -0.8804 -0.0373 22DOPE H11Y 2816 5.476 4.986 5.138 -3.9114 0.4053 -0.2013 22DOPE C312 2817 5.637 5.058 5.008 0.0053 -0.2821 -0.0245 22DOPE H12X 2818 5.651 4.954 4.972 1.6632 -0.1321 0.1065 22DOPE H12Y 2819 5.700 5.063 5.099 0.6091 -0.0920 -0.4492 22DOPE C313 2820 5.679 5.162 4.904 0.0211 -0.4780 -0.2139 22DOPE H13X 2821 5.669 5.262 4.951 -0.6114 -0.4927 -0.3035 22DOPE H13Y 2822 5.608 5.149 4.819 -1.1733 -0.5473 0.7619 22DOPE C314 2823 5.825 5.157 4.859 0.0128 -0.1568 -0.2776 22DOPE H14X 2824 5.897 5.173 4.942 -1.3096 0.0698 0.8549 22DOPE H14Y 2825 5.858 5.063 4.808 -0.4375 0.1446 -1.1529 22DOPE C315 2826 5.867 5.286 4.787 -0.3740 0.2971 0.3052 22DOPE H15X 2827 5.971 5.269 4.752 -0.4050 2.0042 -0.7157 22DOPE H15Y 2828 5.875 5.379 4.846 -0.9010 0.0260 0.8154 22DOPE C316 2829 5.793 5.304 4.655 -0.1411 0.4053 0.1904 22DOPE H16X 2830 5.839 5.237 4.578 4.6217 0.5191 2.5868 22DOPE H16Y 2831 5.686 5.281 4.670 -0.5298 0.4976 -2.0516 22DOPE C317 2832 5.818 5.443 4.597 -0.0526 0.4511 0.3383 22DOPE H17X 2833 5.926 5.467 4.591 0.0374 0.3541 1.4871 22DOPE H17Y 2834 5.777 5.517 4.669 -0.8954 -0.3651 0.7192 22DOPE C318 2835 5.749 5.479 4.465 -0.4904 -0.7626 0.2285 22DOPE H18X 2836 5.640 5.461 4.454 -0.4758 0.1303 -1.8996 22DOPE H18Y 2837 5.761 5.586 4.441 -2.6469 -0.6201 -0.4100 22DOPE H18Z 2838 5.802 5.412 4.394 1.9097 0.2013 1.0111 23DOPE N 2839 5.789 4.282 6.841 -0.0758 -0.0037 0.3781 23DOPE HN1 2840 5.843 4.339 6.909 -1.0754 -0.2426 1.4027 23DOPE HN2 2841 5.706 4.339 6.816 0.1914 0.6785 1.0042 23DOPE HN3 2842 5.756 4.186 6.866 -1.6737 -0.1176 -1.8687 23DOPE C12 2843 5.862 4.253 6.711 -0.5497 0.0286 0.1025 23DOPE H12A 2844 5.950 4.190 6.732 -1.5762 -1.8443 -0.9653 23DOPE H12B 2845 5.902 4.348 6.671 2.3080 -0.6182 1.1779 23DOPE C11 2846 5.771 4.186 6.608 0.2140 -0.2035 -0.4304 23DOPE H11A 2847 5.741 4.089 6.653 0.5032 -0.9022 -1.7005 23DOPE H11B 2848 5.820 4.178 6.509 0.6437 -0.1154 -0.2226 23DOPE P 2849 5.545 4.211 6.488 -0.3476 -0.0503 -0.0797 23DOPE O13 2850 5.433 4.308 6.490 -0.1696 0.1640 -0.3829 23DOPE O14 2851 5.502 4.069 6.496 -0.3736 -0.0420 -0.0747 23DOPE O11 2852 5.637 4.223 6.358 0.0798 -0.1147 0.2166 23DOPE O12 2853 5.651 4.264 6.595 0.1948 -0.2478 -0.5187 23DOPE C1 2854 5.683 4.353 6.318 -0.7333 0.1822 0.2266 23DOPE HA 2855 5.728 4.409 6.403 2.5245 -2.1832 0.2400 23DOPE HB 2856 5.595 4.406 6.277 -2.7371 -2.0154 1.4274 23DOPE C2 2857 5.783 4.345 6.201 -0.4541 0.0110 0.4738 23DOPE HS 2858 5.797 4.450 6.166 -1.0626 -0.6218 -1.7878 23DOPE O21 2859 5.734 4.262 6.096 0.5169 -0.0990 0.0971 23DOPE C21 2860 5.647 4.324 6.017 0.1907 -0.3057 0.2889 23DOPE O22 2861 5.594 4.434 6.025 0.4823 -0.1232 -0.2277 23DOPE C22 2862 5.629 4.237 5.893 -0.0076 -0.1977 0.2411 23DOPE H2R 2863 5.587 4.139 5.926 -0.9054 0.4575 1.1137 23DOPE H2S 2864 5.732 4.220 5.856 0.0784 0.8485 -0.0098 23DOPE C3 2865 5.908 4.276 6.258 0.0088 0.4699 0.0254 23DOPE HX 2866 5.885 4.170 6.285 -2.2750 0.9295 0.1339 23DOPE HY 2867 5.936 4.336 6.347 0.1547 1.2219 -0.5125 23DOPE O31 2868 6.023 4.261 6.175 -0.3706 0.3480 -0.4865 23DOPE C31 2869 6.097 4.372 6.164 -0.0087 0.1310 -0.2536 23DOPE O32 2870 6.063 4.480 6.207 -0.0809 -0.0953 0.2687 23DOPE C32 2871 6.227 4.340 6.090 -0.0130 -0.1053 -0.1624 23DOPE H2X 2872 6.256 4.235 6.111 0.2188 -0.2760 -1.2842 23DOPE H2Y 2873 6.305 4.406 6.135 0.4881 -0.8034 0.0002 23DOPE C23 2874 5.543 4.310 5.790 -0.0591 -0.3655 0.1647 23DOPE H3R 2875 5.582 4.414 5.784 -0.9759 0.0911 1.7181 23DOPE H3S 2876 5.436 4.314 5.818 -0.5057 -0.6490 -1.3811 23DOPE C24 2877 5.554 4.263 5.644 0.0377 -0.0152 0.0578 23DOPE H4R 2878 5.577 4.154 5.642 -0.0758 -0.0904 1.4895 23DOPE H4S 2879 5.637 4.318 5.596 0.7296 1.2788 2.5260 23DOPE C25 2880 5.428 4.288 5.561 0.0258 -0.6554 -0.1190 23DOPE H5R 2881 5.403 4.396 5.566 -2.2779 -1.0889 -1.1714 23DOPE H5S 2882 5.334 4.241 5.597 -2.2914 2.3790 -1.7371 23DOPE C26 2883 5.455 4.257 5.414 -0.0192 -0.7179 -0.1140 23DOPE H6R 2884 5.503 4.157 5.400 0.8272 -0.3911 0.4410 23DOPE H6S 2885 5.515 4.333 5.359 -0.7757 -0.6579 -0.8808 23DOPE C27 2886 5.318 4.245 5.346 -0.1980 0.4517 0.0194 23DOPE H7R 2887 5.263 4.335 5.379 -0.7354 -0.0151 0.4161 23DOPE H7S 2888 5.273 4.151 5.385 1.2222 -0.7491 -1.0591 23DOPE C28 2889 5.332 4.234 5.194 0.1412 -0.2775 0.0954 23DOPE H8R 2890 5.414 4.303 5.161 0.7157 -1.0095 -0.0368 23DOPE H8S 2891 5.233 4.271 5.161 0.5456 1.3630 0.6388 23DOPE C29 2892 5.361 4.096 5.143 0.1723 -0.2187 -0.0473 23DOPE H9R 2893 5.367 4.020 5.222 -1.0694 0.0880 0.3572 23DOPE C210 2894 5.377 4.066 5.013 0.0022 0.1039 -0.1422 23DOPE H10R 2895 5.410 3.965 4.986 2.6110 0.7957 0.1209 23DOPE C211 2896 5.379 4.152 4.890 0.3313 0.1633 -0.0970 23DOPE H11R 2897 5.478 4.167 4.843 1.6627 -2.4162 1.6711 23DOPE H11S 2898 5.341 4.255 4.910 1.5359 0.2194 2.2029 23DOPE C212 2899 5.290 4.082 4.786 0.0112 0.0332 0.2606 23DOPE H12R 2900 5.187 4.100 4.822 0.8028 -0.1780 2.8650 23DOPE H12S 2901 5.311 3.975 4.768 -1.2707 0.0196 -1.4080 23DOPE C213 2902 5.300 4.145 4.647 0.0684 -0.1877 0.1646 23DOPE H13R 2903 5.404 4.152 4.610 -1.0893 1.1245 -3.2858 23DOPE H13S 2904 5.268 4.252 4.652 0.6427 -0.0555 1.3322 23DOPE C214 2905 5.205 4.083 4.544 -0.0028 -0.0327 0.1362 23DOPE H14R 2906 5.101 4.097 4.581 -0.3160 -0.6412 -0.4935 23DOPE H14S 2907 5.228 3.975 4.532 -0.9522 -0.0253 -2.4441 23DOPE C215 2908 5.219 4.146 4.405 0.2466 -0.2281 0.0724 23DOPE H15R 2909 5.323 4.136 4.366 1.3820 2.4241 2.0240 23DOPE H15S 2910 5.195 4.254 4.419 -0.4659 -0.3745 -0.0116 23DOPE C216 2911 5.117 4.092 4.306 0.4228 -0.3620 -0.0375 23DOPE H16R 2912 5.014 4.096 4.348 0.5983 -1.8610 0.5870 23DOPE H16S 2913 5.148 3.987 4.288 1.9033 0.1817 -0.8404 23DOPE C217 2914 5.123 4.157 4.167 0.0418 -0.0348 0.0966 23DOPE H17R 2915 5.221 4.154 4.115 0.2967 1.1263 0.4686 23DOPE H17S 2916 5.097 4.263 4.188 -2.5173 -0.6409 0.3292 23DOPE C218 2917 5.016 4.106 4.071 -0.2314 -0.2539 0.5133 23DOPE H18R 2918 4.918 4.111 4.122 0.2872 1.4980 1.4132 23DOPE H18S 2919 5.025 3.998 4.046 2.2429 0.3293 -1.4924 23DOPE H18T 2920 5.024 4.167 3.979 -0.5293 -2.1841 -0.8508 23DOPE C33 2921 6.196 4.367 5.943 0.8662 -0.4130 -0.4069 23DOPE H3X 2922 6.292 4.393 5.895 0.0979 1.4652 -1.0015 23DOPE H3Y 2923 6.133 4.458 5.934 3.3286 1.3365 -0.7359 23DOPE C34 2924 6.135 4.246 5.870 0.2345 -0.1875 -0.2626 23DOPE H4X 2925 6.211 4.166 5.876 -0.4759 -0.7482 1.9272 23DOPE H4Y 2926 6.037 4.214 5.911 0.2333 0.3359 0.1659 23DOPE C35 2927 6.097 4.288 5.727 -0.2507 0.1268 -0.0424 23DOPE H5X 2928 6.188 4.316 5.670 0.9412 -0.4839 1.4826 23DOPE H5Y 2929 6.031 4.377 5.722 0.5318 0.6558 -1.4983 23DOPE C36 2930 6.022 4.180 5.649 0.1130 0.0036 -0.2225 23DOPE H6X 2931 5.950 4.139 5.722 0.6664 -0.4475 0.0833 23DOPE H6Y 2932 6.089 4.096 5.619 -0.6870 -0.8606 0.3304 23DOPE C37 2933 5.940 4.219 5.526 -0.0023 0.0428 -0.1336 23DOPE H7X 2934 5.846 4.266 5.561 1.4397 1.1252 2.6088 23DOPE H7Y 2935 5.994 4.291 5.460 0.6111 -0.2941 -0.0089 23DOPE C38 2936 5.901 4.100 5.438 0.6321 0.3567 -0.8504 23DOPE H8X 2937 5.995 4.050 5.410 0.2524 -1.0180 0.2354 23DOPE H8Y 2938 5.838 4.031 5.499 -1.8949 2.3308 -1.0250 23DOPE C39 2939 5.817 4.165 5.331 -0.2450 0.2793 -0.2246 23DOPE H9X 2940 5.726 4.220 5.361 -0.1954 0.3772 -0.2510 23DOPE C310 2941 5.846 4.161 5.200 -0.1517 0.3250 -0.2058 23DOPE H10X 2942 5.778 4.217 5.135 -0.0606 0.2163 -0.3953 23DOPE C311 2943 5.958 4.087 5.132 -0.6330 -0.2826 -0.3415 23DOPE H11X 2944 6.009 4.015 5.200 0.1490 0.5363 -0.0433 23DOPE H11Y 2945 5.911 4.036 5.045 -1.9164 -0.6459 0.5287 23DOPE C312 2946 6.056 4.183 5.065 -0.4136 -0.3541 -0.1269 23DOPE H12X 2947 6.107 4.244 5.143 -1.8756 1.4321 -0.5073 23DOPE H12Y 2948 5.998 4.260 5.011 -2.5487 -2.0010 -0.3191 23DOPE C313 2949 6.168 4.130 4.975 0.0541 0.3180 0.0538 23DOPE H13X 2950 6.133 4.077 4.884 0.6066 0.0599 -0.0129 23DOPE H13Y 2951 6.221 4.217 4.930 -1.6399 1.6166 0.4348 23DOPE C314 2952 6.273 4.045 5.047 -0.0749 -0.0151 -0.1501 23DOPE H14X 2953 6.229 3.961 5.106 -0.4332 -0.5844 -1.2098 23DOPE H14Y 2954 6.330 4.107 5.120 0.5740 -1.4442 0.5936 23DOPE C315 2955 6.366 3.978 4.946 -0.3207 -0.3939 -0.1288 23DOPE H15X 2956 6.387 4.052 4.866 -1.0975 0.5839 0.5456 23DOPE H15Y 2957 6.314 3.890 4.904 0.5240 -0.7837 -0.3770 23DOPE C316 2958 6.501 3.943 5.010 -0.4365 -0.2454 0.1992 23DOPE H16X 2959 6.552 4.040 5.025 -1.1144 0.1176 0.1678 23DOPE H16Y 2960 6.490 3.887 5.106 -0.0762 -2.4443 -0.9841 23DOPE C317 2961 6.594 3.853 4.928 0.0794 -0.1601 0.6845 23DOPE H17X 2962 6.533 3.765 4.899 -1.5327 1.3074 -0.5803 23DOPE H17Y 2963 6.678 3.823 4.994 1.0880 0.9212 -0.0653 23DOPE C318 2964 6.647 3.923 4.803 -0.3906 -0.5566 0.2603 23DOPE H18X 2965 6.707 4.012 4.831 0.0361 -0.4699 -0.8767 23DOPE H18Y 2966 6.707 3.846 4.751 0.3601 0.3835 -0.2914 23DOPE H18Z 2967 6.564 3.956 4.736 -0.7502 -0.2307 0.8558 24DOPE N 2968 0.332 2.511 6.761 0.0308 -0.5255 -0.7386 24DOPE HN1 2969 0.246 2.468 6.801 1.2583 -1.7678 0.7469 24DOPE HN2 2970 0.411 2.460 6.806 0.1378 -0.5792 -0.9849 24DOPE HN3 2971 0.335 2.609 6.795 -0.2959 -1.0821 1.0211 24DOPE C12 2972 0.347 2.495 6.612 0.1496 0.5343 -0.8438 24DOPE H12A 2973 0.379 2.393 6.581 1.3074 0.5890 0.1117 24DOPE H12B 2974 0.435 2.559 6.590 0.5282 1.2837 2.4343 24DOPE C11 2975 0.217 2.515 6.533 -0.3461 -0.2136 -0.2228 24DOPE H11A 2976 0.141 2.450 6.581 -1.0276 1.7368 1.4572 24DOPE H11B 2977 0.220 2.488 6.426 0.8306 1.5207 -0.6644 24DOPE P 2978 0.058 2.679 6.437 0.4183 0.0719 -0.2360 24DOPE O13 2979 -0.001 2.546 6.409 0.6058 -0.0879 0.1103 24DOPE O14 2980 -0.024 2.784 6.500 0.1785 -0.1002 -0.2566 24DOPE O11 2981 0.127 2.736 6.304 0.3570 -0.2943 -0.4265 24DOPE O12 2982 0.170 2.649 6.547 -0.0619 -0.1556 0.1935 24DOPE C1 2983 0.254 2.798 6.321 0.0822 0.1260 0.1581 24DOPE HA 2984 0.314 2.785 6.228 1.3137 1.4472 0.7297 24DOPE HB 2985 0.313 2.755 6.405 -0.4573 1.9510 1.5116 24DOPE C2 2986 0.237 2.948 6.346 0.3875 0.1017 0.5203 24DOPE HS 2987 0.193 2.967 6.446 -2.4804 -0.2050 -0.5791 24DOPE O21 2988 0.147 2.993 6.244 0.1483 -0.1520 0.6198 24DOPE C21 2989 0.106 3.119 6.250 -0.2578 -0.2730 0.3759 24DOPE O22 2990 0.124 3.190 6.348 -0.1453 0.4060 -0.1257 24DOPE C22 2991 0.041 3.171 6.122 0.1166 -0.7220 0.0019 24DOPE H2R 2992 -0.038 3.242 6.154 1.8681 0.3047 2.2864 24DOPE H2S 2993 -0.010 3.089 6.067 1.5364 -0.3303 -2.0169 24DOPE C3 2994 0.374 3.017 6.338 0.4045 0.0033 -0.0901 24DOPE HX 2995 0.432 2.971 6.421 -1.3665 2.5158 2.7577 24DOPE HY 2996 0.365 3.122 6.374 -2.3061 -1.0823 2.8108 24DOPE O31 2997 0.439 3.018 6.210 0.0776 0.0790 -0.2558 24DOPE C31 2998 0.565 3.062 6.213 0.1692 -0.2007 0.2572 24DOPE O32 2999 0.611 3.122 6.309 0.3601 0.3081 -0.1471 24DOPE C32 3000 0.640 3.042 6.082 -0.1933 -0.1268 0.0336 24DOPE H2X 3001 0.653 2.934 6.061 2.1387 0.4148 -1.6672 24DOPE H2Y 3002 0.574 3.080 6.002 0.1118 -1.4323 -0.8641 24DOPE C23 3003 0.143 3.233 6.026 -0.0925 -0.1266 0.1603 24DOPE H3R 3004 0.235 3.171 6.024 0.3956 0.5776 -1.7211 24DOPE H3S 3005 0.166 3.331 6.073 0.4042 -0.5727 0.8630 24DOPE C24 3006 0.087 3.247 5.884 -0.4239 -0.2035 0.2842 24DOPE H4R 3007 0.038 3.150 5.863 -0.6223 0.2932 -1.7016 24DOPE H4S 3008 0.173 3.266 5.817 -0.1968 -0.9018 0.3679 24DOPE C25 3009 -0.004 3.368 5.863 0.0215 0.0659 -0.1276 24DOPE H5R 3010 0.061 3.455 5.889 0.9464 -0.5951 -0.1910 24DOPE H5S 3011 -0.089 3.357 5.934 -0.7151 -0.9881 -1.1509 24DOPE C26 3012 -0.056 3.384 5.720 -0.2848 -0.2283 -0.0507 24DOPE H6R 3013 -0.121 3.302 5.683 0.1219 -1.3850 1.6960 24DOPE H6S 3014 0.037 3.383 5.661 0.8303 -2.5960 1.6029 24DOPE C27 3015 -0.132 3.516 5.702 -0.0157 -0.0133 0.3751 24DOPE H7R 3016 -0.070 3.597 5.748 -0.0930 1.3016 -1.7163 24DOPE H7S 3017 -0.234 3.520 5.747 -0.2597 2.4650 -0.2258 24DOPE C28 3018 -0.142 3.544 5.552 0.2126 -0.1062 0.3424 24DOPE H8R 3019 -0.052 3.497 5.506 0.4549 -0.0456 0.7514 24DOPE H8S 3020 -0.130 3.653 5.535 0.7259 0.1201 1.9980 24DOPE C29 3021 -0.267 3.482 5.497 0.0071 0.2874 0.3603 24DOPE H9R 3022 -0.355 3.497 5.561 0.6928 0.1517 1.3644 24DOPE C210 3023 -0.272 3.398 5.392 0.4189 0.7218 -0.0088 24DOPE H10R 3024 -0.364 3.339 5.379 -0.6324 2.5294 -1.2378 24DOPE C211 3025 -0.157 3.375 5.298 0.9586 0.4631 0.7031 24DOPE H11R 3026 -0.076 3.448 5.318 1.8370 -0.9883 2.7582 24DOPE H11S 3027 -0.191 3.394 5.194 0.6988 1.3028 0.9308 24DOPE C212 3028 -0.114 3.228 5.304 0.0447 0.1570 0.0766 24DOPE H12R 3029 -0.191 3.159 5.265 1.4581 -0.7415 -1.2334 24DOPE H12S 3030 -0.098 3.208 5.412 -0.4244 -1.4293 -0.1213 24DOPE C213 3031 0.016 3.206 5.226 -0.0385 0.0905 -0.0459 24DOPE H13R 3032 0.090 3.286 5.244 -2.0013 1.7324 1.1067 24DOPE H13S 3033 -0.016 3.212 5.119 0.4959 -3.5822 -0.5416 24DOPE C214 3034 0.074 3.066 5.250 0.2185 0.0875 -0.6575 24DOPE H14R 3035 -0.005 2.990 5.239 0.1968 0.2498 -1.7682 24DOPE H14S 3036 0.100 3.064 5.358 1.0756 -0.2356 -0.8646 24DOPE C215 3037 0.198 3.034 5.166 0.5554 0.3500 -0.2698 24DOPE H15R 3038 0.259 3.127 5.165 -0.3678 1.0113 1.1840 24DOPE H15S 3039 0.164 3.013 5.062 -0.5049 -1.3614 0.3708 24DOPE C216 3040 0.280 2.920 5.227 0.3813 0.5689 0.3786 24DOPE H16R 3041 0.224 2.825 5.217 1.7257 -0.0440 -2.1903 24DOPE H16S 3042 0.315 2.932 5.332 1.0002 1.0370 0.1275 24DOPE C217 3043 0.399 2.893 5.135 0.1728 0.0015 0.2719 24DOPE H17R 3044 0.355 2.895 5.033 -2.6267 -1.5063 1.3453 24DOPE H17S 3045 0.432 2.789 5.153 -2.7461 -1.4402 -1.8088 24DOPE C218 3046 0.509 3.000 5.137 -0.1646 0.3527 0.2073 24DOPE H18R 3047 0.593 2.972 5.069 -0.1472 -0.4144 0.5350 24DOPE H18S 3048 0.532 3.008 5.245 -2.5497 0.4053 0.7726 24DOPE H18T 3049 0.470 3.100 5.107 -2.2542 -0.1576 1.0626 24DOPE C33 3050 0.767 3.127 6.075 -0.5513 0.4264 0.1511 24DOPE H3X 3051 0.834 3.115 6.162 -1.6121 -1.1514 0.7930 24DOPE H3Y 3052 0.750 3.237 6.072 1.7007 0.8789 1.5436 24DOPE C34 3053 0.861 3.098 5.957 -0.8970 -0.0590 -0.0088 24DOPE H4X 3054 0.956 3.155 5.969 -1.8756 1.9944 -1.3124 24DOPE H4Y 3055 0.886 2.990 5.958 2.6260 0.5957 2.1530 24DOPE C35 3056 0.797 3.149 5.828 0.2689 0.5995 -0.3414 24DOPE H5X 3057 0.767 3.252 5.856 0.8519 1.1233 -1.5568 24DOPE H5Y 3058 0.704 3.091 5.810 1.8078 -1.2682 -3.0287 24DOPE C36 3059 0.883 3.146 5.701 0.1091 0.2612 -0.4425 24DOPE H6X 3060 0.953 3.232 5.707 -0.6044 0.7479 1.7538 24DOPE H6Y 3061 0.935 3.051 5.675 -0.7785 -0.1163 -0.8700 24DOPE C37 3062 0.809 3.189 5.575 -0.3537 -0.3430 -0.3817 24DOPE H7X 3063 0.715 3.134 5.556 -0.9817 0.9124 -1.0406 24DOPE H7Y 3064 0.777 3.295 5.583 -1.2783 -0.6284 -0.2189 24DOPE C38 3065 0.897 3.178 5.450 0.1533 0.2570 -0.0836 24DOPE H8X 3066 0.977 3.255 5.455 -0.3472 0.7576 0.2958 24DOPE H8Y 3067 0.943 3.078 5.465 1.0383 0.5524 -0.7273 24DOPE C39 3068 0.814 3.186 5.325 0.0464 -0.3565 -0.0534 24DOPE H9X 3069 0.718 3.240 5.322 1.0338 1.3963 -1.1514 24DOPE C310 3070 0.846 3.128 5.208 0.7456 -0.0777 -0.0036 24DOPE H10X 3071 0.777 3.156 5.127 1.0862 2.5996 0.5346 24DOPE C311 3072 0.970 3.046 5.185 0.2905 -0.8243 0.1815 24DOPE H11X 3073 1.049 3.083 5.253 1.1174 -1.7875 -0.2384 24DOPE H11Y 3074 0.948 2.945 5.227 -0.0567 -0.0581 1.9262 24DOPE C312 3075 1.025 3.040 5.043 0.2252 0.8476 0.0717 24DOPE H12X 3076 1.067 3.136 5.006 2.8894 -0.5549 -0.8487 24DOPE H12Y 3077 0.929 3.032 4.987 -1.7083 1.4789 3.0915 24DOPE C313 3078 1.130 2.930 5.028 -0.4685 0.1390 0.3528 24DOPE H13X 3079 1.207 2.975 5.095 0.4330 -0.1690 -0.4579 24DOPE H13Y 3080 1.101 2.835 5.078 -0.1159 0.0966 0.4797 24DOPE C314 3081 1.176 2.918 4.883 0.1187 0.2374 0.5275 24DOPE H14X 3082 1.234 3.004 4.845 1.4728 -1.6426 -1.9584 24DOPE H14Y 3083 1.238 2.825 4.882 -0.0520 0.1226 0.5093 24DOPE C315 3084 1.056 2.892 4.791 0.2463 -0.5167 0.5631 24DOPE H15X 3085 0.976 2.846 4.853 -1.0180 3.0669 1.8644 24DOPE H15Y 3086 1.027 2.994 4.758 -0.7034 0.0104 2.8013 24DOPE C316 3087 1.099 2.802 4.675 -0.1634 -0.0476 0.0409 24DOPE H16X 3088 1.195 2.848 4.644 0.1028 -0.4164 0.3124 24DOPE H16Y 3089 1.126 2.701 4.714 -0.9598 0.3315 1.6890 24DOPE C317 3090 0.998 2.798 4.561 0.2198 0.4390 -0.3179 24DOPE H17X 3091 0.899 2.790 4.612 0.3464 0.8147 -0.0101 24DOPE H17Y 3092 0.985 2.892 4.503 -0.8556 -0.3631 -1.4558 24DOPE C318 3093 1.026 2.684 4.463 0.7436 0.3963 -0.1165 24DOPE H18X 3094 0.948 2.666 4.386 -0.5457 -2.9951 1.7994 24DOPE H18Y 3095 1.120 2.702 4.406 -1.0110 1.0984 -2.9743 24DOPE H18Z 3096 1.028 2.585 4.513 0.4975 0.4457 -0.0110 25DOPE N 3097 3.010 3.446 6.705 -0.2715 0.4834 -0.2121 25DOPE HN1 3098 3.088 3.437 6.773 -0.6452 -3.2516 -0.0621 25DOPE HN2 3099 2.951 3.523 6.742 0.1329 0.1800 1.1273 25DOPE HN3 3100 2.966 3.352 6.702 -0.2384 0.3821 1.6365 25DOPE C12 3101 3.059 3.479 6.566 -0.5739 -0.4045 -0.5344 25DOPE H12A 3102 2.975 3.511 6.500 2.1481 2.4756 -2.9220 25DOPE H12B 3103 3.120 3.394 6.527 0.7370 0.3952 -0.2928 25DOPE C11 3104 3.162 3.592 6.566 -0.5715 -0.4056 -0.1332 25DOPE H11A 3105 3.117 3.687 6.602 0.4213 0.5644 -1.3556 25DOPE H11B 3106 3.191 3.617 6.462 -2.1920 0.7616 -0.3477 25DOPE P 3107 3.397 3.656 6.656 -0.0879 -0.2942 -0.3256 25DOPE O13 3108 3.517 3.577 6.690 0.3150 0.2164 -0.5405 25DOPE O14 3109 3.367 3.770 6.745 -0.5486 -0.5116 -0.2002 25DOPE O11 3110 3.403 3.710 6.505 0.0899 0.2232 -0.1353 25DOPE O12 3111 3.272 3.556 6.649 -0.5596 0.2606 0.1423 25DOPE C1 3112 3.464 3.837 6.482 0.4174 -0.0172 -0.5949 25DOPE HA 3113 3.510 3.826 6.381 -2.0565 -3.4608 -1.5290 25DOPE HB 3114 3.533 3.867 6.563 -0.1493 0.5804 -0.3273 25DOPE C2 3115 3.356 3.946 6.480 0.1815 -0.2368 0.0156 25DOPE HS 3116 3.343 3.973 6.587 0.4263 1.5763 -0.3724 25DOPE O21 3117 3.238 3.884 6.429 -0.3085 0.2156 0.5818 25DOPE C21 3118 3.123 3.941 6.466 -0.7889 -0.4030 0.0672 25DOPE O22 3119 3.108 4.028 6.550 0.0700 -0.0424 -0.1351 25DOPE C22 3120 3.017 3.875 6.380 -0.3951 -0.4502 -0.3860 25DOPE H2R 3121 2.971 3.800 6.447 -0.4307 -1.2715 -1.3038 25DOPE H2S 3122 3.068 3.832 6.291 0.7469 -0.0482 0.0576 25DOPE C3 3123 3.395 4.074 6.404 -0.3963 0.0171 0.1474 25DOPE HX 3124 3.497 4.097 6.440 -0.3588 -1.1366 0.8281 25DOPE HY 3125 3.331 4.157 6.441 0.1990 0.3165 0.5258 25DOPE O31 3126 3.404 4.058 6.263 0.1730 -0.2961 0.2182 25DOPE C31 3127 3.291 4.089 6.199 0.3375 0.1821 0.1594 25DOPE O32 3128 3.186 4.128 6.246 -0.1063 -0.0970 -0.5808 25DOPE C32 3129 3.297 4.075 6.047 0.0011 -0.7285 0.2252 25DOPE H2X 3130 3.299 4.174 5.997 -2.1246 -1.1158 -0.7243 25DOPE H2Y 3131 3.388 4.017 6.021 -1.2996 -2.3820 -0.8363 25DOPE C23 3132 2.909 3.977 6.342 -0.0171 -0.0204 -0.3107 25DOPE H3R 3133 2.959 4.069 6.305 -0.4318 0.7963 1.0993 25DOPE H3S 3134 2.859 4.009 6.436 -0.9656 1.5613 -1.3231 25DOPE C24 3135 2.810 3.932 6.235 0.0419 -0.1170 -0.3254 25DOPE H4R 3136 2.748 3.855 6.285 0.2300 -0.6561 -0.9034 25DOPE H4S 3137 2.859 3.887 6.145 -1.2727 -1.2062 -0.5161 25DOPE C25 3138 2.728 4.051 6.186 0.5487 0.5287 0.3639 25DOPE H5R 3139 2.798 4.131 6.154 2.2852 -0.4434 1.6326 25DOPE H5S 3140 2.666 4.080 6.273 -2.4363 -0.4093 -1.2770 25DOPE C26 3141 2.629 4.019 6.073 0.8842 0.6155 0.0423 25DOPE H6R 3142 2.544 3.959 6.112 2.0076 -2.0563 -1.3069 25DOPE H6S 3143 2.691 3.955 6.006 1.0967 0.7086 0.1521 25DOPE C27 3144 2.578 4.139 5.994 0.5766 0.5825 0.1888 25DOPE H7R 3145 2.669 4.200 5.974 0.4710 0.1591 -1.7391 25DOPE H7S 3146 2.510 4.201 6.057 0.3211 -1.1526 1.6805 25DOPE C28 3147 2.524 4.101 5.857 -0.0465 -0.2783 0.6669 25DOPE H8R 3148 2.418 4.067 5.862 0.1504 -1.6173 -2.0203 25DOPE H8S 3149 2.587 4.020 5.815 0.7050 1.0708 -0.9310 25DOPE C29 3150 2.528 4.226 5.773 -0.1648 -0.8004 -0.1328 25DOPE H9R 3151 2.558 4.320 5.822 -0.5128 -0.8346 0.1531 25DOPE C210 3152 2.512 4.237 5.641 0.0776 0.0366 -0.0944 25DOPE H10R 3153 2.503 4.334 5.589 0.0493 -0.0556 -0.2605 25DOPE C211 3154 2.491 4.124 5.545 -0.2755 0.1197 -0.1155 25DOPE H11R 3155 2.407 4.139 5.473 -1.6760 1.7817 1.7449 25DOPE H11S 3156 2.489 4.023 5.592 0.9954 0.9846 1.9215 25DOPE C212 3157 2.608 4.104 5.448 -0.3207 0.2770 -0.2018 25DOPE H12R 3158 2.699 4.105 5.511 -0.2154 1.4130 -0.3498 25DOPE H12S 3159 2.609 4.195 5.384 0.6968 0.5670 0.1990 25DOPE C213 3160 2.613 3.983 5.354 -0.3926 -0.4465 0.7149 25DOPE H13R 3161 2.617 3.892 5.418 -0.4290 -0.0020 1.3622 25DOPE H13S 3162 2.708 3.984 5.297 0.5123 -2.8661 2.0489 25DOPE C214 3163 2.491 3.967 5.264 -0.1874 -0.5024 0.4450 25DOPE H14R 3164 2.489 4.059 5.202 2.2880 -0.3744 0.4896 25DOPE H14S 3165 2.395 3.958 5.320 -0.4074 0.5548 0.2634 25DOPE C215 3166 2.518 3.849 5.171 -0.1577 -0.2128 0.0845 25DOPE H15R 3167 2.619 3.876 5.132 -1.1704 5.2732 0.4931 25DOPE H15S 3168 2.450 3.844 5.083 -1.3961 -0.9924 1.0471 25DOPE C216 3169 2.523 3.711 5.238 0.1209 -0.1692 0.1561 25DOPE H16R 3170 2.582 3.689 5.329 0.0059 -1.1794 -0.0022 25DOPE H16S 3171 2.567 3.646 5.159 -0.2095 -0.5611 0.2937 25DOPE C217 3172 2.386 3.650 5.267 0.0410 -0.2723 -0.4142 25DOPE H17R 3173 2.384 3.540 5.254 -0.2288 -0.0213 -2.9953 25DOPE H17S 3174 2.321 3.699 5.191 1.1044 0.5863 -0.7955 25DOPE C218 3175 2.327 3.673 5.407 0.0384 -0.5308 -0.3725 25DOPE H18R 3176 2.234 3.614 5.420 -0.0002 -0.5007 -0.5081 25DOPE H18S 3177 2.309 3.780 5.427 0.7145 -0.0385 -2.1755 25DOPE H18T 3178 2.405 3.642 5.479 0.5642 2.2745 0.3457 25DOPE C33 3179 3.168 4.005 6.002 -0.3386 0.2385 -0.3357 25DOPE H3X 3180 3.087 4.080 6.013 -0.8503 -0.2996 -0.4533 25DOPE H3Y 3181 3.149 3.920 6.071 0.6170 0.8369 0.7140 25DOPE C34 3182 3.177 3.961 5.856 -0.2271 0.3034 -0.3490 25DOPE H4X 3183 3.213 4.043 5.790 -0.5790 -0.5051 -1.5712 25DOPE H4Y 3184 3.260 3.890 5.836 -0.3055 0.6180 -1.9237 25DOPE C35 3185 3.040 3.914 5.807 -0.2752 0.1985 -0.1168 25DOPE H5X 3186 2.970 3.996 5.836 -0.8303 -0.6023 0.8693 25DOPE H5Y 3187 3.005 3.826 5.863 -2.0531 -0.1594 -1.6861 25DOPE C36 3188 3.029 3.906 5.654 -0.3362 -0.0280 -0.1007 25DOPE H6X 3189 3.061 4.002 5.607 0.0461 -1.0989 -2.0993 25DOPE H6Y 3190 3.092 3.821 5.622 -1.1216 -0.5979 -0.1445 25DOPE C37 3191 2.887 3.876 5.608 -0.2637 -0.4232 -0.0631 25DOPE H7X 3192 2.828 3.970 5.615 -0.2337 -0.4807 1.1437 25DOPE H7Y 3193 2.891 3.850 5.500 0.1556 -1.4167 0.1727 25DOPE C38 3194 2.820 3.764 5.688 -0.6976 -0.2542 -0.1881 25DOPE H8X 3195 2.887 3.676 5.699 -1.5677 -0.7909 1.1157 25DOPE H8Y 3196 2.804 3.816 5.784 -1.4681 0.3110 -0.6112 25DOPE C39 3197 2.690 3.717 5.628 -0.8200 -0.3600 0.1610 25DOPE H9X 3198 2.610 3.793 5.636 1.5750 2.2030 1.8191 25DOPE C310 3199 2.662 3.595 5.579 -0.6026 -0.2459 -0.2516 25DOPE H10X 3200 2.557 3.582 5.550 -0.0420 -0.0539 -2.5413 25DOPE C311 3201 2.758 3.483 5.552 0.1264 0.2682 0.1433 25DOPE H11X 3202 2.727 3.445 5.452 -0.8176 1.0988 0.0991 25DOPE H11Y 3203 2.860 3.526 5.548 -0.1550 0.8841 -2.0068 25DOPE C312 3204 2.754 3.366 5.651 0.0841 -0.2690 -0.4836 25DOPE H12X 3205 2.653 3.320 5.661 -0.0398 0.1315 0.1812 25DOPE H12Y 3206 2.812 3.281 5.611 0.0087 -0.0363 -1.0981 25DOPE C313 3207 2.794 3.408 5.792 -0.2721 0.2814 -0.5406 25DOPE H13X 3208 2.741 3.496 5.835 0.7159 0.1722 1.0307 25DOPE H13Y 3209 2.762 3.329 5.863 -1.8517 1.9032 0.6563 25DOPE C314 3210 2.946 3.424 5.803 -0.2774 -0.0270 0.0364 25DOPE H14X 3211 2.992 3.325 5.782 -1.3855 -0.4995 -0.1951 25DOPE H14Y 3212 2.984 3.494 5.726 -1.6877 1.3886 0.5736 25DOPE C315 3213 3.003 3.471 5.937 0.0016 -0.5213 0.0945 25DOPE H15X 3214 2.964 3.572 5.964 0.7270 -0.6209 1.6234 25DOPE H15Y 3215 3.111 3.489 5.920 0.1411 -1.7999 -0.4252 25DOPE C316 3216 2.967 3.383 6.057 -1.1411 0.3509 0.4124 25DOPE H16X 3217 2.984 3.276 6.033 0.4626 0.4506 1.0115 25DOPE H16Y 3218 2.858 3.396 6.075 -1.6106 0.2071 -1.9015 25DOPE C317 3219 3.043 3.436 6.178 -0.9541 -0.0898 0.4887 25DOPE H17X 3220 3.027 3.367 6.264 1.3989 -0.8912 0.3518 25DOPE H17Y 3221 3.151 3.419 6.162 -1.1093 -0.8575 0.2064 25DOPE C318 3222 3.006 3.578 6.220 -1.1678 -0.0223 0.0721 25DOPE H18X 3223 2.897 3.599 6.218 -0.8202 2.1238 1.1994 25DOPE H18Y 3224 3.033 3.605 6.324 -0.6985 1.7643 -0.4797 25DOPE H18Z 3225 3.066 3.656 6.168 0.3260 -1.1071 0.1078 26DOPE N 3226 0.972 1.782 7.038 -0.0802 0.0591 0.2314 26DOPE HN1 3227 0.973 1.751 7.137 1.7434 -0.0913 0.1972 26DOPE HN2 3228 1.006 1.881 7.037 0.3452 -0.0852 -0.8443 26DOPE HN3 3229 0.875 1.784 7.000 -0.5274 -1.0106 1.2550 26DOPE C12 3230 1.036 1.688 6.939 -0.0127 0.3892 -0.0424 26DOPE H12A 3231 0.993 1.588 6.963 -2.1044 0.9797 -1.0573 26DOPE H12B 3232 1.144 1.683 6.964 -0.3461 0.6390 1.5853 26DOPE C11 3233 1.007 1.736 6.797 0.2581 0.8427 0.0537 26DOPE H11A 3234 1.052 1.662 6.726 -0.1707 0.4698 0.1652 26DOPE H11B 3235 1.052 1.837 6.785 0.1570 0.8599 -0.2003 26DOPE P 3236 0.810 1.773 6.638 0.2409 0.2125 -0.3801 26DOPE O13 3237 0.692 1.862 6.632 -0.1682 -0.3512 -0.8209 26DOPE O14 3238 0.799 1.642 6.568 0.1830 -0.2769 0.5296 26DOPE O11 3239 0.937 1.848 6.575 0.5666 -0.2762 -0.3160 26DOPE O12 3240 0.865 1.751 6.786 0.1394 -0.4991 -0.4437 26DOPE C1 3241 0.933 1.990 6.565 -0.1540 -0.2476 0.2834 26DOPE HA 3242 1.038 2.025 6.569 -0.7987 1.7544 1.2959 26DOPE HB 3243 0.877 2.035 6.650 -0.3977 -2.1261 1.1608 26DOPE C2 3244 0.871 2.041 6.433 0.2889 -0.2052 0.0898 26DOPE HS 3245 0.762 2.042 6.455 0.4121 0.3349 0.7181 26DOPE O21 3246 0.889 1.955 6.320 -0.1117 0.3307 -0.3889 26DOPE C21 3247 1.015 1.920 6.291 -0.1392 0.4053 -0.5993 26DOPE O22 3248 1.119 1.950 6.347 -0.0374 0.3041 -0.7344 26DOPE C22 3249 1.019 1.842 6.161 0.2514 -0.0979 -0.2897 26DOPE H2R 3250 0.917 1.810 6.131 -0.3872 2.4766 -1.1919 26DOPE H2S 3251 1.081 1.751 6.169 1.7774 1.0033 1.0970 26DOPE C3 3252 0.913 2.186 6.405 -0.0111 -0.1390 -0.0191 26DOPE HX 3253 1.022 2.196 6.425 -0.6191 1.2971 3.1682 26DOPE HY 3254 0.861 2.248 6.482 0.9920 -1.9438 2.2179 26DOPE O31 3255 0.886 2.220 6.269 0.1141 -0.2984 -0.0841 26DOPE C31 3256 0.944 2.333 6.229 -0.4691 0.0503 0.0439 26DOPE O32 3257 1.009 2.403 6.305 -0.4066 0.1828 -0.1311 26DOPE C32 3258 0.920 2.375 6.085 -0.1206 0.6617 0.1615 26DOPE H2X 3259 0.830 2.324 6.044 -1.0813 0.3591 2.5144 26DOPE H2Y 3260 0.899 2.482 6.105 0.4139 0.7568 0.2361 26DOPE C23 3261 1.067 1.938 6.051 0.0800 0.1898 -0.1153 26DOPE H3R 3262 1.166 1.978 6.081 -1.3275 2.6645 1.6267 26DOPE H3S 3263 0.997 2.024 6.043 -2.4736 -1.8413 -1.1875 26DOPE C24 3264 1.074 1.865 5.917 -0.0383 -0.1179 0.0459 26DOPE H4R 3265 0.970 1.844 5.883 -0.3928 0.4935 0.7463 26DOPE H4S 3266 1.139 1.775 5.913 0.1349 0.0319 -0.8464 26DOPE C25 3267 1.131 1.950 5.803 0.4582 -0.1008 0.3072 26DOPE H5R 3268 1.238 1.947 5.832 0.3633 -2.4249 0.5806 26DOPE H5S 3269 1.077 2.047 5.815 -0.1387 -0.4818 0.7765 26DOPE C26 3270 1.115 1.889 5.664 -0.4805 0.6504 0.0778 26DOPE H6R 3271 1.005 1.886 5.646 -0.1775 -1.4085 -1.9106 26DOPE H6S 3272 1.157 1.787 5.676 -0.6553 0.5198 -0.3899 26DOPE C27 3273 1.203 1.961 5.561 0.0635 0.3076 0.2975 26DOPE H7R 3274 1.303 1.914 5.563 0.2812 0.6683 -1.1616 26DOPE H7S 3275 1.228 2.062 5.600 1.1209 0.7715 -1.4662 26DOPE C28 3276 1.153 1.975 5.417 0.2292 0.1688 0.2268 26DOPE H8R 3277 1.209 2.050 5.357 -0.4584 0.5172 0.0149 26DOPE H8S 3278 1.046 2.003 5.412 0.0019 -0.7569 -0.1315 26DOPE C29 3279 1.175 1.846 5.345 1.2542 0.5436 -0.1590 26DOPE H9R 3280 1.138 1.757 5.398 -1.2633 1.5373 -0.0953 26DOPE C210 3281 1.237 1.820 5.229 0.1717 -0.7879 -0.4730 26DOPE H10R 3282 1.245 1.715 5.198 -1.6972 -1.1326 0.1162 26DOPE C211 3283 1.295 1.924 5.137 -0.0429 -0.1156 0.1459 26DOPE H11R 3284 1.379 1.980 5.184 0.1500 0.1857 -0.5421 26DOPE H11S 3285 1.216 1.997 5.110 1.0453 0.9563 -0.2180 26DOPE C212 3286 1.337 1.858 5.006 0.7332 0.5194 0.0715 26DOPE H12R 3287 1.264 1.779 4.978 -1.0199 1.2777 2.2522 26DOPE H12S 3288 1.436 1.813 5.030 1.1280 -0.9281 -3.5773 26DOPE C213 3289 1.364 1.959 4.893 0.4943 0.4565 -0.0418 26DOPE H13R 3290 1.412 2.045 4.944 -0.6049 0.6167 0.7711 26DOPE H13S 3291 1.263 1.987 4.855 0.3715 -0.3990 -0.3827 26DOPE C214 3292 1.443 1.904 4.774 -0.2270 0.0286 -0.3321 26DOPE H14R 3293 1.551 1.923 4.792 -0.6503 0.8137 1.6763 26DOPE H14S 3294 1.418 1.971 4.689 -0.2648 0.5156 0.0602 26DOPE C215 3295 1.417 1.758 4.736 -0.1964 -0.0665 0.0053 26DOPE H15R 3296 1.309 1.746 4.717 0.1817 -1.3424 -1.5776 26DOPE H15S 3297 1.447 1.681 4.810 -2.4149 -1.9258 -0.9119 26DOPE C216 3298 1.489 1.711 4.609 0.3303 0.0680 0.2500 26DOPE H16R 3299 1.594 1.735 4.636 0.4491 -0.1521 -0.0080 26DOPE H16S 3300 1.453 1.783 4.533 -2.6674 -0.1792 1.2991 26DOPE C217 3301 1.454 1.570 4.563 0.3330 0.0898 0.1806 26DOPE H17R 3302 1.350 1.561 4.523 1.0920 -0.4448 -1.7872 26DOPE H17S 3303 1.450 1.497 4.647 -1.1395 0.2871 0.3194 26DOPE C218 3304 1.555 1.509 4.466 -0.3332 -0.5313 -0.1378 26DOPE H18R 3305 1.661 1.517 4.497 0.0433 -2.0615 -0.9331 26DOPE H18S 3306 1.542 1.561 4.368 -1.1875 -0.0174 0.2391 26DOPE H18T 3307 1.536 1.404 4.435 -0.7828 -0.1357 -1.2788 26DOPE C33 3308 1.042 2.360 5.993 0.0300 0.1219 0.4478 26DOPE H3X 3309 1.071 2.253 5.989 0.7460 0.3162 0.1760 26DOPE H3Y 3310 1.127 2.412 6.043 -0.7670 -0.3364 2.3783 26DOPE C34 3311 1.032 2.410 5.849 0.1333 -0.6303 0.1769 26DOPE H4X 3312 1.014 2.519 5.840 1.5401 -0.4604 -0.9483 26DOPE H4Y 3313 0.932 2.375 5.817 0.7194 0.5371 -3.3338 26DOPE C35 3314 1.122 2.358 5.737 0.4305 0.1647 0.0340 26DOPE H5X 3315 1.122 2.247 5.726 -1.1045 0.1827 -0.3474 26DOPE H5Y 3316 1.225 2.389 5.765 -0.1855 0.5453 1.9806 26DOPE C36 3317 1.088 2.414 5.599 0.0346 -0.0740 0.0323 26DOPE H6X 3318 0.985 2.383 5.572 -0.3563 -0.2327 1.6125 26DOPE H6Y 3319 1.092 2.524 5.612 1.8852 -0.1044 -0.0052 26DOPE C37 3320 1.196 2.376 5.497 0.0704 -0.2269 0.1261 26DOPE H7X 3321 1.272 2.456 5.515 0.2837 -0.9456 2.7533 26DOPE H7Y 3322 1.219 2.274 5.533 0.1710 -0.2921 -0.1176 26DOPE C38 3323 1.143 2.368 5.354 -0.0061 -0.0860 0.1471 26DOPE H8X 3324 1.227 2.319 5.300 -2.1868 -2.3973 -1.3827 26DOPE H8Y 3325 1.061 2.294 5.343 0.6298 -0.8394 0.3707 26DOPE C39 3326 1.114 2.498 5.284 -0.3640 -0.0727 0.3178 26DOPE H9X 3327 1.203 2.555 5.253 -0.2497 0.1883 1.0935 26DOPE C310 3328 0.999 2.548 5.236 -0.0234 0.1172 -0.3158 26DOPE H10X 3329 1.011 2.645 5.187 1.1785 0.1552 0.0254 26DOPE C311 3330 0.859 2.496 5.254 0.2294 -0.3884 0.2334 26DOPE H11X 3331 0.847 2.387 5.270 1.2214 -0.4743 0.4986 26DOPE H11Y 3332 0.809 2.525 5.159 0.7673 -1.1014 -0.2827 26DOPE C312 3333 0.789 2.570 5.368 -0.4376 -0.3849 -0.1729 26DOPE H12X 3334 0.840 2.538 5.462 -1.5691 -0.5347 0.4038 26DOPE H12Y 3335 0.687 2.528 5.379 0.0727 -1.3819 0.9777 26DOPE C313 3336 0.779 2.722 5.352 -0.3833 -0.4011 -0.3648 26DOPE H13X 3337 0.884 2.758 5.361 -0.8142 0.6581 0.7986 26DOPE H13Y 3338 0.736 2.744 5.252 -1.6206 3.1556 0.7972 26DOPE C314 3339 0.698 2.796 5.458 0.2395 -0.2185 -0.0062 26DOPE H14X 3340 0.604 2.736 5.461 1.9257 -2.9679 1.3178 26DOPE H14Y 3341 0.673 2.899 5.423 0.9342 0.1623 0.5982 26DOPE C315 3342 0.760 2.805 5.598 -0.0335 0.5595 0.0707 26DOPE H15X 3343 0.772 2.905 5.645 0.2134 -0.6450 2.7167 26DOPE H15Y 3344 0.859 2.754 5.600 0.0131 0.6190 2.4597 26DOPE C316 3345 0.680 2.729 5.703 0.1965 -0.0417 -0.1863 26DOPE H16X 3346 0.656 2.622 5.682 -0.3353 -0.3414 1.7261 26DOPE H16Y 3347 0.585 2.783 5.725 1.2721 1.5685 0.6649 26DOPE C317 3348 0.753 2.726 5.838 -0.1739 -0.6158 0.0058 26DOPE H17X 3349 0.845 2.665 5.821 2.5713 3.1038 0.4279 26DOPE H17Y 3350 0.784 2.826 5.873 -0.7440 -0.5080 0.2152 26DOPE C318 3351 0.687 2.648 5.952 0.0075 -0.8871 -0.0726 26DOPE H18X 3352 0.759 2.629 6.034 -0.9624 -1.6707 0.6141 26DOPE H18Y 3353 0.596 2.697 5.994 2.3954 3.7880 0.3618 26DOPE H18Z 3354 0.653 2.549 5.914 0.4075 -1.3598 0.7790 27DOPE N 3355 1.282 3.860 6.950 -0.0150 -0.2745 0.2786 27DOPE HN1 3356 1.316 3.762 6.941 1.3085 0.1425 0.4323 27DOPE HN2 3357 1.229 3.868 7.039 -3.1828 -0.6974 -1.4426 27DOPE HN3 3358 1.224 3.888 6.869 1.0466 -0.3904 -0.5454 27DOPE C12 3359 1.406 3.946 6.966 -0.0738 -0.1213 -0.0807 27DOPE H12A 3360 1.449 3.916 7.064 -1.3041 0.0008 0.5179 27DOPE H12B 3361 1.377 4.053 6.969 0.5307 0.0529 -0.3010 27DOPE C11 3362 1.508 3.903 6.860 -0.2812 -0.4023 -0.1697 27DOPE H11A 3363 1.602 3.958 6.883 -0.7366 0.1022 0.5333 27DOPE H11B 3364 1.464 3.933 6.762 -2.2759 -1.8012 0.2377 27DOPE P 3365 1.619 3.708 6.754 -0.3956 0.2513 0.1752 27DOPE O13 3366 1.637 3.562 6.770 -0.3788 0.2787 0.3987 27DOPE O14 3367 1.741 3.791 6.766 0.0497 -0.4231 0.3262 27DOPE O11 3368 1.543 3.745 6.618 0.0196 0.6027 0.0346 27DOPE O12 3369 1.521 3.761 6.868 -0.8703 -0.4456 0.1004 27DOPE C1 3370 1.417 3.679 6.601 0.2034 0.3568 -0.4065 27DOPE HA 3371 1.345 3.744 6.547 -2.8481 -2.8440 -0.5364 27DOPE HB 3372 1.363 3.649 6.694 1.0037 -0.2755 -0.1288 27DOPE C2 3373 1.430 3.543 6.530 0.2366 0.0331 0.2042 27DOPE HS 3374 1.470 3.477 6.609 -0.5601 0.3805 0.9102 27DOPE O21 3375 1.523 3.541 6.421 -0.2123 -0.1283 -0.1794 27DOPE C21 3376 1.505 3.634 6.326 0.1982 0.6351 0.4723 27DOPE O22 3377 1.411 3.712 6.326 -0.3920 -0.0642 0.5667 27DOPE C22 3378 1.625 3.628 6.233 -0.1734 0.0103 0.0193 27DOPE H2R 3379 1.686 3.535 6.240 2.9887 1.8129 -1.2250 27DOPE H2S 3380 1.694 3.709 6.266 1.2664 -0.8821 -0.6743 27DOPE C3 3381 1.299 3.475 6.487 0.5525 -0.1704 -0.4577 27DOPE HX 3382 1.238 3.549 6.430 -0.6030 -0.8986 -0.1935 27DOPE HY 3383 1.235 3.443 6.571 -0.3181 -0.7230 -1.3134 27DOPE O31 3384 1.322 3.366 6.397 0.0393 -0.2835 -0.4555 27DOPE C31 3385 1.360 3.251 6.452 0.1933 -0.0447 -0.0497 27DOPE O32 3386 1.371 3.233 6.572 0.1474 -0.2721 -0.0775 27DOPE C32 3387 1.393 3.151 6.342 0.7315 -0.5146 0.5309 27DOPE H2X 3388 1.439 3.058 6.383 1.1966 -1.4668 -1.9696 27DOPE H2Y 3389 1.298 3.127 6.289 0.6301 -0.1717 0.5572 27DOPE C23 3390 1.576 3.637 6.089 -0.2622 -0.8513 -0.0090 27DOPE H3R 3391 1.518 3.730 6.071 -1.5676 -1.3111 1.5313 27DOPE H3S 3392 1.505 3.557 6.058 -0.6309 0.5738 -3.3249 27DOPE C24 3393 1.684 3.626 5.981 0.0380 -0.0068 0.2018 27DOPE H4R 3394 1.768 3.572 6.029 0.6767 1.4858 0.8363 27DOPE H4S 3395 1.728 3.721 5.943 -0.9289 0.4056 0.0906 27DOPE C25 3396 1.635 3.554 5.855 -0.1453 0.4501 0.0090 27DOPE H5R 3397 1.540 3.605 5.829 -0.2218 -0.1626 -0.9415 27DOPE H5S 3398 1.622 3.445 5.872 1.8451 0.2803 0.8403 27DOPE C26 3399 1.744 3.566 5.748 0.3448 -0.1587 0.4307 27DOPE H6R 3400 1.835 3.511 5.780 0.5779 -1.4103 -2.1305 27DOPE H6S 3401 1.770 3.673 5.738 0.3922 -0.2604 -0.6501 27DOPE C27 3402 1.689 3.533 5.609 0.5265 0.0079 0.3185 27DOPE H7R 3403 1.579 3.553 5.609 0.5007 -0.1367 0.3409 27DOPE H7S 3404 1.700 3.426 5.583 -0.2554 0.0514 -0.2395 27DOPE C28 3405 1.755 3.619 5.501 0.1227 0.0168 0.0746 27DOPE H8R 3406 1.864 3.597 5.497 0.0672 -1.1984 2.7558 27DOPE H8S 3407 1.743 3.723 5.539 2.6790 0.1324 0.7298 27DOPE C29 3408 1.694 3.599 5.365 -0.1221 0.3089 0.1393 27DOPE H9R 3409 1.586 3.618 5.358 -0.4463 -1.2547 0.5465 27DOPE C210 3410 1.752 3.550 5.255 0.4030 0.7106 0.2324 27DOPE H10R 3411 1.697 3.543 5.159 2.1137 0.7387 -0.7954 27DOPE C211 3412 1.900 3.530 5.244 0.2742 -0.3984 0.4858 27DOPE H11R 3413 1.911 3.420 5.260 -0.0308 -0.6649 -1.0313 27DOPE H11S 3414 1.955 3.597 5.314 -0.9287 2.2221 -0.9456 27DOPE C212 3415 1.944 3.542 5.099 0.1361 -0.0528 0.4729 27DOPE H12R 3416 1.936 3.650 5.071 -0.6352 -0.1327 0.3844 27DOPE H12S 3417 1.874 3.496 5.027 0.5361 -0.7576 0.5288 27DOPE C213 3418 2.089 3.497 5.074 -0.2452 -0.7981 -0.4526 27DOPE H13R 3419 2.086 3.387 5.087 3.0370 -0.9034 0.0657 27DOPE H13S 3420 2.147 3.540 5.158 -1.9622 0.0026 0.3811 27DOPE C214 3421 2.150 3.543 4.941 -0.4199 0.1492 -0.2098 27DOPE H14R 3422 2.169 3.653 4.948 1.9263 -0.2385 0.4212 27DOPE H14S 3423 2.074 3.518 4.865 2.0533 -1.2820 -2.3671 27DOPE C215 3424 2.278 3.463 4.919 0.1112 0.7708 0.5737 27DOPE H15R 3425 2.250 3.357 4.937 0.6413 0.5984 0.4029 27DOPE H15S 3426 2.347 3.486 5.004 -0.7409 0.8143 1.2719 27DOPE C216 3427 2.330 3.481 4.777 -0.5497 -0.3395 0.1870 27DOPE H16R 3428 2.249 3.473 4.701 0.3194 0.2424 -0.8267 27DOPE H16S 3429 2.414 3.413 4.749 1.5292 2.6450 -1.4100 27DOPE C217 3430 2.395 3.619 4.763 -0.2032 -0.5446 -0.2582 27DOPE H17R 3431 2.454 3.637 4.855 -1.4293 -2.6149 1.0106 27DOPE H17S 3432 2.317 3.696 4.748 0.3096 -0.3230 -2.0954 27DOPE C218 3433 2.474 3.625 4.632 -0.0353 -0.1081 -0.1366 27DOPE H18R 3434 2.570 3.568 4.631 0.1831 0.1608 1.8105 27DOPE H18S 3435 2.405 3.588 4.553 -1.0105 -2.1124 1.5706 27DOPE H18T 3436 2.516 3.723 4.601 1.0136 -1.0629 -1.9109 27DOPE C33 3437 1.486 3.215 6.239 -0.4162 -0.2814 -0.3888 27DOPE H3X 3438 1.579 3.253 6.287 -0.0616 1.0120 -1.9996 27DOPE H3Y 3439 1.437 3.299 6.185 0.1403 1.0640 1.0815 27DOPE C34 3440 1.544 3.115 6.140 0.1050 -0.2979 -0.0710 27DOPE H4X 3441 1.598 3.029 6.187 0.0313 -0.4092 -0.1881 27DOPE H4Y 3442 1.459 3.073 6.082 0.6900 0.6169 -1.6354 27DOPE C35 3443 1.638 3.180 6.038 0.3829 -0.3601 0.1453 27DOPE H5X 3444 1.729 3.221 6.088 1.5504 -1.6499 -0.8389 27DOPE H5Y 3445 1.576 3.268 6.009 0.7254 0.2543 1.2043 27DOPE C36 3446 1.671 3.096 5.915 0.1585 0.2223 -0.3177 27DOPE H6X 3447 1.734 3.010 5.946 -0.2654 0.2707 0.7434 27DOPE H6Y 3448 1.572 3.060 5.879 0.1156 2.5636 -2.8608 27DOPE C37 3449 1.729 3.167 5.793 0.4019 0.2563 -0.1826 27DOPE H7X 3450 1.654 3.238 5.751 0.7559 1.2506 0.8259 27DOPE H7Y 3451 1.808 3.231 5.838 -2.0906 2.6771 1.0502 27DOPE C38 3452 1.780 3.070 5.686 -0.3210 -0.2124 -0.1102 27DOPE H8X 3453 1.855 3.008 5.739 -0.2675 0.4085 0.5615 27DOPE H8Y 3454 1.697 3.005 5.651 -1.0061 0.1624 0.7823 27DOPE C39 3455 1.845 3.159 5.584 -0.7874 0.2198 -0.0368 27DOPE H9X 3456 1.917 3.226 5.632 0.7041 -1.6697 0.4962 27DOPE C310 3457 1.824 3.163 5.452 -0.0433 0.7253 -0.1454 27DOPE H10X 3458 1.870 3.251 5.403 -0.7225 0.2143 -1.7773 27DOPE C311 3459 1.741 3.082 5.356 0.2784 0.1036 0.0962 27DOPE H11X 3460 1.713 2.986 5.405 0.6166 0.3292 0.7513 27DOPE H11Y 3461 1.650 3.144 5.339 -1.5094 -2.0115 1.2845 27DOPE C312 3462 1.800 3.060 5.217 0.0113 0.1217 -0.0206 27DOPE H12X 3463 1.806 3.154 5.159 1.1282 -0.4347 -0.8422 27DOPE H12Y 3464 1.905 3.027 5.230 -0.5090 -1.5384 0.1893 27DOPE C313 3465 1.729 2.948 5.139 0.2498 0.0131 -0.0837 27DOPE H13X 3466 1.709 2.861 5.204 -2.3131 0.4837 -0.1452 27DOPE H13Y 3467 1.633 2.986 5.098 0.6205 1.6596 0.4627 27DOPE C314 3468 1.810 2.887 5.025 0.7838 0.2264 0.1760 27DOPE H14X 3469 1.896 2.833 5.069 0.0615 -0.9750 0.1447 27DOPE H14Y 3470 1.849 2.959 4.950 2.5370 1.7251 2.3867 27DOPE C315 3471 1.729 2.783 4.948 -0.0191 0.5659 0.5499 27DOPE H15X 3472 1.690 2.716 5.027 -3.7220 -0.1244 -1.6153 27DOPE H15Y 3473 1.641 2.829 4.898 0.3495 -0.5684 -1.2736 27DOPE C316 3474 1.801 2.705 4.837 -0.6635 0.1469 0.4170 27DOPE H16X 3475 1.844 2.779 4.766 0.6674 -0.7661 0.2437 27DOPE H16Y 3476 1.896 2.666 4.880 1.1318 0.1350 -3.1875 27DOPE C317 3477 1.728 2.590 4.769 -0.3101 0.1176 0.0833 27DOPE H17X 3478 1.706 2.508 4.841 -0.1128 -0.4698 -0.5183 27DOPE H17Y 3479 1.637 2.635 4.724 -0.0671 1.2293 0.6787 27DOPE C318 3480 1.812 2.519 4.663 -0.7736 0.3716 -0.4571 27DOPE H18X 3481 1.747 2.465 4.591 -1.7232 -0.3438 0.8967 27DOPE H18Y 3482 1.868 2.594 4.602 -1.1375 0.1013 -1.1398 27DOPE H18Z 3483 1.887 2.454 4.713 0.2028 0.9245 -1.1601 28DOPE N 3484 3.718 1.132 6.717 0.3018 0.1262 -0.3840 28DOPE HN1 3485 3.804 1.101 6.667 1.4559 -0.8765 2.0616 28DOPE HN2 3486 3.646 1.058 6.716 -0.5519 0.9344 -0.9775 28DOPE HN3 3487 3.693 1.220 6.667 0.3240 -0.0104 -0.6398 28DOPE C12 3488 3.760 1.162 6.859 -0.2173 -0.0540 -0.1925 28DOPE H12A 3489 3.815 1.072 6.895 -1.3704 -0.7057 -0.0096 28DOPE H12B 3490 3.668 1.178 6.919 0.2266 0.2554 0.4186 28DOPE C11 3491 3.853 1.283 6.868 0.0701 -0.2760 -0.1484 28DOPE H11A 3492 3.896 1.282 6.970 1.6249 -0.1558 -0.7798 28DOPE H11B 3493 3.800 1.380 6.855 0.9479 0.3395 0.7603 28DOPE P 3494 4.086 1.362 6.785 0.0207 0.0908 -0.0424 28DOPE O13 3495 4.201 1.271 6.806 -0.1126 0.0106 0.3516 28DOPE O14 3496 4.069 1.474 6.880 0.1236 0.0419 0.0344 28DOPE O11 3497 4.094 1.418 6.636 -0.3318 0.6387 0.1425 28DOPE O12 3498 3.960 1.263 6.775 0.0721 0.0424 -0.2168 28DOPE C1 3499 3.988 1.469 6.554 -0.2992 0.3971 -0.0503 28DOPE HA 3500 4.028 1.548 6.487 -0.2392 -0.3103 -0.8619 28DOPE HB 3501 3.908 1.512 6.618 -0.9777 -2.0570 0.8851 28DOPE C2 3502 3.931 1.361 6.461 0.0014 0.0128 0.2081 28DOPE HS 3503 3.884 1.283 6.524 0.0005 -1.0339 -1.0309 28DOPE O21 3504 4.033 1.300 6.382 -0.2172 -0.0398 -0.0368 28DOPE C21 3505 4.004 1.177 6.338 -0.4602 -0.0152 0.0535 28DOPE O22 3506 3.907 1.116 6.380 -0.1583 -0.2430 0.4306 28DOPE C22 3507 4.091 1.129 6.222 -0.3781 0.3873 -0.0520 28DOPE H2R 3508 4.088 1.018 6.225 -0.0320 0.3817 2.1528 28DOPE H2S 3509 4.197 1.161 6.230 -0.3155 -0.0556 1.1135 28DOPE C3 3510 3.813 1.406 6.373 0.0392 0.4447 0.3778 28DOPE HX 3511 3.744 1.457 6.444 -1.7134 -3.8567 2.1088 28DOPE HY 3512 3.750 1.317 6.350 -0.5796 0.9524 0.0622 28DOPE O31 3513 3.844 1.478 6.254 0.2369 0.0194 0.1691 28DOPE C31 3514 3.782 1.595 6.235 0.3401 0.0569 0.0575 28DOPE O32 3515 3.693 1.640 6.306 0.3862 0.1532 0.0528 28DOPE C32 3516 3.829 1.667 6.110 0.6161 0.1722 0.2272 28DOPE H2X 3517 3.739 1.711 6.061 -1.2665 -0.3480 3.0024 28DOPE H2Y 3518 3.888 1.755 6.143 -0.4424 0.2888 1.8858 28DOPE C23 3519 4.042 1.187 6.089 -0.0630 0.5696 -0.0897 28DOPE H3R 3520 4.085 1.290 6.095 -0.5146 0.7143 0.8413 28DOPE H3S 3521 3.931 1.197 6.088 -0.1852 -0.7178 -0.4339 28DOPE C24 3522 4.088 1.095 5.977 -0.5116 0.2082 0.0237 28DOPE H4R 3523 4.050 0.992 5.999 0.6738 -0.8241 -2.3898 28DOPE H4S 3524 4.198 1.105 5.988 -0.7061 2.1847 0.4905 28DOPE C25 3525 4.044 1.130 5.834 -0.9875 -0.4143 0.0098 28DOPE H5R 3526 4.082 1.232 5.810 2.5273 -1.5160 0.2905 28DOPE H5S 3527 3.933 1.130 5.824 -1.2439 -0.2843 2.2665 28DOPE C26 3528 4.105 1.040 5.727 0.4120 0.3456 0.1434 28DOPE H6R 3529 4.105 0.932 5.751 1.5861 -0.6202 -3.5707 28DOPE H6S 3530 4.211 1.074 5.719 0.5546 0.0098 0.5683 28DOPE C27 3531 4.040 1.070 5.591 0.3926 0.3232 0.1485 28DOPE H7R 3532 4.042 1.177 5.560 -1.3602 -0.0895 -1.5546 28DOPE H7S 3533 3.931 1.049 5.601 0.6774 -0.5729 1.7992 28DOPE C28 3534 4.095 0.981 5.480 -0.1091 0.1615 0.0273 28DOPE H8R 3535 4.118 0.885 5.530 0.1295 -0.6519 -1.5757 28DOPE H8S 3536 4.194 1.016 5.443 0.6151 -1.3999 0.3816 28DOPE C29 3537 3.991 0.957 5.374 0.0418 -0.6680 0.0657 28DOPE H9R 3538 3.902 0.905 5.411 0.2630 0.5165 2.4425 28DOPE C210 3539 4.002 0.965 5.241 0.3948 0.0352 0.1330 28DOPE H10R 3540 3.914 0.933 5.183 1.0585 -0.5109 -0.5977 28DOPE C211 3541 4.123 1.011 5.164 0.6328 -0.5275 0.1600 28DOPE H11R 3542 4.196 0.929 5.154 0.0501 -1.2598 1.6637 28DOPE H11S 3543 4.167 1.093 5.225 -1.7547 0.4169 0.7645 28DOPE C212 3544 4.074 1.071 5.032 0.9738 -0.7591 -0.0729 28DOPE H12R 3545 3.996 1.147 5.057 1.4262 0.0308 -0.9940 28DOPE H12S 3546 4.044 0.980 4.976 3.1235 -2.0178 0.7370 28DOPE C213 3547 4.193 1.137 4.962 0.4271 -0.3433 -0.6207 28DOPE H13R 3548 4.256 1.052 4.929 -0.8065 -1.6831 0.3644 28DOPE H13S 3549 4.242 1.210 5.030 -0.3515 0.7248 -1.1675 28DOPE C214 3550 4.151 1.206 4.832 0.0717 0.0190 -0.3157 28DOPE H14R 3551 4.241 1.249 4.784 0.7143 -0.8410 0.0850 28DOPE H14S 3552 4.082 1.292 4.851 -0.5467 -0.6122 0.3652 28DOPE C215 3553 4.096 1.123 4.716 -0.3926 0.0499 -0.1210 28DOPE H15R 3554 4.014 1.056 4.750 -1.2249 0.2511 -1.6422 28DOPE H15S 3555 4.181 1.068 4.670 -0.0452 1.3167 -1.0462 28DOPE C216 3556 4.028 1.206 4.607 -0.5421 0.3824 0.2263 28DOPE H16R 3557 4.103 1.279 4.571 0.7827 -0.0941 1.8676 28DOPE H16S 3558 3.941 1.259 4.652 0.8758 3.1031 0.0320 28DOPE C217 3559 3.985 1.130 4.482 -0.3535 -0.0015 0.3956 28DOPE H17R 3560 3.923 1.190 4.413 0.6514 -0.0801 -0.6033 28DOPE H17S 3561 3.928 1.038 4.508 -0.6158 -0.4649 -1.6539 28DOPE C218 3562 4.106 1.099 4.394 -0.0516 0.8228 0.5180 28DOPE H18R 3563 4.185 1.044 4.450 1.2299 2.2795 0.2296 28DOPE H18S 3564 4.153 1.187 4.345 -0.8278 1.9213 1.6614 28DOPE H18T 3565 4.078 1.019 4.323 -1.2476 0.2715 1.5735 28DOPE C33 3566 3.904 1.568 6.021 0.1351 -0.0008 0.0076 28DOPE H3X 3567 3.831 1.504 5.968 1.1096 0.1210 -1.5524 28DOPE H3Y 3568 3.981 1.507 6.074 -0.4255 -0.7915 -0.0612 28DOPE C34 3569 3.984 1.635 5.909 -0.4125 0.0569 -0.3491 28DOPE H4X 3570 4.090 1.644 5.939 -0.0833 1.2514 -1.7288 28DOPE H4Y 3571 3.937 1.735 5.898 2.9651 2.0854 1.8560 28DOPE C35 3572 3.989 1.546 5.785 0.1922 -0.0579 -0.2450 28DOPE H5X 3573 4.021 1.445 5.817 1.0353 0.0245 -0.7911 28DOPE H5Y 3574 4.062 1.592 5.716 -1.8885 3.4402 -0.3511 28DOPE C36 3575 3.854 1.534 5.713 0.1578 0.6366 -0.2985 28DOPE H6X 3576 3.834 1.635 5.672 -0.3466 0.5774 -0.2062 28DOPE H6Y 3577 3.767 1.507 5.777 2.2679 -2.1502 1.6604 28DOPE C37 3578 3.847 1.436 5.596 0.1085 -0.0921 0.3070 28DOPE H7X 3579 3.876 1.337 5.637 0.5631 -0.4095 -0.7331 28DOPE H7Y 3580 3.749 1.422 5.547 0.6791 0.2424 -0.9652 28DOPE C38 3581 3.943 1.468 5.481 -0.0058 0.4332 0.3572 28DOPE H8X 3582 4.046 1.471 5.520 0.4792 -2.1899 -0.5564 28DOPE H8Y 3583 3.938 1.384 5.408 0.2344 0.1010 0.7209 28DOPE C39 3584 3.915 1.586 5.392 -0.6396 0.0377 0.0212 28DOPE H9X 3585 3.914 1.678 5.454 2.0678 -0.3054 0.6971 28DOPE C310 3586 3.901 1.598 5.260 -1.0475 0.7024 0.1163 28DOPE H10X 3587 3.865 1.692 5.215 -3.7450 0.8030 2.2432 28DOPE C311 3588 3.912 1.487 5.159 -0.1635 0.6762 0.2338 28DOPE H11X 3589 3.815 1.432 5.162 -0.1093 0.6004 0.7885 28DOPE H11Y 3590 3.990 1.412 5.185 -1.4720 -0.8325 -0.0407 28DOPE C312 3591 3.942 1.535 5.017 0.4541 -0.3149 0.0212 28DOPE H12X 3592 3.883 1.627 5.000 -0.0331 -0.2469 1.8136 28DOPE H12Y 3593 3.893 1.463 4.949 -0.7467 -0.3429 0.8884 28DOPE C313 3594 4.089 1.552 4.978 0.4470 -0.1504 0.0636 28DOPE H13X 3595 4.131 1.449 4.984 -0.3949 -0.5260 -0.2689 28DOPE H13Y 3596 4.139 1.613 5.056 0.1485 1.2080 -0.7951 28DOPE C314 3597 4.116 1.602 4.836 -1.1180 -0.1304 -0.2416 28DOPE H14X 3598 4.052 1.546 4.765 -1.0285 0.5686 -0.8808 28DOPE H14Y 3599 4.092 1.711 4.843 -2.4699 -0.3013 -1.7082 28DOPE C315 3600 4.265 1.589 4.806 -1.0226 0.1583 0.0876 28DOPE H15X 3601 4.316 1.610 4.902 -2.4487 -0.5231 1.0204 28DOPE H15Y 3602 4.278 1.480 4.786 1.6307 -0.1799 2.8920 28DOPE C316 3603 4.306 1.669 4.682 0.3112 -0.2009 0.2763 28DOPE H16X 3604 4.283 1.777 4.694 1.1021 0.3589 -2.5027 28DOPE H16Y 3605 4.258 1.626 4.591 1.2450 1.3278 -0.9942 28DOPE C317 3606 4.455 1.657 4.648 -0.0118 -0.4064 -1.1635 28DOPE H17X 3607 4.488 1.552 4.659 -0.0973 -0.3435 -0.1165 28DOPE H17Y 3608 4.476 1.695 4.546 1.5012 -2.7144 -1.7793 28DOPE C318 3609 4.534 1.755 4.735 -0.6242 -0.7077 -0.2410 28DOPE H18X 3610 4.629 1.790 4.688 -0.3337 -0.6370 0.3868 28DOPE H18Y 3611 4.477 1.848 4.758 1.3091 0.0139 1.9781 28DOPE H18Z 3612 4.559 1.709 4.832 0.9009 -1.7058 -1.0643 29DOPE N 3613 0.530 5.067 6.913 -0.3538 0.2034 -0.4521 29DOPE HN1 3614 0.490 4.972 6.931 0.5433 0.0272 0.7404 29DOPE HN2 3615 0.631 5.056 6.893 0.3182 1.3771 1.9015 29DOPE HN3 3616 0.525 5.132 6.994 -0.0170 0.4864 -0.6544 29DOPE C12 3617 0.459 5.128 6.794 -0.2995 -0.2304 -0.7111 29DOPE H12A 3618 0.363 5.164 6.837 1.5199 3.3721 0.7979 29DOPE H12B 3619 0.447 5.049 6.717 -2.0449 -1.1376 0.4285 29DOPE C11 3620 0.538 5.242 6.729 0.4367 -0.2806 0.0695 29DOPE H11A 3621 0.467 5.310 6.677 0.6930 -0.3002 -0.3111 29DOPE H11B 3622 0.611 5.192 6.662 -1.2755 -2.2188 -0.4931 29DOPE P 3623 0.637 5.463 6.796 0.0757 0.1921 -0.2103 29DOPE O13 3624 0.736 5.522 6.890 -0.0868 0.0584 0.0451 29DOPE O14 3625 0.506 5.532 6.792 -0.0897 -0.1319 -0.3925 29DOPE O11 3626 0.691 5.448 6.646 0.0016 -0.3772 -0.1789 29DOPE O12 3627 0.604 5.312 6.834 -0.7225 0.4904 0.3077 29DOPE C1 3628 0.733 5.561 6.570 0.0705 -0.2076 0.1116 29DOPE HA 3629 0.843 5.575 6.577 0.1110 -0.2165 -0.4638 29DOPE HB 3630 0.676 5.650 6.606 -1.2322 -1.4451 1.2587 29DOPE C2 3631 0.693 5.536 6.424 -0.6648 -0.4913 0.3565 29DOPE HS 3632 0.583 5.518 6.421 -1.3004 2.8811 -0.1424 29DOPE O21 3633 0.771 5.422 6.387 -0.1521 -0.2041 0.5412 29DOPE C21 3634 0.709 5.304 6.378 0.3390 -0.4604 0.4968 29DOPE O22 3635 0.596 5.279 6.416 0.2575 -0.3895 0.3042 29DOPE C22 3636 0.795 5.207 6.298 0.3409 -0.2574 0.2520 29DOPE H2R 3637 0.865 5.162 6.371 1.2618 0.9130 0.1200 29DOPE H2S 3638 0.852 5.272 6.228 -1.3349 1.5090 0.4477 29DOPE C3 3639 0.733 5.658 6.340 -0.3513 -0.4996 0.4898 29DOPE HX 3640 0.840 5.647 6.313 -0.0491 3.5368 -0.5886 29DOPE HY 3641 0.727 5.745 6.409 -0.7872 1.8430 -2.2993 29DOPE O31 3642 0.639 5.677 6.234 0.0700 -0.3422 0.1415 29DOPE C31 3643 0.671 5.619 6.118 -0.0094 0.4678 -0.2995 29DOPE O32 3644 0.773 5.557 6.094 -0.2686 -0.3968 0.7127 29DOPE C32 3645 0.545 5.633 6.033 -0.1522 0.0469 -0.1628 29DOPE H2X 3646 0.462 5.614 6.105 1.5466 -0.1208 1.8730 29DOPE H2Y 3647 0.536 5.738 5.997 0.2761 0.2994 0.4338 29DOPE C23 3648 0.705 5.101 6.234 -0.2132 0.0685 0.4835 29DOPE H3R 3649 0.617 5.067 6.292 0.5199 1.7641 2.7459 29DOPE H3S 3650 0.761 5.008 6.211 -1.4321 -0.8926 1.3153 29DOPE C24 3651 0.654 5.157 6.101 -0.0988 -0.6559 0.1265 29DOPE H4R 3652 0.746 5.171 6.040 0.7828 -0.9674 1.3527 29DOPE H4S 3653 0.604 5.254 6.126 -0.4681 -0.8914 0.3065 29DOPE C25 3654 0.538 5.079 6.040 -0.1837 -0.4465 0.0172 29DOPE H5R 3655 0.436 5.083 6.084 -0.4750 -1.3944 -0.5419 29DOPE H5S 3656 0.561 4.970 6.037 0.5532 -0.2926 -2.0402 29DOPE C26 3657 0.513 5.132 5.898 -0.0127 0.2191 0.2347 29DOPE H6R 3658 0.506 5.243 5.902 -1.1361 0.2127 -1.0694 29DOPE H6S 3659 0.414 5.093 5.867 0.2377 -0.5473 0.3748 29DOPE C27 3660 0.622 5.087 5.801 -0.0844 -0.0308 0.2698 29DOPE H7R 3661 0.620 4.976 5.812 0.2264 -0.0374 0.2631 29DOPE H7S 3662 0.722 5.118 5.838 -0.4596 1.5440 0.0336 29DOPE C28 3663 0.610 5.134 5.656 -0.7845 -0.0681 0.3146 29DOPE H8R 3664 0.691 5.082 5.601 -1.9282 -1.1339 -0.4402 29DOPE H8S 3665 0.639 5.241 5.649 -0.3167 -0.1941 0.2976 29DOPE C29 3666 0.476 5.102 5.596 -0.3730 -0.2183 -0.5376 29DOPE H9R 3667 0.391 5.155 5.641 0.0336 0.2269 -0.2866 29DOPE C210 3668 0.456 5.028 5.486 -0.6035 -0.5760 -0.2540 29DOPE H10R 3669 0.355 5.012 5.444 -0.4423 0.5745 -1.1215 29DOPE C211 3670 0.558 4.967 5.394 0.3043 0.7053 -0.1090 29DOPE H11R 3671 0.566 4.859 5.419 -4.1147 0.3085 0.3929 29DOPE H11S 3672 0.661 5.008 5.399 1.2398 -1.5014 -0.5478 29DOPE C212 3673 0.502 4.991 5.254 -0.3196 0.4163 0.0869 29DOPE H12R 3674 0.410 4.929 5.248 -0.9862 1.3201 0.8788 29DOPE H12S 3675 0.571 4.950 5.176 1.9578 -0.5837 2.4916 29DOPE C213 3676 0.455 5.131 5.216 0.3055 0.5749 -0.1193 29DOPE H13R 3677 0.514 5.207 5.270 -0.4834 0.7875 0.4627 29DOPE H13S 3678 0.347 5.132 5.244 -0.0607 1.9315 -1.4599 29DOPE C214 3679 0.466 5.156 5.065 0.0869 0.6241 -0.1280 29DOPE H14R 3680 0.412 5.247 5.031 0.9841 1.3463 0.3308 29DOPE H14S 3681 0.419 5.070 5.012 -0.8428 0.3591 1.0828 29DOPE C215 3682 0.609 5.154 5.010 0.1514 -0.4466 0.0554 29DOPE H15R 3683 0.670 5.067 5.043 1.6634 0.4731 -0.2086 29DOPE H15S 3684 0.664 5.244 5.043 -1.3964 0.1128 1.2301 29DOPE C216 3685 0.629 5.154 4.858 0.8921 -0.1006 0.1510 29DOPE H16R 3686 0.605 5.055 4.814 -0.6272 -0.5780 1.9272 29DOPE H16S 3687 0.740 5.159 4.846 0.5638 0.7184 -3.4840 29DOPE C217 3688 0.559 5.268 4.785 -0.5291 -1.1700 -0.1952 29DOPE H17R 3689 0.585 5.368 4.825 1.1778 -0.8233 -1.9775 29DOPE H17S 3690 0.448 5.258 4.786 -0.4630 -1.8982 0.5343 29DOPE C218 3691 0.598 5.274 4.637 0.2544 0.1677 0.0477 29DOPE H18R 3692 0.704 5.306 4.630 0.4060 -0.2563 0.3641 29DOPE H18S 3693 0.524 5.335 4.580 -0.8650 -0.5550 0.6751 29DOPE H18T 3694 0.607 5.175 4.588 3.3709 -0.6152 1.9480 29DOPE C33 3695 0.539 5.535 5.916 -0.4267 0.1795 -0.2604 29DOPE H3X 3696 0.558 5.437 5.965 0.2369 0.3125 -0.2365 29DOPE H3Y 3697 0.620 5.554 5.843 0.0821 -0.8842 0.0097 29DOPE C34 3698 0.406 5.549 5.842 -0.7319 0.0921 0.2624 29DOPE H4X 3699 0.319 5.531 5.908 -0.3752 0.0268 0.7192 29DOPE H4Y 3700 0.406 5.654 5.806 3.3505 0.5599 1.1279 29DOPE C35 3701 0.398 5.452 5.724 -0.4126 0.3238 0.0456 29DOPE H5X 3702 0.408 5.346 5.758 1.6908 0.8478 1.2248 29DOPE H5Y 3703 0.491 5.470 5.666 -0.1536 1.0262 0.6705 29DOPE C36 3704 0.272 5.468 5.638 -0.8003 -0.0946 0.5280 29DOPE H6X 3705 0.177 5.442 5.690 -0.2041 -1.1218 1.1465 29DOPE H6Y 3706 0.271 5.576 5.613 -0.4129 0.0778 1.2367 29DOPE C37 3707 0.287 5.395 5.504 0.0752 0.2176 0.4508 29DOPE H7X 3708 0.380 5.421 5.448 0.1464 -1.0851 -0.0540 29DOPE H7Y 3709 0.280 5.285 5.510 0.7234 0.1929 0.8912 29DOPE C38 3710 0.176 5.426 5.404 0.0432 -0.2396 0.3457 29DOPE H8X 3711 0.074 5.419 5.445 -1.1961 0.5785 -2.3565 29DOPE H8Y 3712 0.186 5.339 5.334 0.1458 -1.3851 1.7441 29DOPE C39 3713 0.184 5.548 5.317 0.1770 -0.4606 0.0404 29DOPE H9X 3714 0.250 5.630 5.351 0.6303 -0.3821 -1.0015 29DOPE C310 3715 0.131 5.554 5.194 0.0686 0.5815 0.1241 29DOPE H10X 3716 0.147 5.648 5.140 -0.8874 -0.1152 -1.4321 29DOPE C311 3717 0.048 5.451 5.124 -0.3527 0.9554 0.0738 29DOPE H11X 3718 0.039 5.360 5.187 -1.2673 1.5929 0.9012 29DOPE H11Y 3719 -0.051 5.501 5.117 -1.0450 -0.1753 1.3240 29DOPE C312 3720 0.105 5.428 4.984 -0.3032 0.6109 0.1500 29DOPE H12X 3721 0.200 5.373 5.001 -0.2677 1.1057 1.7366 29DOPE H12Y 3722 0.043 5.345 4.945 -0.5667 0.6460 0.4867 29DOPE C313 3723 0.114 5.547 4.890 -0.2701 0.6334 0.1819 29DOPE H13X 3724 0.111 5.641 4.949 0.2237 1.1743 -0.6308 29DOPE H13Y 3725 0.020 5.541 4.831 0.4186 0.9007 -0.9818 29DOPE C314 3726 0.232 5.543 4.792 -0.2885 -0.1399 0.1898 29DOPE H14X 3727 0.324 5.573 4.848 -0.0987 0.4056 -0.4149 29DOPE H14Y 3728 0.232 5.436 4.763 -2.0794 -0.1138 -0.0404 29DOPE C315 3729 0.216 5.637 4.673 -0.2370 -0.0798 0.2295 29DOPE H15X 3730 0.163 5.732 4.695 -0.1302 0.0129 0.0890 29DOPE H15Y 3731 0.154 5.574 4.605 0.4038 -0.6514 0.1678 29DOPE C316 3732 0.354 5.666 4.613 -0.6701 -0.0816 -0.7961 29DOPE H16X 3733 0.419 5.700 4.696 -1.5639 -0.4630 0.0869 29DOPE H16Y 3734 0.394 5.566 4.584 2.3812 0.8956 -0.2284 29DOPE C317 3735 0.364 5.750 4.486 0.7243 0.4872 -0.3246 29DOPE H17X 3736 0.317 5.845 4.521 -0.3383 0.0084 -0.4022 29DOPE H17Y 3737 0.471 5.769 4.462 0.9677 -1.8902 -1.3713 29DOPE C318 3738 0.296 5.696 4.361 0.1729 0.6437 -0.0952 29DOPE H18X 3739 0.186 5.681 4.370 0.3841 -1.3191 -0.2955 29DOPE H18Y 3740 0.304 5.774 4.282 0.3928 -0.2003 -0.9184 29DOPE H18Z 3741 0.349 5.603 4.330 -1.0603 -0.3497 0.6842 30DOPE N 3742 2.114 5.966 6.461 0.7582 0.3836 -0.3377 30DOPE HN1 3743 2.057 6.032 6.517 -1.4695 -0.4486 -1.5036 30DOPE HN2 3744 2.158 5.892 6.519 -1.3131 -1.3696 -0.8771 30DOPE HN3 3745 2.190 6.016 6.409 -0.1768 0.2207 -1.9529 30DOPE C12 3746 2.032 5.896 6.355 0.4030 -0.3501 0.4201 30DOPE H12A 3747 1.950 5.843 6.408 0.7008 0.3642 1.6395 30DOPE H12B 3748 2.109 5.827 6.313 1.4318 0.3886 1.0454 30DOPE C11 3749 1.981 5.998 6.253 -0.5300 -0.6770 0.5523 30DOPE H11A 3750 1.948 5.940 6.164 -1.8438 1.8252 -0.6992 30DOPE H11B 3751 2.067 6.064 6.231 -2.0661 1.4512 0.5938 30DOPE P 3752 1.725 6.028 6.292 -0.2188 -0.0761 -0.3299 30DOPE O13 3753 1.632 6.143 6.290 0.2404 0.2968 -0.3038 30DOPE O14 3754 1.717 5.933 6.405 0.4948 0.1203 -0.1084 30DOPE O11 3755 1.712 5.957 6.149 -0.4895 -0.4163 -0.1373 30DOPE O12 3756 1.874 6.085 6.291 -0.2027 -0.1128 0.1873 30DOPE C1 3757 1.751 6.019 6.026 -0.0838 0.3119 0.3539 30DOPE HA 3758 1.822 5.954 5.971 0.3858 0.5205 0.7026 30DOPE HB 3759 1.795 6.120 6.034 0.8964 0.1486 -2.2213 30DOPE C2 3760 1.632 6.029 5.931 0.2083 -0.2028 -0.0726 30DOPE HS 3761 1.543 6.064 5.988 0.6977 -0.0345 0.5826 30DOPE O21 3762 1.613 5.902 5.867 -0.1437 -0.0939 -0.1952 30DOPE C21 3763 1.488 5.892 5.821 -0.0057 -0.4531 -0.4899 30DOPE O22 3764 1.398 5.964 5.859 0.4034 -0.0109 -0.3507 30DOPE C22 3765 1.476 5.770 5.731 -0.1757 -0.9313 0.1745 30DOPE H2R 3766 1.467 5.687 5.804 -0.6521 1.3673 2.9192 30DOPE H2S 3767 1.563 5.763 5.662 -0.6545 -0.7842 -0.4570 30DOPE C3 3768 1.662 6.138 5.827 0.1675 0.0663 0.1963 30DOPE HX 3769 1.656 6.235 5.882 -0.2031 0.1386 0.0368 30DOPE HY 3770 1.579 6.153 5.755 -0.1444 2.5873 0.9828 30DOPE O31 3771 1.791 6.124 5.766 0.0415 0.0923 -0.0817 30DOPE C31 3772 1.788 6.056 5.652 0.0647 0.3575 -0.2426 30DOPE O32 3773 1.685 6.037 5.590 -0.1850 -0.0530 0.2858 30DOPE C32 3774 1.928 6.007 5.620 -0.1256 -0.3576 -0.0038 30DOPE H2X 3775 1.983 6.078 5.554 -1.4966 0.7022 -0.0364 30DOPE H2Y 3776 1.988 6.002 5.714 -0.3862 0.4082 0.2115 30DOPE C23 3777 1.358 5.780 5.633 0.2088 -0.1774 -0.2200 30DOPE H3R 3778 1.358 5.880 5.585 -0.7212 0.0660 0.2571 30DOPE H3S 3779 1.262 5.789 5.689 -0.1775 1.9888 -1.1228 30DOPE C24 3780 1.369 5.657 5.542 -0.1791 -0.0063 -0.4991 30DOPE H4R 3781 1.353 5.567 5.606 -0.6026 1.1729 1.1422 30DOPE H4S 3782 1.472 5.643 5.505 1.0819 0.5003 2.5173 30DOPE C25 3783 1.270 5.664 5.426 -0.0023 -0.0571 -0.6529 30DOPE H5R 3784 1.269 5.759 5.368 0.7589 0.6580 0.4769 30DOPE H5S 3785 1.165 5.648 5.458 -1.0931 0.4453 -3.6587 30DOPE C26 3786 1.304 5.558 5.321 -0.1967 -0.1274 -0.6461 30DOPE H6R 3787 1.295 5.461 5.375 -0.7758 0.2116 -0.1312 30DOPE H6S 3788 1.410 5.568 5.287 1.1246 -1.9832 2.4157 30DOPE C27 3789 1.222 5.552 5.192 0.0124 -0.0563 -0.7840 30DOPE H7R 3790 1.117 5.564 5.225 1.1253 2.1608 2.5064 30DOPE H7S 3791 1.234 5.450 5.150 -0.3265 0.5404 -2.4080 30DOPE C28 3792 1.268 5.648 5.082 0.2022 1.1904 0.3447 30DOPE H8R 3793 1.274 5.755 5.111 -1.4613 1.3860 0.0691 30DOPE H8S 3794 1.184 5.649 5.009 1.8278 -0.7218 -1.7072 30DOPE C29 3795 1.389 5.606 5.003 -0.6816 0.1187 -0.4859 30DOPE H9R 3796 1.448 5.526 5.049 0.4299 -0.0904 -2.2003 30DOPE C210 3797 1.424 5.655 4.884 0.4687 0.3628 -0.0576 30DOPE H10R 3798 1.507 5.616 4.823 0.3271 -0.1878 0.1014 30DOPE C211 3799 1.344 5.756 4.805 -0.1094 -0.1370 -0.1164 30DOPE H11R 3800 1.238 5.751 4.835 -0.3284 -2.5418 -1.0608 30DOPE H11S 3801 1.345 5.736 4.696 -0.4006 0.2078 -0.1804 30DOPE C212 3802 1.392 5.901 4.818 -0.1067 -0.1498 0.0252 30DOPE H12R 3803 1.491 5.915 4.769 -0.1842 -1.3637 -0.5438 30DOPE H12S 3804 1.398 5.926 4.925 -3.0613 0.1959 0.1859 30DOPE C213 3805 1.291 5.994 4.751 0.0072 -0.0638 -0.0301 30DOPE H13R 3806 1.194 5.961 4.794 -1.2951 -0.0963 -2.7449 30DOPE H13S 3807 1.291 5.992 4.640 0.8229 0.7743 -0.0603 30DOPE C214 3808 1.325 6.141 4.776 -0.3760 0.0592 -0.2233 30DOPE H14R 3809 1.326 6.154 4.886 1.1974 -0.2226 -0.1900 30DOPE H14S 3810 1.245 6.209 4.739 1.0146 1.5120 -0.6891 30DOPE C215 3811 1.454 6.196 4.716 -0.0098 -0.2571 0.2621 30DOPE H15R 3812 1.460 6.149 4.615 -2.5286 0.2381 -0.1853 30DOPE H15S 3813 1.539 6.154 4.773 1.1939 2.4227 0.6206 30DOPE C216 3814 1.478 6.348 4.717 0.1860 -0.2855 -0.0373 30DOPE H16R 3815 1.400 6.386 4.648 -1.7921 -0.6137 1.9162 30DOPE H16S 3816 1.580 6.373 4.680 -0.7183 -1.4670 -3.8517 30DOPE C217 3817 1.449 6.421 4.848 -0.2653 -0.6342 0.0604 30DOPE H17R 3818 1.345 6.405 4.884 -0.7785 0.6787 -0.7567 30DOPE H17S 3819 1.455 6.531 4.830 -0.8077 -0.9405 -2.4401 30DOPE C218 3820 1.551 6.388 4.956 0.2220 0.2953 -0.0986 30DOPE H18R 3821 1.556 6.278 4.972 0.3011 0.0966 -1.4397 30DOPE H18S 3822 1.536 6.442 5.052 0.1213 -0.9778 0.6335 30DOPE H18T 3823 1.651 6.421 4.922 0.9998 0.6611 2.3467 30DOPE C33 3824 1.919 5.879 5.537 0.3729 -0.0411 -0.5596 30DOPE H3X 3825 1.865 5.908 5.444 -2.8760 1.5105 1.6247 30DOPE H3Y 3826 1.860 5.807 5.599 0.5120 0.4394 0.1422 30DOPE C34 3827 2.060 5.831 5.501 0.3650 -0.5496 0.0658 30DOPE H4X 3828 2.120 5.780 5.579 3.3863 -0.4883 -2.0340 30DOPE H4Y 3829 2.113 5.923 5.470 -0.0053 0.0332 1.1053 30DOPE C35 3830 2.062 5.741 5.377 -0.2880 0.0559 -0.3928 30DOPE H5X 3831 2.166 5.718 5.346 -1.0180 -1.2908 -1.9916 30DOPE H5Y 3832 2.011 5.791 5.292 0.0674 2.8064 0.8899 30DOPE C36 3833 1.997 5.606 5.408 -0.5218 0.2501 -0.0176 30DOPE H6X 3834 1.888 5.627 5.412 -1.0345 -1.8494 -1.0455 30DOPE H6Y 3835 2.026 5.557 5.503 -0.9643 2.1312 1.1389 30DOPE C37 3836 2.006 5.509 5.290 0.0250 -0.2068 0.3979 30DOPE H7X 3837 2.115 5.498 5.271 0.1852 -1.2408 1.7554 30DOPE H7Y 3838 1.957 5.418 5.332 -3.6544 1.9844 1.2481 30DOPE C38 3839 1.932 5.552 5.163 0.3131 0.2874 0.3970 30DOPE H8X 3840 1.941 5.662 5.147 0.9781 0.4475 1.7307 30DOPE H8Y 3841 1.976 5.484 5.087 0.5375 -0.5908 1.2899 30DOPE C39 3842 1.784 5.529 5.166 0.2871 0.2573 -0.7041 30DOPE H9X 3843 1.756 5.426 5.142 2.0422 -0.3276 -0.3719 30DOPE C310 3844 1.684 5.616 5.189 -0.1397 -0.1845 -0.8713 30DOPE H10X 3845 1.579 5.586 5.189 -1.0016 2.5175 0.6189 30DOPE C311 3846 1.705 5.761 5.221 -0.0638 -0.4142 0.1617 30DOPE H11X 3847 1.751 5.771 5.322 1.0353 1.9254 -0.4826 30DOPE H11Y 3848 1.779 5.806 5.152 0.4347 -0.8057 0.4408 30DOPE C312 3849 1.576 5.844 5.212 0.0735 -0.1393 0.7175 30DOPE H12X 3850 1.508 5.811 5.293 -2.3414 0.1668 -1.1035 30DOPE H12Y 3851 1.518 5.836 5.118 -0.8686 2.0547 1.0549 30DOPE C313 3852 1.607 5.993 5.228 0.1877 -0.0940 0.1183 30DOPE H13X 3853 1.645 6.031 5.131 -0.5751 0.9840 0.2157 30DOPE H13Y 3854 1.689 6.001 5.303 0.2714 -0.3208 0.0494 30DOPE C314 3855 1.492 6.087 5.267 0.3281 0.2466 -0.2855 30DOPE H14X 3856 1.457 6.072 5.371 0.6262 1.3391 -0.0068 30DOPE H14Y 3857 1.531 6.190 5.252 2.5348 -0.5805 -0.6528 30DOPE C315 3858 1.373 6.066 5.174 0.1160 0.6530 -0.1089 30DOPE H15X 3859 1.403 6.082 5.068 2.9657 -1.9920 0.1670 30DOPE H15Y 3860 1.347 5.959 5.188 2.1241 0.2533 1.0200 30DOPE C316 3861 1.250 6.142 5.224 -0.0172 0.2991 0.1042 30DOPE H16X 3862 1.239 6.110 5.330 0.1953 0.6225 0.2257 30DOPE H16Y 3863 1.267 6.252 5.224 1.1610 0.1267 0.0967 30DOPE C317 3864 1.122 6.121 5.143 0.0234 -0.3670 0.2068 30DOPE H17X 3865 1.068 6.218 5.155 0.2807 -0.2733 0.6327 30DOPE H17Y 3866 1.135 6.119 5.033 -1.0426 -1.1561 0.0765 30DOPE C318 3867 1.043 6.000 5.195 0.1521 -0.6514 -0.2548 30DOPE H18X 3868 1.113 5.916 5.213 1.8930 0.3365 -1.9984 30DOPE H18Y 3869 1.003 6.020 5.297 1.2166 -0.6382 0.1714 30DOPE H18Z 3870 0.964 5.966 5.125 2.1766 -2.2136 -1.8972 31DOPE N 3871 1.834 4.482 6.940 0.1276 0.0767 -0.2664 31DOPE HN1 3872 1.860 4.385 6.911 -1.6401 -0.8075 0.9041 31DOPE HN2 3873 1.907 4.549 6.908 -0.3615 0.2232 -1.1164 31DOPE HN3 3874 1.837 4.490 7.043 1.4713 1.8121 -0.3925 31DOPE C12 3875 1.701 4.513 6.877 -0.2836 -0.7645 0.1700 31DOPE H12A 3876 1.668 4.609 6.922 0.4643 -0.4993 0.1619 31DOPE H12B 3877 1.630 4.431 6.901 -2.5097 1.0505 0.1155 31DOPE C11 3878 1.719 4.531 6.726 0.2930 -0.1270 0.3111 31DOPE H11A 3879 1.617 4.556 6.690 0.2629 1.7539 1.5808 31DOPE H11B 3880 1.746 4.433 6.680 -0.1477 -0.8258 1.5006 31DOPE P 3881 1.771 4.762 6.631 -0.0952 -0.3855 0.1009 31DOPE O13 3882 1.888 4.845 6.597 -0.3682 0.1231 0.4009 31DOPE O14 3883 1.677 4.825 6.726 -0.2963 -0.0074 -0.3437 31DOPE O11 3884 1.692 4.717 6.499 0.0021 -0.1088 -0.0517 31DOPE O12 3885 1.823 4.624 6.694 0.3364 -0.3001 -0.0645 31DOPE C1 3886 1.768 4.642 6.403 0.1865 -0.3450 0.2775 31DOPE HA 3887 1.811 4.549 6.447 -0.0475 -0.6141 -0.0559 31DOPE HB 3888 1.845 4.705 6.354 -1.2658 0.1507 -1.4677 31DOPE C2 3889 1.675 4.610 6.285 0.1783 0.3400 0.0959 31DOPE HS 3890 1.649 4.707 6.236 0.2885 -0.6576 -2.0687 31DOPE O21 3891 1.556 4.541 6.325 0.4248 -0.0380 0.1701 31DOPE C21 3892 1.563 4.414 6.367 0.4418 -0.2355 -0.4275 31DOPE O22 3893 1.665 4.358 6.406 0.2763 -0.1140 0.1863 31DOPE C22 3894 1.424 4.354 6.385 -0.1194 1.0120 -0.5369 31DOPE H2R 3895 1.369 4.410 6.464 -1.1315 -1.3307 0.5045 31DOPE H2S 3896 1.437 4.251 6.424 1.4465 0.7664 -1.5841 31DOPE C3 3897 1.746 4.527 6.176 -0.1851 -0.0912 0.1841 31DOPE HX 3898 1.798 4.437 6.213 2.5460 0.7421 -1.3917 31DOPE HY 3899 1.826 4.597 6.143 -2.4306 1.7162 -1.8350 31DOPE O31 3900 1.660 4.485 6.070 0.0495 0.0985 -0.0806 31DOPE C31 3901 1.673 4.552 5.955 1.2112 -0.4110 -0.2608 31DOPE O32 3902 1.736 4.655 5.936 0.2906 0.3006 0.4264 31DOPE C32 3903 1.594 4.472 5.853 -0.3881 -0.0347 0.6489 31DOPE H2X 3904 1.600 4.524 5.755 -1.3225 -0.8517 0.1356 31DOPE H2Y 3905 1.636 4.369 5.844 -1.8031 -0.4813 -1.7722 31DOPE C23 3906 1.347 4.354 6.253 -0.5751 -1.0868 -0.2974 31DOPE H3R 3907 1.399 4.295 6.175 -0.2850 -0.9301 -0.2213 31DOPE H3S 3908 1.342 4.457 6.212 -2.4655 -0.8399 0.4561 31DOPE C24 3909 1.197 4.324 6.261 -0.6754 -0.4716 0.2160 31DOPE H4R 3910 1.152 4.407 6.319 -3.4055 -1.5232 -0.2451 31DOPE H4S 3911 1.171 4.223 6.300 -1.4231 -0.4447 -0.2016 31DOPE C25 3912 1.134 4.347 6.124 0.2210 0.0061 -0.1195 31DOPE H5R 3913 1.133 4.253 6.065 -1.5354 0.1458 -0.3654 31DOPE H5S 3914 1.181 4.428 6.064 -1.3043 1.5241 0.6464 31DOPE C26 3915 0.986 4.380 6.143 0.4026 0.6962 0.1561 31DOPE H6R 3916 0.977 4.482 6.185 1.4667 0.9987 -0.3136 31DOPE H6S 3917 0.940 4.305 6.211 -0.0869 -0.4505 -1.3541 31DOPE C27 3918 0.911 4.357 6.011 -0.4326 -0.4596 0.8103 31DOPE H7R 3919 0.921 4.250 5.983 -0.5525 -0.8040 2.0164 31DOPE H7S 3920 0.967 4.417 5.936 -0.7956 -0.2620 0.6929 31DOPE C28 3921 0.767 4.408 6.019 -0.2154 0.1742 0.7385 31DOPE H8R 3922 0.774 4.513 6.055 0.4745 0.2711 0.3471 31DOPE H8S 3923 0.708 4.336 6.080 -1.8710 0.8506 -0.0122 31DOPE C29 3924 0.702 4.408 5.884 0.0678 -0.0556 0.5992 31DOPE H9R 3925 0.750 4.464 5.803 -0.5508 -1.4698 -0.7892 31DOPE C210 3926 0.594 4.335 5.850 0.0148 0.2906 0.0135 31DOPE H10R 3927 0.569 4.341 5.743 -1.9904 0.2555 0.4342 31DOPE C211 3928 0.503 4.253 5.937 0.2333 0.0650 0.0305 31DOPE H11R 3929 0.399 4.292 5.935 0.4016 0.4997 -0.6944 31DOPE H11S 3930 0.524 4.255 6.046 -2.5100 -0.9065 0.6455 31DOPE C212 3931 0.508 4.107 5.893 0.3310 0.2089 -0.4456 31DOPE H12R 3932 0.464 4.096 5.792 0.3023 0.2982 -0.4426 31DOPE H12S 3933 0.438 4.062 5.966 -0.0669 0.8306 -0.4410 31DOPE C213 3934 0.641 4.032 5.906 0.2389 0.1423 0.1439 31DOPE H13R 3935 0.676 4.024 6.011 1.1819 -0.7702 -0.2205 31DOPE H13S 3936 0.717 4.094 5.854 0.9523 -0.6002 0.2890 31DOPE C214 3937 0.642 3.890 5.848 -0.2368 0.0642 0.3214 31DOPE H14R 3938 0.628 3.903 5.739 -1.3355 0.2311 0.4719 31DOPE H14S 3939 0.551 3.842 5.889 -1.8780 2.7566 0.0637 31DOPE C215 3940 0.768 3.816 5.893 0.0791 0.1882 -0.3502 31DOPE H15R 3941 0.760 3.796 6.002 1.2247 0.1015 -0.2649 31DOPE H15S 3942 0.860 3.874 5.872 0.2476 -0.1395 -0.5322 31DOPE C216 3943 0.789 3.681 5.824 -0.4287 0.0007 -0.1417 31DOPE H16R 3944 0.693 3.626 5.819 -0.9687 1.0534 -2.2560 31DOPE H16S 3945 0.854 3.617 5.888 -2.3150 -1.2168 0.6307 31DOPE C217 3946 0.867 3.693 5.693 -0.3659 -0.0353 -0.1076 31DOPE H17R 3947 0.950 3.760 5.723 -1.4423 0.8687 0.9891 31DOPE H17S 3948 0.795 3.746 5.626 -0.9077 -1.2682 -0.5341 31DOPE C218 3949 0.896 3.556 5.633 -0.4436 -0.1995 0.2287 31DOPE H18R 3950 0.943 3.571 5.534 -2.9081 1.4584 -0.7980 31DOPE H18S 3951 0.802 3.498 5.622 -1.0158 0.8479 -0.5680 31DOPE H18T 3952 0.964 3.496 5.697 0.4084 1.7320 1.2173 31DOPE C33 3953 1.446 4.473 5.893 -0.3086 0.4657 0.9404 31DOPE H3X 3954 1.430 4.387 5.963 1.2909 -0.6454 0.0082 31DOPE H3Y 3955 1.410 4.564 5.945 -0.0698 1.5797 -0.7542 31DOPE C34 3956 1.350 4.453 5.776 0.3684 0.3413 0.3983 31DOPE H4X 3957 1.373 4.536 5.705 -1.0863 -0.3252 -0.8971 31DOPE H4Y 3958 1.249 4.475 5.817 0.3375 -0.6039 0.8390 31DOPE C35 3959 1.366 4.321 5.701 0.0963 0.5679 -0.0668 31DOPE H5X 3960 1.396 4.250 5.782 0.2334 1.0999 0.3549 31DOPE H5Y 3961 1.458 4.320 5.639 1.2047 0.4566 1.4932 31DOPE C36 3962 1.245 4.280 5.617 -0.1155 0.2502 0.3848 31DOPE H6X 3963 1.217 4.358 5.542 -2.5056 -0.1770 0.7493 31DOPE H6Y 3964 1.262 4.180 5.572 -0.6452 0.6299 -0.7146 31DOPE C37 3965 1.120 4.254 5.701 -0.4887 0.2495 -0.1611 31DOPE H7X 3966 1.088 4.339 5.765 2.4691 0.4192 1.3082 31DOPE H7Y 3967 1.150 4.183 5.782 0.4888 0.8538 0.0275 31DOPE C38 3968 0.998 4.199 5.628 -0.5240 0.0837 0.0211 31DOPE H8X 3969 0.928 4.174 5.711 -1.9756 -0.8015 -1.4114 31DOPE H8Y 3970 0.955 4.282 5.568 -0.8248 -0.5608 -0.6695 31DOPE C39 3971 1.021 4.077 5.543 0.1713 0.2445 -0.0264 31DOPE H9X 3972 1.037 3.978 5.589 0.6635 0.1018 -0.5028 31DOPE C310 3973 1.026 4.083 5.410 -0.3582 0.5895 -0.0356 31DOPE H10X 3974 1.029 3.991 5.349 -1.1408 0.8331 -0.4587 31DOPE C311 3975 1.009 4.196 5.312 -0.0396 0.1992 -0.5453 31DOPE H11X 3976 1.015 4.290 5.371 1.0757 0.5899 -1.2451 31DOPE H11Y 3977 0.912 4.194 5.258 -0.8887 1.5629 0.8723 31DOPE C312 3978 1.126 4.202 5.213 0.1129 0.4606 -0.3499 31DOPE H12X 3979 1.223 4.215 5.264 -0.5423 -0.2358 1.1273 31DOPE H12Y 3980 1.114 4.299 5.159 1.8430 2.4244 2.4995 31DOPE C313 3981 1.119 4.090 5.109 0.0925 0.4867 -0.3765 31DOPE H13X 3982 1.124 3.988 5.155 2.3479 0.4854 -0.5290 31DOPE H13Y 3983 1.214 4.090 5.053 0.4949 -1.1951 0.2151 31DOPE C314 3984 0.991 4.092 5.025 -0.1793 0.7430 0.0353 31DOPE H14X 3985 0.995 3.997 4.967 0.5181 1.7142 -1.5957 31DOPE H14Y 3986 0.900 4.086 5.087 -1.5032 -0.4007 -1.8949 31DOPE C315 3987 0.970 4.205 4.924 -0.1748 0.2830 -0.4864 31DOPE H15X 3988 0.958 4.301 4.977 -0.3164 2.3014 -3.8872 31DOPE H15Y 3989 0.871 4.185 4.878 -1.8136 2.0240 2.0509 31DOPE C316 3990 1.088 4.211 4.827 0.1121 0.1720 -0.1469 31DOPE H16X 3991 1.189 4.223 4.872 1.8372 -1.2600 -3.2709 31DOPE H16Y 3992 1.083 4.107 4.786 -2.7561 -0.2156 0.9742 31DOPE C317 3993 1.075 4.318 4.718 0.3745 0.7485 0.3832 31DOPE H17X 3994 0.995 4.286 4.648 0.8590 4.4226 -2.0979 31DOPE H17Y 3995 1.051 4.419 4.756 -0.6572 0.7157 -0.1549 31DOPE C318 3996 1.196 4.346 4.629 0.3046 -0.2911 -0.0661 31DOPE H18X 3997 1.287 4.369 4.690 3.1680 -1.0499 -3.6899 31DOPE H18Y 3998 1.209 4.257 4.564 0.3928 0.1128 -0.6129 31DOPE H18Z 3999 1.162 4.428 4.563 -1.6362 -0.5806 0.5225 32DOPE N 4000 5.369 3.884 6.360 -0.5031 -0.1438 0.4404 32DOPE HN1 4001 5.428 3.951 6.413 0.5459 -1.3136 0.7927 32DOPE HN2 4002 5.434 3.819 6.311 1.5562 2.3220 -0.2542 32DOPE HN3 4003 5.321 3.949 6.294 2.0132 0.7501 -0.6134 32DOPE C12 4004 5.261 3.821 6.446 -0.3041 -0.1194 0.7088 32DOPE H12A 4005 5.224 3.900 6.514 -0.1510 0.4783 0.1137 32DOPE H12B 4006 5.313 3.745 6.508 0.9227 0.6425 0.6437 32DOPE C11 4007 5.150 3.768 6.355 0.0341 -0.3655 0.4337 32DOPE H11A 4008 5.100 3.851 6.300 -1.0308 -1.5333 -0.4181 32DOPE H11B 4009 5.069 3.728 6.419 -1.5658 0.2416 -1.1255 32DOPE P 4010 5.156 3.525 6.300 -0.3237 0.0635 -0.1416 32DOPE O13 4011 5.218 3.480 6.426 -0.4568 0.4579 0.0689 32DOPE O14 4012 5.008 3.512 6.295 -0.2992 -0.1130 -0.4621 32DOPE O11 4013 5.223 3.429 6.191 -0.1569 0.2306 -0.1862 32DOPE O12 4014 5.205 3.673 6.264 -0.0418 0.0038 -0.0017 32DOPE C1 4015 5.362 3.448 6.164 -0.0167 -0.7294 -0.1475 32DOPE HA 4016 5.426 3.410 6.247 1.9619 0.4263 -1.0819 32DOPE HB 4017 5.383 3.555 6.144 -0.3428 -0.7603 -0.6652 32DOPE C2 4018 5.388 3.372 6.033 0.3819 -0.6094 -0.1380 32DOPE HS 4019 5.490 3.405 6.001 0.2192 1.8446 1.5470 32DOPE O21 4020 5.284 3.396 5.938 0.1820 -0.3686 0.1385 32DOPE C21 4021 5.329 3.369 5.815 0.3791 0.0745 0.1116 32DOPE O22 4022 5.444 3.347 5.779 0.3689 0.4390 -0.1384 32DOPE C22 4023 5.208 3.382 5.724 0.3014 0.5585 0.2834 32DOPE H2R 4024 5.128 3.438 5.778 0.1179 0.1148 0.4844 32DOPE H2S 4025 5.169 3.281 5.700 0.2701 0.7474 -0.4667 32DOPE C3 4026 5.382 3.221 6.061 0.0946 -0.4748 0.5417 32DOPE HX 4027 5.277 3.188 6.071 -1.7274 4.6009 0.9867 32DOPE HY 4028 5.435 3.206 6.157 1.3582 0.0271 -0.0500 32DOPE O31 4029 5.440 3.140 5.958 -0.1718 -0.5068 0.4152 32DOPE C31 4030 5.574 3.142 5.959 -0.1692 -0.4005 -0.0068 32DOPE O32 4031 5.642 3.199 6.042 -0.6880 -0.0937 0.2158 32DOPE C32 4032 5.624 3.062 5.839 0.0310 -0.5525 0.1763 32DOPE H2X 4033 5.622 2.952 5.852 1.0381 -0.5918 0.0719 32DOPE H2Y 4034 5.546 3.078 5.761 -0.6310 0.0975 0.9377 32DOPE C23 4035 5.256 3.455 5.599 0.3466 0.3419 0.1747 32DOPE H3R 4036 5.336 3.529 5.619 1.3397 -0.7384 0.3721 32DOPE H3S 4037 5.173 3.513 5.555 0.4425 -0.1268 -0.6637 32DOPE C24 4038 5.300 3.361 5.486 0.0780 0.6243 -0.1676 32DOPE H4R 4039 5.213 3.296 5.464 1.1254 -1.1659 0.7260 32DOPE H4S 4040 5.382 3.299 5.530 0.3606 0.1604 -1.3140 32DOPE C25 4041 5.339 3.432 5.357 0.3061 -0.0886 -0.4971 32DOPE H5R 4042 5.421 3.376 5.306 -1.0958 -1.5929 -1.2051 32DOPE H5S 4043 5.369 3.533 5.391 -0.0182 -0.1505 -0.0168 32DOPE C26 4044 5.221 3.442 5.260 0.0936 0.0040 -0.2296 32DOPE H6R 4045 5.150 3.508 5.315 -0.1343 -0.3812 -0.0609 32DOPE H6S 4046 5.169 3.344 5.254 2.1780 -1.2179 0.6184 32DOPE C27 4047 5.250 3.495 5.119 0.1144 -0.1959 -0.3011 32DOPE H7R 4048 5.155 3.486 5.063 -0.0923 0.1165 -0.0057 32DOPE H7S 4049 5.333 3.436 5.075 2.1644 0.8804 1.8677 32DOPE C28 4050 5.290 3.643 5.120 0.0262 -0.1723 -0.1615 32DOPE H8R 4051 5.376 3.648 5.191 -0.5594 2.8919 0.4517 32DOPE H8S 4052 5.208 3.704 5.163 1.1414 1.9930 -0.9311 32DOPE C29 4053 5.313 3.677 4.976 0.4226 -0.2769 -0.1267 32DOPE H9R 4054 5.411 3.642 4.940 1.1895 -1.3800 2.7550 32DOPE C210 4055 5.223 3.731 4.892 0.0058 -0.6905 0.0460 32DOPE H10R 4056 5.236 3.746 4.784 -0.0206 -1.7329 -0.1045 32DOPE C211 4057 5.086 3.773 4.937 0.2148 -0.2432 0.2791 32DOPE H11R 4058 5.098 3.868 4.993 -1.1352 0.8337 -1.1778 32DOPE H11S 4059 5.034 3.692 4.993 -0.1315 -0.4932 -0.3833 32DOPE C212 4060 5.011 3.825 4.814 0.4924 -0.0217 0.2021 32DOPE H12R 4061 5.091 3.890 4.773 -0.4507 0.5982 -0.7103 32DOPE H12S 4062 4.921 3.881 4.846 -0.3823 -1.2270 -0.0649 32DOPE C213 4063 4.990 3.722 4.702 -0.0177 0.3806 -0.0772 32DOPE H13R 4064 4.987 3.620 4.746 0.8052 0.3311 -0.1242 32DOPE H13S 4065 5.080 3.736 4.639 -0.8802 2.0909 -0.9979 32DOPE C214 4066 4.855 3.733 4.631 -0.1369 -0.4393 0.0154 32DOPE H14R 4067 4.847 3.834 4.587 -1.0566 -1.1924 -1.6457 32DOPE H14S 4068 4.775 3.709 4.703 -0.0292 -0.5690 0.0929 32DOPE C215 4069 4.840 3.638 4.511 -0.0377 -0.1824 -0.2011 32DOPE H15R 4070 4.938 3.638 4.459 -0.4526 -2.6894 -1.1039 32DOPE H15S 4071 4.758 3.676 4.446 2.0279 0.8354 -2.3723 32DOPE C216 4072 4.812 3.492 4.546 0.1545 -0.1552 0.0731 32DOPE H16R 4073 4.712 3.497 4.593 -0.3164 3.4903 -1.0200 32DOPE H16S 4074 4.887 3.449 4.615 -0.8811 -1.5499 0.3701 32DOPE C217 4075 4.789 3.407 4.421 -0.3850 0.1556 -0.0409 32DOPE H17R 4076 4.885 3.426 4.368 0.6135 0.4236 1.8145 32DOPE H17S 4077 4.703 3.451 4.366 0.8324 1.8548 -0.6584 32DOPE C218 4078 4.774 3.260 4.460 0.1802 0.1787 0.2712 32DOPE H18R 4079 4.860 3.225 4.520 2.0789 -0.5873 -2.6629 32DOPE H18S 4080 4.770 3.203 4.364 -1.3958 -1.5451 1.3084 32DOPE H18T 4081 4.679 3.256 4.516 0.2296 2.1897 0.5719 32DOPE C33 4082 5.766 3.111 5.809 -0.1067 -0.0727 0.2943 32DOPE H3X 4083 5.770 3.219 5.785 0.8572 0.1852 1.4957 32DOPE H3Y 4084 5.840 3.091 5.890 0.6936 -2.0635 -0.8684 32DOPE C34 4085 5.807 3.023 5.691 0.1559 0.2252 0.1637 32DOPE H4X 4086 5.911 3.056 5.669 -0.4067 0.4670 -2.5317 32DOPE H4Y 4087 5.815 2.918 5.725 -0.3625 0.3862 0.8068 32DOPE C35 4088 5.727 3.038 5.562 0.3784 0.5289 0.0603 32DOPE H5X 4089 5.741 3.145 5.536 -0.6050 0.7078 0.2410 32DOPE H5Y 4090 5.619 3.018 5.575 0.5386 0.0336 0.6545 32DOPE C36 4091 5.783 2.937 5.462 0.3019 0.5920 -0.0480 32DOPE H6X 4092 5.886 2.976 5.445 1.5647 -2.4184 -0.0395 32DOPE H6Y 4093 5.796 2.841 5.516 -0.4753 -1.1759 -2.7962 32DOPE C37 4094 5.700 2.924 5.334 -0.0257 -0.2175 0.2437 32DOPE H7X 4095 5.594 2.890 5.342 -0.8337 2.1454 0.4019 32DOPE H7Y 4096 5.690 3.026 5.292 -1.0239 -0.5412 -0.3418 32DOPE C38 4097 5.770 2.836 5.231 0.1236 -0.1260 0.2664 32DOPE H8X 4098 5.859 2.894 5.198 1.3477 -1.3509 1.2968 32DOPE H8Y 4099 5.806 2.748 5.287 2.1523 1.7505 2.0555 32DOPE C39 4100 5.683 2.802 5.112 -0.0950 -0.0229 0.3968 32DOPE H9X 4101 5.576 2.803 5.135 -0.0287 -1.3822 0.8748 32DOPE C310 4102 5.732 2.775 4.991 -0.0896 1.0058 0.1595 32DOPE H10X 4103 5.657 2.748 4.915 -1.7203 1.9993 1.3446 32DOPE C311 4104 5.878 2.761 4.959 -0.2025 0.3949 -0.1271 32DOPE H11X 4105 5.932 2.759 5.057 -0.1057 -0.2210 -0.1894 32DOPE H11Y 4106 5.890 2.657 4.922 3.1634 0.1928 1.1392 32DOPE C312 4107 5.930 2.865 4.859 -0.9143 0.2489 -0.6531 32DOPE H12X 4108 5.852 2.868 4.781 -3.8317 0.7838 2.0600 32DOPE H12Y 4109 6.034 2.849 4.824 -0.7688 2.8157 -1.6367 32DOPE C313 4110 5.952 3.003 4.923 0.3549 -0.1467 -0.2155 32DOPE H13X 4111 5.907 2.995 5.024 -3.2561 0.0633 -1.6802 32DOPE H13Y 4112 6.059 3.032 4.924 -0.1041 1.8624 -2.1319 32DOPE C314 4113 5.876 3.120 4.861 -0.1395 -0.0830 0.4945 32DOPE H14X 4114 5.899 3.204 4.930 2.3848 -2.0119 2.1854 32DOPE H14Y 4115 5.910 3.135 4.756 0.7310 -0.5931 0.6902 32DOPE C315 4116 5.725 3.097 4.868 -0.2738 0.4682 -0.3713 32DOPE H15X 4117 5.705 3.048 4.965 -1.2578 0.1367 -0.7297 32DOPE H15Y 4118 5.697 3.023 4.790 3.2743 -0.0146 -1.4007 32DOPE C316 4119 5.641 3.223 4.851 -0.2228 0.4782 -0.5564 32DOPE H16X 4120 5.537 3.185 4.869 -0.6800 1.4266 -1.1252 32DOPE H16Y 4121 5.640 3.253 4.744 0.5559 -0.9557 -0.9865 32DOPE C317 4122 5.666 3.344 4.941 0.1270 -0.1718 0.2406 32DOPE H17X 4123 5.598 3.424 4.902 1.7720 0.2378 -1.9835 32DOPE H17Y 4124 5.772 3.376 4.933 0.4314 -0.8836 1.2696 32DOPE C318 4125 5.633 3.302 5.084 0.0514 0.6042 0.4580 32DOPE H18X 4126 5.629 3.387 5.155 -1.1858 1.5434 -0.6597 32DOPE H18Y 4127 5.537 3.246 5.094 -0.6383 2.0574 2.7913 32DOPE H18Z 4128 5.718 3.238 5.116 -1.1321 -0.8172 0.9174 33DOPE N 4129 2.663 5.329 6.745 0.0853 0.6960 0.0091 33DOPE HN1 4130 2.592 5.266 6.703 0.1797 -0.7898 1.9020 33DOPE HN2 4131 2.715 5.269 6.813 -1.7229 -0.7484 0.2041 33DOPE HN3 4132 2.617 5.396 6.809 2.0027 1.4860 0.6283 33DOPE C12 4133 2.760 5.383 6.643 0.2559 -0.6465 -0.5575 33DOPE H12A 4134 2.794 5.300 6.577 3.6490 0.3518 -0.2948 33DOPE H12B 4135 2.846 5.421 6.701 -1.0011 -0.8700 1.5324 33DOPE C11 4136 2.689 5.481 6.550 0.0173 0.1785 0.4754 33DOPE H11A 4137 2.764 5.512 6.474 -1.2480 -1.9073 -1.7855 33DOPE H11B 4138 2.649 5.569 6.604 1.8599 0.5936 1.2426 33DOPE P 4139 2.452 5.481 6.450 -0.1527 0.1498 -0.2531 33DOPE O13 4140 2.398 5.523 6.581 -0.5257 -0.3494 -0.2413 33DOPE O14 4141 2.363 5.388 6.376 0.1405 -0.4257 0.1085 33DOPE O11 4142 2.478 5.607 6.355 -0.1546 0.4740 0.1747 33DOPE O12 4143 2.596 5.413 6.465 -0.1323 0.3543 0.4974 33DOPE C1 4144 2.372 5.661 6.277 -0.0643 0.5439 0.0992 33DOPE HA 4145 2.387 5.771 6.281 -0.2004 0.5704 -0.0898 33DOPE HB 4146 2.269 5.639 6.313 0.2582 -2.4766 -0.5924 33DOPE C2 4147 2.387 5.616 6.131 -0.2679 -0.0839 0.2678 33DOPE HS 4148 2.363 5.507 6.132 -0.7387 -0.0129 -0.8141 33DOPE O21 4149 2.520 5.620 6.080 -0.1412 0.3381 0.6333 33DOPE C21 4150 2.562 5.737 6.032 0.1269 0.0448 0.1474 33DOPE O22 4151 2.517 5.848 6.055 0.6201 0.2450 0.1473 33DOPE C22 4152 2.701 5.723 5.972 0.0233 0.3352 -0.1693 33DOPE H2R 4153 2.750 5.629 6.007 -0.8683 0.2767 0.9734 33DOPE H2S 4154 2.756 5.808 6.019 -1.1881 1.2016 -0.2818 33DOPE C3 4155 2.288 5.673 6.028 0.4582 0.4380 -0.1463 33DOPE HX 4156 2.278 5.783 6.041 1.6598 0.5287 0.1488 33DOPE HY 4157 2.184 5.641 6.048 0.0914 2.3702 1.3035 33DOPE O31 4158 2.330 5.636 5.896 -0.3092 -0.0348 -0.2660 33DOPE C31 4159 2.277 5.712 5.800 -0.3853 -0.0194 -0.2132 33DOPE O32 4160 2.187 5.793 5.810 -0.0646 0.2439 0.6124 33DOPE C32 4161 2.346 5.686 5.667 -0.1856 0.8368 -0.2880 33DOPE H2X 4162 2.417 5.601 5.680 -2.9550 -1.7275 -0.7314 33DOPE H2Y 4163 2.281 5.648 5.584 0.8374 -1.4770 -0.1113 33DOPE C23 4164 2.708 5.745 5.821 -0.0208 -0.3686 -0.2776 33DOPE H3R 4165 2.664 5.842 5.788 2.1726 0.2772 -1.4796 33DOPE H3S 4166 2.648 5.662 5.777 1.7020 -1.7241 -0.1492 33DOPE C24 4167 2.849 5.763 5.766 -0.1000 0.1542 -0.3164 33DOPE H4R 4168 2.910 5.673 5.792 -0.1450 -0.2190 -1.4631 33DOPE H4S 4169 2.905 5.845 5.817 0.6275 0.3931 -1.4633 33DOPE C25 4170 2.836 5.793 5.617 0.0839 -0.0458 -0.3737 33DOPE H5R 4171 2.785 5.892 5.612 3.6521 1.9312 -1.4161 33DOPE H5S 4172 2.786 5.712 5.560 -0.9664 0.7149 -0.5656 33DOPE C26 4173 2.971 5.821 5.551 0.1759 -0.3406 -0.3137 33DOPE H6R 4174 3.025 5.728 5.577 -0.6181 -0.3922 1.2400 33DOPE H6S 4175 3.015 5.914 5.594 -0.2360 -0.9621 1.5256 33DOPE C27 4176 2.962 5.844 5.400 0.1433 0.1700 -0.2375 33DOPE H7R 4177 2.925 5.942 5.364 1.3561 0.7044 -0.0773 33DOPE H7S 4178 2.902 5.761 5.355 3.7998 -3.8947 1.6313 33DOPE C28 4179 3.099 5.832 5.333 0.0642 -0.6549 -0.2684 33DOPE H8R 4180 3.082 5.839 5.223 2.3422 -1.5673 -0.7328 33DOPE H8S 4181 3.153 5.738 5.356 0.6631 -0.1718 0.3582 33DOPE C29 4182 3.183 5.949 5.378 -0.1000 -0.4823 -0.4105 33DOPE H9R 4183 3.199 5.959 5.486 -0.2132 1.1766 -0.5234 33DOPE C210 4184 3.258 6.036 5.309 -0.8061 0.4715 -0.0063 33DOPE H10R 4185 3.309 6.120 5.359 -0.4208 0.7670 -0.8749 33DOPE C211 4186 3.279 6.035 5.161 -0.2144 -0.2425 0.0740 33DOPE H11R 4187 3.306 6.138 5.128 3.7901 -1.0441 0.3196 33DOPE H11S 4188 3.190 6.017 5.097 0.3429 2.0769 -1.5005 33DOPE C212 4189 3.396 5.944 5.122 0.0746 0.1239 0.0631 33DOPE H12R 4190 3.382 5.838 5.153 0.6314 -1.0723 -3.2827 33DOPE H12S 4191 3.476 5.973 5.192 -0.6992 0.7969 0.6920 33DOPE C213 4192 3.439 5.945 4.975 0.4066 0.2163 0.1618 33DOPE H13R 4193 3.356 5.893 4.924 1.1479 -0.4565 -0.3955 33DOPE H13S 4194 3.528 5.879 4.967 0.4744 0.3110 0.1323 33DOPE C214 4195 3.469 6.080 4.910 0.2724 0.2866 0.2411 33DOPE H14R 4196 3.569 6.117 4.941 -0.4378 0.3657 2.7188 33DOPE H14S 4197 3.392 6.157 4.933 0.6700 0.9136 -0.4737 33DOPE C215 4198 3.479 6.073 4.758 0.5839 -0.3472 0.2862 33DOPE H15R 4199 3.378 6.049 4.719 0.2807 2.3930 -0.8758 33DOPE H15S 4200 3.546 5.988 4.735 0.3262 -0.9551 1.6869 33DOPE C216 4201 3.545 6.189 4.683 -0.0109 -0.3506 -0.2510 33DOPE H16R 4202 3.655 6.186 4.698 -0.2529 0.4498 1.9554 33DOPE H16S 4203 3.516 6.281 4.738 -1.5859 0.1607 -1.8186 33DOPE C217 4204 3.503 6.198 4.536 -0.1874 0.3222 -0.1598 33DOPE H17R 4205 3.392 6.199 4.534 -0.2096 2.0225 0.3455 33DOPE H17S 4206 3.539 6.103 4.493 0.9671 1.9527 -3.1152 33DOPE C218 4207 3.569 6.313 4.459 0.6906 0.0003 0.1066 33DOPE H18R 4208 3.567 6.402 4.524 -0.3043 -0.5175 0.8062 33DOPE H18S 4209 3.511 6.327 4.365 -0.4059 1.9434 1.0168 33DOPE H18T 4210 3.674 6.278 4.443 0.7862 0.3612 -0.0689 33DOPE C33 4211 2.410 5.808 5.602 -0.0729 0.8415 -0.1684 33DOPE H3X 4212 2.475 5.867 5.671 0.2441 -1.1298 1.3032 33DOPE H3Y 4213 2.326 5.874 5.570 -1.2363 -0.3515 0.3390 33DOPE C34 4214 2.477 5.767 5.471 -0.2406 0.1857 -0.0504 33DOPE H4X 4215 2.568 5.706 5.489 0.1751 0.3115 -1.5747 33DOPE H4Y 4216 2.407 5.702 5.415 1.9961 -2.5232 0.0821 33DOPE C35 4217 2.506 5.883 5.376 0.8787 0.4009 0.5384 33DOPE H5X 4218 2.569 5.963 5.421 0.0546 0.9547 0.7200 33DOPE H5Y 4219 2.403 5.920 5.355 1.3646 1.9742 0.7943 33DOPE C36 4220 2.559 5.863 5.234 0.0682 0.5520 0.2097 33DOPE H6X 4221 2.668 5.842 5.243 0.4604 2.7991 1.4213 33DOPE H6Y 4222 2.507 5.774 5.195 -1.8165 1.4672 0.5207 33DOPE C37 4223 2.551 5.981 5.136 0.0442 0.1894 -0.2300 33DOPE H7X 4224 2.441 5.992 5.129 -0.0775 -0.6975 0.2019 33DOPE H7Y 4225 2.598 6.076 5.169 2.3849 -1.2860 0.9592 33DOPE C38 4226 2.614 5.951 5.000 -0.9751 -0.4067 -0.5848 33DOPE H8X 4227 2.724 5.938 5.007 -0.7892 0.9929 -0.6204 33DOPE H8Y 4228 2.573 5.859 4.953 0.9897 -1.3154 -0.6229 33DOPE C39 4229 2.594 6.063 4.902 -0.6069 0.3327 0.1664 33DOPE H9X 4230 2.568 6.158 4.950 -0.3426 0.2939 0.3886 33DOPE C310 4231 2.600 6.047 4.769 0.0088 -0.0873 0.2384 33DOPE H10X 4232 2.583 6.134 4.703 0.6141 0.8447 1.2784 33DOPE C311 4233 2.616 5.916 4.697 0.7256 0.2642 -0.2590 33DOPE H11X 4234 2.697 5.858 4.746 -0.2339 -0.0134 1.0397 33DOPE H11Y 4235 2.524 5.858 4.718 0.7486 0.7880 1.4848 33DOPE C312 4236 2.630 5.934 4.545 0.2064 -0.0456 -0.3423 33DOPE H12X 4237 2.671 6.036 4.530 -0.6725 0.3378 -0.2257 33DOPE H12Y 4238 2.527 5.928 4.503 -0.5765 -0.0404 1.4440 33DOPE C313 4239 2.720 5.827 4.484 0.0911 -0.2953 -0.0790 33DOPE H13X 4240 2.735 5.861 4.380 1.3983 1.1811 0.5495 33DOPE H13Y 4241 2.823 5.835 4.527 0.1039 -0.3253 -0.1039 33DOPE C314 4242 2.662 5.685 4.489 -0.2283 -0.1916 -0.7918 33DOPE H14X 4243 2.613 5.659 4.586 -1.1662 2.8518 -0.3241 33DOPE H14Y 4244 2.584 5.667 4.411 -0.8324 0.5348 -0.3773 33DOPE C315 4245 2.775 5.587 4.460 0.2296 0.0762 0.0379 33DOPE H15X 4246 2.727 5.506 4.400 -0.5699 0.8232 -0.3665 33DOPE H15Y 4247 2.846 5.631 4.387 0.0230 -0.3398 -0.4253 33DOPE C316 4248 2.851 5.545 4.585 0.0942 0.4582 0.2504 33DOPE H16X 4249 2.905 5.633 4.625 1.2173 -0.2919 0.4499 33DOPE H16Y 4250 2.777 5.511 4.661 0.1669 -0.2709 0.0106 33DOPE C317 4251 2.956 5.439 4.549 -0.0955 0.4569 -0.3081 33DOPE H17X 4252 3.014 5.478 4.463 1.9848 0.4257 1.0179 33DOPE H17Y 4253 2.908 5.341 4.530 1.3985 -0.1297 -1.2267 33DOPE C318 4254 3.065 5.415 4.654 -0.1226 -0.2206 -0.4353 33DOPE H18X 4255 3.110 5.516 4.655 -0.4991 -0.0162 -1.9212 33DOPE H18Y 4256 3.030 5.375 4.752 2.3948 -0.5074 0.4086 33DOPE H18Z 4257 3.144 5.348 4.615 1.8845 1.8017 -0.0151 34DOPE N 4258 3.461 2.390 6.750 -0.3185 -0.2764 -0.4287 34DOPE HN1 4259 3.358 2.376 6.745 -0.6967 2.1316 -0.4190 34DOPE HN2 4260 3.500 2.303 6.791 -1.8319 -0.8850 -0.2009 34DOPE HN3 4261 3.483 2.466 6.817 -0.7850 0.7255 -1.3866 34DOPE C12 4262 3.507 2.447 6.618 0.3174 1.2428 0.4216 34DOPE H12A 4263 3.444 2.537 6.604 1.4246 2.0624 0.5938 34DOPE H12B 4264 3.486 2.368 6.542 1.0559 0.6913 0.7759 34DOPE C11 4265 3.649 2.503 6.619 0.6938 0.3087 0.4606 34DOPE H11A 4266 3.653 2.577 6.537 -0.7879 -0.7164 -0.5743 34DOPE H11B 4267 3.712 2.413 6.600 0.3033 -0.0568 0.8908 34DOPE P 4268 3.811 2.639 6.742 0.0493 0.2804 -0.4473 34DOPE O13 4269 3.808 2.735 6.854 -0.3680 -0.1107 -0.1223 34DOPE O14 4270 3.935 2.561 6.716 -0.1705 -0.0084 -0.6396 34DOPE O11 4271 3.787 2.728 6.611 -0.2194 0.5526 -0.2134 34DOPE O12 4272 3.679 2.549 6.751 0.2971 0.0149 0.6554 34DOPE C1 4273 3.896 2.808 6.565 -0.0658 0.5118 0.0755 34DOPE HA 4274 3.986 2.743 6.559 -0.0253 0.6472 -1.0342 34DOPE HB 4275 3.906 2.889 6.641 0.0031 -1.2987 2.0936 34DOPE C2 4276 3.860 2.875 6.432 0.2518 0.3484 -0.0945 34DOPE HS 4277 3.817 2.974 6.460 0.8187 0.2414 1.2076 34DOPE O21 4278 3.774 2.789 6.356 0.2899 0.3875 -0.1818 34DOPE C21 4279 3.690 2.864 6.285 0.4989 0.4465 -0.3703 34DOPE O22 4280 3.685 2.986 6.281 0.2007 0.4431 -0.1405 34DOPE C22 4281 3.579 2.777 6.227 0.1918 0.5568 0.0449 34DOPE H2R 4282 3.497 2.761 6.300 -0.6875 0.2470 -0.9762 34DOPE H2S 4283 3.626 2.682 6.194 0.7061 1.5349 -2.2868 34DOPE C3 4284 3.987 2.904 6.350 0.2852 -0.4294 -0.3231 34DOPE HX 4285 4.039 2.806 6.340 -0.4562 -0.7910 -0.6757 34DOPE HY 4286 4.060 2.966 6.407 0.9607 -2.2825 0.9535 34DOPE O31 4287 3.964 2.959 6.220 -0.0858 -0.1160 -0.1265 34DOPE C31 4288 3.976 3.092 6.217 -0.4731 -0.0689 0.2623 34DOPE O32 4289 3.997 3.161 6.315 -0.5737 0.0945 0.1686 34DOPE C32 4290 3.932 3.134 6.078 0.1330 -0.2189 0.0206 34DOPE H2X 4291 4.021 3.118 6.014 -0.6089 -1.9453 -0.6517 34DOPE H2Y 4292 3.834 3.085 6.059 -0.0269 -0.7512 2.0480 34DOPE C23 4293 3.517 2.847 6.106 -0.1050 0.1117 -0.0588 34DOPE H3R 4294 3.481 2.947 6.136 -0.0997 1.1563 -3.1212 34DOPE H3S 4295 3.418 2.801 6.083 -0.3305 0.0776 0.9528 34DOPE C24 4296 3.602 2.843 5.978 0.0087 -0.5098 0.0309 34DOPE H4R 4297 3.571 2.755 5.918 1.0473 -0.9806 0.1640 34DOPE H4S 4298 3.712 2.846 5.994 -0.0230 0.1358 0.1786 34DOPE C25 4299 3.573 2.968 5.895 -0.2221 -0.5284 0.0824 34DOPE H5R 4300 3.572 3.064 5.950 -0.3018 0.5790 -1.7661 34DOPE H5S 4301 3.465 2.955 5.870 -0.7381 0.1403 1.7811 34DOPE C26 4302 3.665 2.981 5.773 -0.2128 0.1533 0.1577 34DOPE H6R 4303 3.692 2.884 5.725 -3.5643 0.3803 -2.5688 34DOPE H6S 4304 3.755 3.019 5.825 -0.2569 -0.6431 0.8421 34DOPE C27 4305 3.604 3.071 5.666 0.0997 -0.0242 -0.1726 34DOPE H7R 4306 3.554 3.156 5.719 -2.2804 -0.4949 -1.5476 34DOPE H7S 4307 3.525 3.010 5.617 0.4292 -1.1982 0.7050 34DOPE C28 4308 3.700 3.116 5.556 0.3405 -0.5360 -0.1718 34DOPE H8R 4309 3.630 3.175 5.494 -2.5965 -1.5427 1.9665 34DOPE H8S 4310 3.740 3.032 5.496 0.0188 -0.6988 -0.1574 34DOPE C29 4311 3.803 3.214 5.607 -0.2848 0.0702 -0.0575 34DOPE H9R 4312 3.756 3.303 5.650 0.6105 0.0555 1.0015 34DOPE C210 4313 3.936 3.201 5.607 -0.2617 0.3124 0.0535 34DOPE H10R 4314 4.000 3.280 5.650 0.7873 -0.1920 -0.5325 34DOPE C211 4315 4.017 3.094 5.540 0.0535 0.2367 0.5477 34DOPE H11R 4316 4.121 3.126 5.519 0.7327 -2.6464 -1.0819 34DOPE H11S 4317 3.979 3.063 5.440 0.4487 -1.6860 0.9541 34DOPE C212 4318 4.027 2.968 5.627 -0.3215 0.1363 0.4469 34DOPE H12R 4319 4.079 2.891 5.566 2.2498 1.1981 1.1670 34DOPE H12S 4320 3.926 2.926 5.646 0.7939 -3.3411 -0.5648 34DOPE C213 4321 4.102 2.987 5.759 -0.0438 -0.3239 0.3571 34DOPE H13R 4322 4.061 3.062 5.830 2.4400 0.9383 0.5320 34DOPE H13S 4323 4.202 3.027 5.734 0.5983 -1.1952 1.4347 34DOPE C214 4324 4.121 2.853 5.831 0.6457 -0.3378 0.1542 34DOPE H14R 4325 4.190 2.875 5.914 0.2072 -0.5708 0.5866 34DOPE H14S 4326 4.168 2.785 5.757 0.9052 1.8942 -1.8731 34DOPE C215 4327 3.993 2.788 5.885 0.0975 0.0427 -0.6690 34DOPE H15R 4328 3.936 2.729 5.810 0.2253 -1.5031 0.4054 34DOPE H15S 4329 3.924 2.862 5.931 0.2671 -0.6410 0.7301 34DOPE C216 4330 4.029 2.683 5.990 -0.3126 0.2669 -0.3009 34DOPE H16R 4331 4.064 2.729 6.085 -0.5188 2.3721 -1.1771 34DOPE H16S 4332 4.106 2.611 5.956 0.3512 0.4031 0.8611 34DOPE C217 4333 3.907 2.602 6.034 -0.1672 0.0481 -0.3006 34DOPE H17R 4334 3.863 2.557 5.943 0.6390 -1.6875 0.1228 34DOPE H17S 4335 3.831 2.665 6.085 -0.2930 0.0174 -0.4498 34DOPE C218 4336 3.939 2.486 6.128 0.3635 0.4816 0.0601 34DOPE H18R 4337 3.985 2.395 6.084 1.5358 0.2110 1.7326 34DOPE H18S 4338 3.844 2.453 6.175 -0.6741 0.1677 -2.1649 34DOPE H18T 4339 4.015 2.513 6.206 0.9662 -1.4661 0.1968 34DOPE C33 4340 3.905 3.285 6.073 0.1582 -0.2227 -0.2615 34DOPE H3X 4341 3.975 3.337 6.142 -1.1783 0.0585 0.9061 34DOPE H3Y 4342 3.802 3.310 6.104 -0.3252 -1.8176 -0.4941 34DOPE C34 4343 3.930 3.346 5.935 0.1943 0.1203 -0.1038 34DOPE H4X 4344 4.034 3.337 5.897 -0.5970 -0.4894 -2.2772 34DOPE H4Y 4345 3.867 3.290 5.862 -0.9541 1.2561 -0.0301 34DOPE C35 4346 3.888 3.494 5.931 0.1425 0.1186 0.3775 34DOPE H5X 4347 3.798 3.500 5.996 0.7788 1.3209 1.1784 34DOPE H5Y 4348 3.967 3.550 5.984 -0.0163 0.5601 0.1513 34DOPE C36 4349 3.865 3.541 5.788 0.0835 0.2162 0.4186 34DOPE H6X 4350 3.938 3.503 5.713 0.7394 -0.3574 1.3300 34DOPE H6Y 4351 3.764 3.504 5.760 0.4709 -1.5583 1.2458 34DOPE C37 4352 3.862 3.693 5.768 -0.1941 0.1154 -0.3564 34DOPE H7X 4353 3.959 3.721 5.815 0.7189 -2.6981 -0.3200 34DOPE H7Y 4354 3.869 3.720 5.660 0.5556 1.5889 0.0363 34DOPE C38 4355 3.750 3.777 5.830 0.0184 0.3741 -0.3212 34DOPE H8X 4356 3.648 3.748 5.797 -0.2715 0.6007 0.3724 34DOPE H8Y 4357 3.753 3.767 5.940 0.5558 -1.5769 -0.4609 34DOPE C39 4358 3.776 3.919 5.789 -0.0463 0.5660 0.2971 34DOPE H9X 4359 3.838 3.980 5.855 0.8440 1.1052 -1.0016 34DOPE C310 4360 3.731 3.977 5.677 0.3496 -0.0380 -0.1806 34DOPE H10X 4361 3.748 4.084 5.662 1.1304 -0.2084 -0.5421 34DOPE C311 4362 3.640 3.914 5.574 -0.0851 0.7376 -0.2786 34DOPE H11X 4363 3.538 3.957 5.580 -0.3343 0.0128 1.0690 34DOPE H11Y 4364 3.646 3.805 5.592 0.7070 0.6837 -0.8086 34DOPE C312 4365 3.689 3.942 5.432 -0.0071 0.3434 -0.3293 34DOPE H12X 4366 3.791 3.899 5.424 -0.1357 -0.3493 1.4421 34DOPE H12Y 4367 3.681 4.049 5.405 0.2597 0.3463 -0.4002 34DOPE C313 4368 3.605 3.864 5.330 -0.0106 0.0457 -0.1000 34DOPE H13X 4369 3.501 3.903 5.328 0.4226 1.2292 -2.0963 34DOPE H13Y 4370 3.591 3.760 5.365 0.5252 0.1692 0.4867 34DOPE C314 4371 3.666 3.859 5.190 -0.1386 0.3928 -0.1715 34DOPE H14X 4372 3.758 3.796 5.186 -0.5011 -0.0602 -2.6254 34DOPE H14Y 4373 3.706 3.960 5.167 0.6905 0.2869 0.7345 34DOPE C315 4374 3.566 3.825 5.080 -0.4345 0.5283 0.0538 34DOPE H15X 4375 3.614 3.852 4.983 0.7506 -1.5844 -0.0201 34DOPE H15Y 4376 3.479 3.892 5.094 0.7055 1.8652 0.9869 34DOPE C316 4377 3.513 3.681 5.074 -0.6713 0.6292 -0.2957 34DOPE H16X 4378 3.598 3.610 5.072 -1.2738 -0.0933 -0.9961 34DOPE H16Y 4379 3.451 3.655 5.162 -1.2399 1.1902 -0.5233 34DOPE C317 4380 3.437 3.656 4.943 0.0890 -0.4355 -0.5475 34DOPE H17X 4381 3.519 3.643 4.870 0.7557 2.2297 -0.3786 34DOPE H17Y 4382 3.373 3.744 4.922 -1.1290 -1.3228 -0.6413 34DOPE C318 4383 3.340 3.539 4.933 -0.2515 -0.1535 -0.5598 34DOPE H18X 4384 3.325 3.519 4.825 3.1946 -1.4860 -0.9052 34DOPE H18Y 4385 3.383 3.446 4.976 -1.7664 -0.6635 -0.0663 34DOPE H18Z 4386 3.236 3.560 4.968 -0.8548 -1.5823 -1.4042 35DOPE N 4387 0.781 4.046 7.010 -0.4288 -0.2408 0.2717 35DOPE HN1 4388 0.718 4.095 7.076 -1.2986 0.0778 -0.7607 35DOPE HN2 4389 0.828 3.968 7.059 -0.9932 -1.0029 -0.3662 35DOPE HN3 4390 0.857 4.107 6.974 -0.4334 -1.0194 -1.1587 35DOPE C12 4391 0.707 3.986 6.893 0.1681 -0.0018 -0.2363 35DOPE H12A 4392 0.623 4.054 6.866 -0.0596 -0.1703 0.0440 35DOPE H12B 4393 0.655 3.897 6.934 -2.1623 1.0252 -0.7848 35DOPE C11 4394 0.793 3.955 6.770 0.0179 -0.1474 -0.3055 35DOPE H11A 4395 0.845 4.046 6.733 0.4466 -0.5904 -0.8004 35DOPE H11B 4396 0.724 3.916 6.693 -1.9062 -0.1949 1.3575 35DOPE P 4397 1.014 3.841 6.696 -0.1101 -0.3136 -0.0903 35DOPE O13 4398 1.050 3.697 6.694 0.1748 -0.2466 0.0841 35DOPE O14 4399 1.123 3.932 6.739 -0.2520 -0.2708 0.1778 35DOPE O11 4400 0.948 3.881 6.556 0.1495 -0.2076 -0.1833 35DOPE O12 4401 0.896 3.860 6.801 0.1666 0.1567 0.1389 35DOPE C1 4402 0.863 3.787 6.491 -0.2061 -0.2247 0.3043 35DOPE HA 4403 0.778 3.845 6.448 -1.8918 -2.4207 0.4988 35DOPE HB 4404 0.813 3.712 6.557 1.4206 -1.1025 0.5843 35DOPE C2 4405 0.928 3.710 6.375 -0.0310 0.5431 -0.1153 35DOPE HS 4406 0.991 3.631 6.421 -0.5138 -0.4762 -1.1345 35DOPE O21 4407 1.024 3.785 6.300 -0.1391 0.2902 -0.5110 35DOPE C21 4408 0.970 3.880 6.223 0.1379 0.4582 -0.4966 35DOPE O22 4409 0.852 3.908 6.221 0.0591 0.1877 0.1307 35DOPE C22 4410 1.079 3.960 6.152 0.0871 0.4862 -0.5425 35DOPE H2R 4411 1.172 3.967 6.211 2.0653 1.6462 -3.5557 35DOPE H2S 4412 1.052 4.065 6.125 0.9680 1.0825 0.8286 35DOPE C3 4413 0.830 3.627 6.289 0.4572 0.0523 -0.2040 35DOPE HX 4414 0.746 3.691 6.255 0.5700 -0.5476 -1.6883 35DOPE HY 4415 0.788 3.536 6.338 0.3657 -1.1399 -2.3771 35DOPE O31 4416 0.895 3.574 6.173 -0.1518 -0.5903 -0.2562 35DOPE C31 4417 0.964 3.460 6.181 0.0196 -0.4809 -0.1852 35DOPE O32 4418 0.969 3.386 6.278 0.1693 -0.0003 0.1838 35DOPE C32 4419 1.023 3.437 6.043 -0.1196 0.2815 -0.3766 35DOPE H2X 4420 0.960 3.375 5.975 1.7181 -2.2275 0.0597 35DOPE H2Y 4421 1.032 3.528 5.980 -2.5382 0.2017 -0.9676 35DOPE C23 4422 1.117 3.899 6.017 0.0666 -0.1472 -0.2656 35DOPE H3R 4423 1.064 3.945 5.930 -2.9059 -2.5736 0.0811 35DOPE H3S 4424 1.086 3.792 6.010 0.7250 -0.4943 1.5698 35DOPE C24 4425 1.268 3.891 5.997 0.1968 -0.1806 0.7084 35DOPE H4R 4426 1.316 3.862 6.093 2.3884 -0.2309 -0.3392 35DOPE H4S 4427 1.298 3.995 5.971 -1.0784 0.0717 0.2288 35DOPE C25 4428 1.315 3.803 5.881 -0.0190 -0.0626 0.5309 35DOPE H5R 4429 1.292 3.698 5.911 0.6914 -0.5820 -0.6772 35DOPE H5S 4430 1.425 3.809 5.869 -0.1531 0.3130 -0.5291 35DOPE C26 4431 1.255 3.834 5.744 0.0250 -0.4443 0.4226 35DOPE H6R 4432 1.296 3.937 5.729 1.3065 -0.9777 0.0946 35DOPE H6S 4433 1.144 3.830 5.743 0.0713 -2.0415 -0.5062 35DOPE C27 4434 1.308 3.759 5.622 -0.6556 0.1134 -0.2212 35DOPE H7R 4435 1.291 3.650 5.628 -2.0144 0.3912 3.2394 35DOPE H7S 4436 1.417 3.780 5.632 -0.7621 0.4208 0.3446 35DOPE C28 4437 1.268 3.820 5.487 -0.6961 -0.2879 -0.3914 35DOPE H8R 4438 1.298 3.927 5.496 0.2729 -0.6262 0.7346 35DOPE H8S 4439 1.157 3.809 5.492 -0.7555 0.5086 0.4826 35DOPE C29 4440 1.336 3.763 5.367 -0.0493 0.2136 -0.2680 35DOPE H9R 4441 1.446 3.776 5.370 -0.0912 0.6359 -0.4314 35DOPE C210 4442 1.272 3.684 5.280 0.1053 -0.0040 -0.1859 35DOPE H10R 4443 1.336 3.656 5.195 0.3774 -1.7443 0.5320 35DOPE C211 4444 1.124 3.665 5.260 0.2172 -1.2283 0.0538 35DOPE H11R 4445 1.077 3.753 5.210 -0.4588 -0.1896 2.3852 35DOPE H11S 4446 1.081 3.663 5.362 0.8807 0.3816 0.3858 35DOPE C212 4447 1.078 3.538 5.188 0.2770 -0.9437 -0.4908 35DOPE H12R 4448 1.078 3.453 5.259 -0.4104 -2.0987 -1.8152 35DOPE H12S 4449 1.155 3.506 5.114 -0.1252 -0.2841 -1.2042 35DOPE C213 4450 0.945 3.566 5.119 0.1890 0.2597 0.1470 35DOPE H13R 4451 0.960 3.667 5.075 0.2811 0.5945 0.9294 35DOPE H13S 4452 0.861 3.583 5.189 -1.5785 -1.0776 -1.5401 35DOPE C214 4453 0.914 3.455 5.019 -0.1536 0.5605 -0.0858 35DOPE H14R 4454 0.914 3.356 5.069 -2.0537 -0.2622 -1.5644 35DOPE H14S 4455 0.994 3.459 4.942 0.6119 -0.6218 0.6100 35DOPE C215 4456 0.774 3.461 4.956 0.1560 0.3190 -0.8142 35DOPE H15R 4457 0.776 3.563 4.910 1.6730 0.6053 -0.1742 35DOPE H15S 4458 0.774 3.377 4.884 -1.2742 -1.7813 1.4717 35DOPE C216 4459 0.655 3.448 5.051 0.3850 -1.0054 -0.6889 35DOPE H16R 4460 0.648 3.540 5.113 -4.1766 0.1115 -2.4013 35DOPE H16S 4461 0.679 3.361 5.115 1.2476 -2.0898 -2.4276 35DOPE C217 4462 0.524 3.429 4.973 -0.0590 -0.0143 -0.2092 35DOPE H17R 4463 0.502 3.516 4.908 -1.9275 -0.2736 0.0312 35DOPE H17S 4464 0.441 3.419 5.046 -0.5933 -1.9730 -1.0083 35DOPE C218 4465 0.524 3.308 4.880 0.1494 0.0559 -0.3026 35DOPE H18R 4466 0.616 3.307 4.818 -0.1185 -1.4353 -0.7228 35DOPE H18S 4467 0.440 3.313 4.807 0.1604 -0.0395 -0.3226 35DOPE H18T 4468 0.512 3.209 4.931 -1.8286 0.2178 -0.3713 35DOPE C33 4469 1.151 3.357 6.068 -0.2196 0.2865 0.1676 35DOPE H3X 4470 1.137 3.267 6.132 -0.0866 0.1424 -0.0068 35DOPE H3Y 4471 1.216 3.422 6.129 1.6647 -1.1996 -0.1744 35DOPE C34 4472 1.214 3.295 5.943 0.3880 -0.2469 0.7336 35DOPE H4X 4473 1.291 3.220 5.969 -0.2332 -0.7008 1.2844 35DOPE H4Y 4474 1.132 3.243 5.889 -0.6229 2.0676 -0.0929 35DOPE C35 4475 1.263 3.408 5.851 -0.0875 -0.1323 0.6190 35DOPE H5X 4476 1.339 3.465 5.907 -0.2522 1.5330 -0.7883 35DOPE H5Y 4477 1.184 3.483 5.831 1.4808 1.4981 0.3176 35DOPE C36 4478 1.337 3.346 5.732 -0.3337 0.0090 0.3917 35DOPE H6X 4479 1.411 3.419 5.693 0.0634 -0.5333 0.1203 35DOPE H6Y 4480 1.397 3.261 5.770 -1.3253 -0.0927 1.8170 35DOPE C37 4481 1.241 3.314 5.618 -0.0518 0.0483 0.1431 35DOPE H7X 4482 1.150 3.266 5.658 0.0043 1.4253 2.0593 35DOPE H7Y 4483 1.208 3.408 5.570 -0.9561 0.0195 0.6978 35DOPE C38 4484 1.325 3.237 5.515 -0.6534 -0.2393 -0.1385 35DOPE H8X 4485 1.362 3.140 5.555 -0.8552 0.0533 0.7871 35DOPE H8Y 4486 1.247 3.205 5.442 0.1456 -0.4296 -0.9295 35DOPE C39 4487 1.438 3.312 5.450 -0.2505 -0.1346 0.6654 35DOPE H9X 4488 1.499 3.381 5.510 -1.9036 2.1018 -0.0763 35DOPE C310 4489 1.452 3.312 5.316 -0.4095 -0.3427 0.6484 35DOPE H10X 4490 1.537 3.372 5.282 -0.8730 1.1272 1.9686 35DOPE C311 4491 1.379 3.230 5.214 0.1681 0.2436 -0.2505 35DOPE H11X 4492 1.354 3.129 5.253 1.4763 0.3716 0.9814 35DOPE H11Y 4493 1.283 3.279 5.187 0.8000 0.4489 -2.2708 35DOPE C312 4494 1.464 3.214 5.088 0.9632 -0.2443 0.3371 35DOPE H12X 4495 1.408 3.140 5.026 -0.5158 -0.2523 1.6186 35DOPE H12Y 4496 1.566 3.189 5.122 0.1205 -1.4498 2.1553 35DOPE C313 4497 1.468 3.343 5.006 0.3326 -0.4147 0.0269 35DOPE H13X 4498 1.387 3.406 5.048 0.3907 -1.7370 2.2790 35DOPE H13Y 4499 1.569 3.386 5.021 0.9377 -0.6421 -2.7693 35DOPE C314 4500 1.455 3.316 4.855 -0.5060 -0.5261 0.1154 35DOPE H14X 4501 1.464 3.413 4.802 -0.4345 -0.5111 0.1541 35DOPE H14Y 4502 1.352 3.280 4.836 -0.9376 1.6348 -2.1038 35DOPE C315 4503 1.541 3.209 4.789 -0.1976 -0.1078 -0.1616 35DOPE H15X 4504 1.520 3.113 4.840 -1.1957 -0.4570 -1.2044 35DOPE H15Y 4505 1.513 3.201 4.682 0.9628 -2.0192 -0.3673 35DOPE C316 4506 1.693 3.228 4.781 -0.1995 0.0801 0.2518 35DOPE H16X 4507 1.731 3.221 4.885 -0.5328 3.1466 0.6893 35DOPE H16Y 4508 1.737 3.157 4.708 -0.6153 1.1799 -1.1154 35DOPE C317 4509 1.735 3.367 4.732 0.1881 -0.1826 -0.1663 35DOPE H17X 4510 1.681 3.452 4.780 1.4578 0.3555 0.3536 35DOPE H17Y 4511 1.702 3.363 4.626 1.9055 0.8448 -0.7854 35DOPE C318 4512 1.885 3.398 4.733 0.1017 0.2372 0.5351 35DOPE H18X 4513 1.946 3.323 4.678 -0.0815 -0.1792 0.8906 35DOPE H18Y 4514 1.909 3.497 4.688 0.1890 -0.9455 -2.2385 35DOPE H18Z 4515 1.929 3.409 4.834 0.0940 0.0676 0.5565 36DOPE N 4516 2.438 2.530 7.260 0.0761 -0.1114 0.1459 36DOPE HN1 4517 2.450 2.463 7.181 -0.5833 0.8601 -0.8078 36DOPE HN2 4518 2.499 2.496 7.337 1.1924 0.4126 -0.4878 36DOPE HN3 4519 2.339 2.531 7.290 -0.3460 1.6785 -1.1820 36DOPE C12 4520 2.478 2.667 7.211 0.5382 -0.2014 0.2663 36DOPE H12A 4521 2.575 2.701 7.254 0.1517 0.9868 0.2266 36DOPE H12B 4522 2.399 2.735 7.249 0.3856 -0.2233 -0.0114 36DOPE C11 4523 2.484 2.674 7.059 -0.0329 0.0914 0.2564 36DOPE H11A 4524 2.540 2.592 7.010 0.4825 0.4496 0.2285 36DOPE H11B 4525 2.546 2.763 7.032 2.3784 -1.5031 0.2590 36DOPE P 4526 2.321 2.628 6.871 -0.0004 0.0600 0.0117 36DOPE O13 4527 2.174 2.616 6.862 -0.0138 0.2613 -0.0402 36DOPE O14 4528 2.390 2.498 6.860 0.0998 0.1218 -0.0925 36DOPE O11 4529 2.379 2.724 6.758 0.1356 0.6174 0.5471 36DOPE O12 4530 2.349 2.693 7.015 -0.0315 -0.1861 0.1293 36DOPE C1 4531 2.295 2.833 6.719 0.1096 0.3745 -0.0883 36DOPE HA 4532 2.358 2.921 6.694 -1.9718 1.7376 -0.8679 36DOPE HB 4533 2.238 2.865 6.809 0.0788 0.0672 0.0036 36DOPE C2 4534 2.200 2.789 6.606 0.1120 -0.0431 0.0727 36DOPE HS 4535 2.116 2.732 6.651 -0.8249 -0.1093 -1.6772 36DOPE O21 4536 2.278 2.698 6.527 0.1962 0.6046 -0.5976 36DOPE C21 4537 2.202 2.614 6.456 -0.0690 0.1150 0.2569 36DOPE O22 4538 2.081 2.626 6.447 0.0150 0.9504 0.1405 36DOPE C22 4539 2.282 2.512 6.378 -0.2295 0.1372 0.0631 36DOPE H2R 4540 2.240 2.412 6.401 -0.0326 -0.5737 -2.3495 36DOPE H2S 4541 2.390 2.521 6.401 0.7960 -3.3656 -2.4451 36DOPE C3 4542 2.138 2.906 6.529 0.0767 -0.3664 -0.3964 36DOPE HX 4543 2.083 2.975 6.597 -2.7072 -1.3213 -1.5530 36DOPE HY 4544 2.065 2.889 6.447 1.2469 0.8161 -1.7490 36DOPE O31 4545 2.241 2.980 6.462 0.2010 0.1421 0.3457 36DOPE C31 4546 2.195 3.069 6.375 -0.0531 -0.4015 -0.0837 36DOPE O32 4547 2.078 3.105 6.372 0.2382 0.6542 0.5621 36DOPE C32 4548 2.316 3.120 6.298 -0.0444 -0.0412 0.1627 36DOPE H2X 4549 2.309 3.228 6.277 0.3126 -0.0131 0.1847 36DOPE H2Y 4550 2.405 3.095 6.360 -0.5748 -2.4441 0.0786 36DOPE C23 4551 2.268 2.545 6.229 -0.3678 -0.3441 -0.0336 36DOPE H3R 4552 2.303 2.651 6.226 3.1525 -1.3364 1.3083 36DOPE H3S 4553 2.159 2.534 6.209 -0.4306 -1.7037 0.9384 36DOPE C24 4554 2.349 2.454 6.137 0.0272 0.3949 -0.4253 36DOPE H4R 4555 2.307 2.352 6.148 0.3736 0.3995 1.0544 36DOPE H4S 4556 2.454 2.461 6.173 0.4176 0.4620 -1.5375 36DOPE C25 4557 2.342 2.503 5.992 -0.6504 -0.3069 -0.6356 36DOPE H5R 4558 2.380 2.607 5.980 -0.8194 -0.0591 0.8365 36DOPE H5S 4559 2.233 2.512 5.972 -1.0088 2.3332 1.8748 36DOPE C26 4560 2.401 2.406 5.889 0.0163 -0.2756 -0.2886 36DOPE H6R 4561 2.361 2.307 5.919 -0.0205 -1.1326 -2.9085 36DOPE H6S 4562 2.512 2.398 5.892 -0.0073 -0.4097 1.5855 36DOPE C27 4563 2.356 2.435 5.746 0.1925 -0.7548 -0.4419 36DOPE H7R 4564 2.249 2.464 5.739 0.3484 0.1765 0.7461 36DOPE H7S 4565 2.362 2.335 5.698 1.2543 -1.4329 1.0471 36DOPE C28 4566 2.442 2.530 5.661 0.0117 -0.2371 -0.0484 36DOPE H8R 4567 2.536 2.471 5.659 0.0313 -0.1906 -1.5262 36DOPE H8S 4568 2.439 2.624 5.720 -1.3611 -0.2076 -0.1143 36DOPE C29 4569 2.390 2.539 5.521 0.0680 -0.0058 -0.0557 36DOPE H9R 4570 2.392 2.440 5.473 1.3659 -0.1926 0.3482 36DOPE C210 4571 2.320 2.639 5.466 -0.2385 -0.2100 -0.0397 36DOPE H10R 4572 2.288 2.634 5.361 0.1556 -1.2035 -0.1212 36DOPE C211 4573 2.309 2.774 5.531 -0.0385 0.1618 -0.7743 36DOPE H11R 4574 2.345 2.860 5.471 -0.7270 0.1737 -1.1770 36DOPE H11S 4575 2.359 2.777 5.630 1.5461 0.8151 -1.5555 36DOPE C212 4576 2.159 2.792 5.555 0.1216 0.3034 0.1794 36DOPE H12R 4577 2.103 2.735 5.478 -1.8853 0.4676 1.4571 36DOPE H12S 4578 2.128 2.898 5.546 -4.8355 -0.7219 1.9794 36DOPE C213 4579 2.102 2.769 5.695 -0.0376 -0.8231 -0.0608 36DOPE H13R 4580 2.126 2.663 5.716 1.2723 -0.5489 -0.0775 36DOPE H13S 4581 1.991 2.780 5.690 0.1681 2.0073 0.3015 36DOPE C214 4582 2.156 2.869 5.796 -0.4253 -0.3433 -0.3233 36DOPE H14R 4583 2.114 2.972 5.786 2.1341 0.9731 1.2445 36DOPE H14S 4584 2.266 2.879 5.781 -0.3690 2.4794 1.1638 36DOPE C215 4585 2.120 2.824 5.938 0.1493 0.6243 0.1447 36DOPE H15R 4586 2.201 2.854 6.008 2.4201 -2.7584 -0.8083 36DOPE H15S 4587 2.103 2.715 5.948 -1.2327 0.9023 1.1482 36DOPE C216 4588 1.993 2.889 5.993 0.1219 0.7193 -0.0300 36DOPE H16R 4589 1.903 2.846 5.944 -0.9156 1.0101 1.5339 36DOPE H16S 4590 1.984 2.999 5.974 -2.3596 0.4427 -0.7986 36DOPE C217 4591 1.971 2.859 6.141 -0.3033 -0.3439 -0.3006 36DOPE H17R 4592 2.071 2.877 6.187 -0.0159 0.1528 -1.1029 36DOPE H17S 4593 1.940 2.753 6.150 -1.1573 -0.1213 -0.5040 36DOPE C218 4594 1.871 2.957 6.203 -0.0372 -0.2170 -0.0675 36DOPE H18R 4595 1.774 2.952 6.150 0.2139 0.0668 -0.5673 36DOPE H18S 4596 1.909 3.061 6.195 1.5830 -0.7357 0.4794 36DOPE H18T 4597 1.860 2.936 6.312 1.6448 0.1861 0.2039 36DOPE C33 4598 2.317 3.051 6.161 0.1769 -0.2197 0.2534 36DOPE H3X 4599 2.220 3.072 6.112 -0.2736 -0.1573 1.1514 36DOPE H3Y 4600 2.326 2.942 6.182 1.0661 -0.0026 1.1098 36DOPE C34 4601 2.420 3.094 6.057 0.0374 0.0459 0.2237 36DOPE H4X 4602 2.393 3.065 5.953 2.7326 -1.8866 -0.0613 36DOPE H4Y 4603 2.425 3.204 6.070 -1.4972 -0.0009 1.4773 36DOPE C35 4604 2.560 3.036 6.079 -0.0127 -0.0096 0.4019 36DOPE H5X 4605 2.560 2.928 6.108 2.1029 -0.0420 0.4346 36DOPE H5Y 4606 2.604 3.085 6.168 0.2824 1.3987 -0.4991 36DOPE C36 4607 2.666 3.070 5.974 -0.7257 0.3190 -0.2227 36DOPE H6X 4608 2.650 3.172 5.933 -4.0350 0.3523 0.8665 36DOPE H6Y 4609 2.770 3.061 6.013 -1.3135 -0.5507 1.1983 36DOPE C37 4610 2.663 2.974 5.855 -0.3745 0.2497 -0.1786 36DOPE H7X 4611 2.668 2.869 5.891 0.4660 0.5972 0.7543 36DOPE H7Y 4612 2.559 2.983 5.815 -0.0169 -0.7849 -1.3952 36DOPE C38 4613 2.758 2.985 5.736 -0.2078 -0.1070 -0.0792 36DOPE H8X 4614 2.733 3.083 5.689 -2.5229 -0.0148 1.1851 36DOPE H8Y 4615 2.863 2.992 5.772 -0.0121 0.1764 -0.6871 36DOPE C39 4616 2.726 2.869 5.646 -0.3699 0.2477 -0.4857 36DOPE H9X 4617 2.758 2.769 5.679 0.7621 0.2534 -1.4900 36DOPE C310 4618 2.698 2.880 5.516 -1.0332 -0.4975 -0.4141 36DOPE H10X 4619 2.686 2.787 5.457 0.9198 -0.5385 -0.8104 36DOPE C311 4620 2.672 3.011 5.447 -0.1249 -0.2133 -0.2235 36DOPE H11X 4621 2.567 3.045 5.460 0.2968 0.8680 0.4226 36DOPE H11Y 4622 2.745 3.088 5.481 -0.2160 -0.2721 0.1037 36DOPE C312 4623 2.710 3.002 5.299 -0.5070 -0.3320 -0.3149 36DOPE H12X 4624 2.658 2.912 5.260 -0.6996 -0.6974 0.7487 36DOPE H12Y 4625 2.820 2.994 5.291 -0.4616 -2.6350 1.7904 36DOPE C313 4626 2.658 3.113 5.206 -0.1108 0.2392 0.1396 36DOPE H13X 4627 2.548 3.120 5.198 -0.1959 -0.4242 0.6535 36DOPE H13Y 4628 2.695 3.213 5.238 0.8412 0.2961 -1.0653 36DOPE C314 4629 2.702 3.104 5.060 -0.0660 0.2466 0.1530 36DOPE H14X 4630 2.658 3.018 5.004 -2.5640 1.8307 -0.4573 36DOPE H14Y 4631 2.813 3.095 5.058 0.1271 1.5199 2.2090 36DOPE C315 4632 2.668 3.223 4.970 0.3957 -0.3951 -0.8954 36DOPE H15X 4633 2.704 3.199 4.868 0.5231 0.9405 -1.1791 36DOPE H15Y 4634 2.558 3.241 4.962 0.3078 -0.0884 0.6903 36DOPE C316 4635 2.745 3.350 5.006 0.0845 -0.4023 -0.1686 36DOPE H16X 4636 2.729 3.381 5.111 0.1295 0.1223 -0.3169 36DOPE H16Y 4637 2.854 3.325 5.000 0.5803 1.5780 -0.0845 36DOPE C317 4638 2.712 3.474 4.924 0.4735 -0.0044 0.2693 36DOPE H17X 4639 2.723 3.567 4.984 1.0947 0.8214 -1.0695 36DOPE H17Y 4640 2.603 3.466 4.902 -0.0620 3.3059 1.1197 36DOPE C318 4641 2.786 3.488 4.791 -0.3247 -0.1712 -0.1995 36DOPE H18X 4642 2.769 3.593 4.757 2.8525 0.3192 -0.5302 36DOPE H18Y 4643 2.895 3.470 4.796 -0.2666 0.4942 1.9161 36DOPE H18Z 4644 2.747 3.417 4.714 -0.1652 0.8230 -1.2247 37DOPE N 4645 3.297 0.480 6.766 0.5305 -0.4433 0.2364 37DOPE HN1 4646 3.207 0.457 6.811 0.0360 0.2441 -0.3814 37DOPE HN2 4647 3.364 0.403 6.786 1.4234 0.3895 0.5546 37DOPE HN3 4648 3.331 0.569 6.807 -3.0201 1.3822 -0.4141 37DOPE C12 4649 3.266 0.506 6.621 0.5323 0.2795 0.3616 37DOPE H12A 4650 3.358 0.547 6.575 -0.5080 2.6087 0.2440 37DOPE H12B 4651 3.187 0.583 6.629 1.1872 0.9233 0.6527 37DOPE C11 4652 3.224 0.384 6.539 0.0941 0.4380 0.3500 37DOPE H11A 4653 3.208 0.416 6.433 -0.6886 -1.7950 -0.2698 37DOPE H11B 4654 3.125 0.352 6.578 -0.3826 -0.2473 -1.2868 37DOPE P 4655 3.285 0.139 6.487 0.2092 0.2604 0.0736 37DOPE O13 4656 3.140 0.113 6.504 0.2264 0.0565 -0.0883 37DOPE O14 4657 3.372 0.039 6.554 -0.0333 -0.0068 -0.0091 37DOPE O11 4658 3.322 0.164 6.334 -0.1151 0.2876 -0.0022 37DOPE O12 4659 3.320 0.280 6.555 -0.3022 0.1147 0.6595 37DOPE C1 4660 3.458 0.197 6.303 -0.2463 0.3872 -0.4842 37DOPE HA 4661 3.477 0.154 6.203 -0.7678 0.3988 -0.5919 37DOPE HB 4662 3.530 0.151 6.375 -0.1180 0.4920 -0.5440 37DOPE C2 4663 3.488 0.348 6.305 0.3819 0.2631 -0.1629 37DOPE HS 4664 3.493 0.381 6.410 -0.1120 1.5548 -0.5304 37DOPE O21 4665 3.379 0.412 6.238 0.2338 -0.0604 -0.2361 37DOPE C21 4666 3.368 0.542 6.266 -0.1382 -0.1756 0.1758 37DOPE O22 4667 3.445 0.604 6.337 -0.2900 0.2558 -0.0312 37DOPE C22 4668 3.263 0.608 6.178 -0.1506 -0.5697 -0.1072 37DOPE H2R 4669 3.207 0.684 6.238 0.2121 -1.3844 1.2975 37DOPE H2S 4670 3.188 0.534 6.141 0.5735 -0.9522 -0.8265 37DOPE C3 4671 3.619 0.383 6.231 0.1591 -0.0910 -0.7348 37DOPE HX 4672 3.702 0.332 6.284 1.3637 0.1253 -2.3502 37DOPE HY 4673 3.644 0.491 6.236 -0.4883 0.0143 0.9369 37DOPE O31 4674 3.615 0.353 6.091 -0.1368 0.0402 -0.7555 37DOPE C31 4675 3.672 0.237 6.059 0.0231 -0.0957 -0.0059 37DOPE O32 4676 3.708 0.151 6.138 -0.1278 0.1684 0.3497 37DOPE C32 4677 3.690 0.229 5.908 -0.3844 0.2203 -0.0734 37DOPE H2X 4678 3.769 0.302 5.883 -0.8886 0.8985 0.2967 37DOPE H2Y 4679 3.599 0.269 5.858 -0.8738 -0.3846 0.3219 37DOPE C23 4680 3.328 0.688 6.065 0.3851 -0.0967 0.5297 37DOPE H3R 4681 3.411 0.746 6.111 1.0322 -0.2930 -0.3756 37DOPE H3S 4682 3.255 0.765 6.032 3.3038 1.5455 -2.7499 37DOPE C24 4683 3.366 0.595 5.950 0.6809 0.1744 0.4069 37DOPE H4R 4684 3.270 0.550 5.917 1.2386 -0.8697 0.1762 37DOPE H4S 4685 3.441 0.521 5.986 4.3678 2.4416 -1.9611 37DOPE C25 4686 3.430 0.673 5.835 0.1219 -0.1589 -0.1388 37DOPE H5R 4687 3.536 0.685 5.867 -0.4234 0.1662 1.7081 37DOPE H5S 4688 3.380 0.772 5.825 -0.2983 -0.2078 1.2334 37DOPE C26 4689 3.422 0.611 5.696 -0.5317 -0.1473 -0.1085 37DOPE H6R 4690 3.486 0.663 5.622 -0.2714 1.0554 0.9377 37DOPE H6S 4691 3.317 0.618 5.658 -0.1240 0.7177 -1.1200 37DOPE C27 4692 3.462 0.463 5.693 -0.6835 -0.1880 -0.1324 37DOPE H7R 4693 3.405 0.403 5.767 -0.1085 1.2584 1.5533 37DOPE H7S 4694 3.565 0.442 5.727 -0.4835 -0.5947 -0.9765 37DOPE C28 4695 3.432 0.396 5.559 0.6929 -0.5473 -0.2742 37DOPE H8R 4696 3.457 0.288 5.562 1.4684 -0.3851 -0.7561 37DOPE H8S 4697 3.503 0.443 5.487 1.9099 -0.5393 0.9000 37DOPE C29 4698 3.291 0.411 5.507 0.5529 0.3841 0.3402 37DOPE H9R 4699 3.224 0.359 5.577 0.0406 0.8842 0.2253 37DOPE C210 4700 3.242 0.477 5.402 0.5600 -0.0682 0.0467 37DOPE H10R 4701 3.135 0.471 5.379 0.7051 -1.4094 -0.3290 37DOPE C211 4702 3.322 0.569 5.314 0.0408 -0.0134 -0.3714 37DOPE H11R 4703 3.417 0.605 5.358 0.2209 -1.4524 0.4753 37DOPE H11S 4704 3.268 0.663 5.290 2.0581 1.0625 -0.8764 37DOPE C212 4705 3.381 0.517 5.183 0.5918 0.5124 -0.3334 37DOPE H12R 4706 3.450 0.432 5.202 -0.4554 -0.2363 0.1558 37DOPE H12S 4707 3.454 0.592 5.145 0.7290 0.7589 0.3969 37DOPE C213 4708 3.274 0.492 5.077 0.0837 -0.0835 0.3139 37DOPE H13R 4709 3.195 0.569 5.069 -1.3224 -1.4870 0.2487 37DOPE H13S 4710 3.233 0.390 5.092 -0.9019 0.2454 -0.0955 37DOPE C214 4711 3.334 0.499 4.936 -0.5424 0.4213 0.0696 37DOPE H14R 4712 3.426 0.441 4.917 0.1756 1.3003 0.7786 37DOPE H14S 4713 3.366 0.605 4.934 1.9552 -0.2602 0.4641 37DOPE C215 4714 3.231 0.477 4.824 0.0152 -0.2681 -0.3165 37DOPE H15R 4715 3.146 0.543 4.853 -1.0348 -1.7654 0.0906 37DOPE H15S 4716 3.192 0.374 4.832 -0.9048 0.0665 -0.3171 37DOPE C216 4717 3.281 0.513 4.684 -0.2023 0.0511 -0.3130 37DOPE H16R 4718 3.381 0.468 4.665 -1.1924 -3.1291 1.2758 37DOPE H16S 4719 3.286 0.623 4.667 -1.3795 -0.0638 -1.5689 37DOPE C217 4720 3.186 0.476 4.570 -0.2174 -0.5306 -0.1135 37DOPE H17R 4721 3.085 0.519 4.587 0.0524 0.5951 -1.1987 37DOPE H17S 4722 3.172 0.366 4.563 1.3345 -0.9240 2.0242 37DOPE C218 4723 3.232 0.536 4.437 -0.3516 -0.4871 -0.1405 37DOPE H18R 4724 3.186 0.637 4.428 0.9369 -0.0370 -2.8314 37DOPE H18S 4725 3.214 0.472 4.348 1.4857 -1.8698 0.4230 37DOPE H18T 4726 3.342 0.548 4.432 -0.4176 0.2354 0.0895 37DOPE C33 4727 3.726 0.092 5.850 0.3913 0.5403 -0.3568 37DOPE H3X 4728 3.647 0.018 5.875 -0.0030 1.4648 1.2501 37DOPE H3Y 4729 3.824 0.055 5.888 0.5419 0.0600 -1.1792 37DOPE C34 4730 3.727 0.100 5.697 0.0281 0.0717 -0.3862 37DOPE H4X 4731 3.782 0.189 5.661 -0.5125 -0.0590 -1.5652 37DOPE H4Y 4732 3.625 0.103 5.653 1.1237 -1.9955 -3.4260 37DOPE C35 4733 3.811 -0.012 5.635 0.3446 -0.1063 0.3443 37DOPE H5X 4734 3.759 -0.109 5.649 -0.0799 -0.1779 -1.5102 37DOPE H5Y 4735 3.911 -0.016 5.683 0.0234 1.6210 1.2405 37DOPE C36 4736 3.828 0.024 5.487 0.3998 0.7710 0.5608 37DOPE H6X 4737 3.731 0.042 5.436 0.7779 -1.4891 -1.0784 37DOPE H6Y 4738 3.890 0.116 5.475 -0.0670 0.9395 -0.6740 37DOPE C37 4739 3.910 -0.086 5.420 -0.3334 0.3812 0.2931 37DOPE H7X 4740 3.997 -0.102 5.488 -0.3806 0.8913 0.4741 37DOPE H7Y 4741 3.844 -0.176 5.415 -0.3785 0.4305 -0.0175 37DOPE C38 4742 3.948 -0.052 5.276 -0.3851 0.4385 0.2936 37DOPE H8X 4743 4.035 0.017 5.281 0.5433 -0.7536 1.1278 37DOPE H8Y 4744 3.857 -0.006 5.233 -0.9080 -0.2753 0.6078 37DOPE C39 4745 3.997 -0.168 5.194 -0.3622 0.7068 -0.0718 37DOPE H9X 4746 4.058 -0.248 5.238 -1.9588 0.0118 0.9630 37DOPE C310 4747 3.963 -0.181 5.064 0.8222 0.2054 -0.3388 37DOPE H10X 4748 3.998 -0.264 5.001 0.4282 0.0685 -0.3763 37DOPE C311 4749 3.894 -0.072 4.988 -0.0020 0.2204 0.4202 37DOPE H11X 4750 3.891 0.029 5.034 -0.7503 -0.2175 1.3904 37DOPE H11Y 4751 3.787 -0.096 4.971 -0.5215 1.1289 2.1031 37DOPE C312 4752 3.966 -0.065 4.854 -0.1006 0.2889 0.3705 37DOPE H12X 4753 4.072 -0.037 4.871 0.7473 -1.4200 -1.5238 37DOPE H12Y 4754 3.961 -0.165 4.805 1.0982 -0.0154 0.8383 37DOPE C313 4755 3.904 0.034 4.756 -0.2018 -0.0532 0.0809 37DOPE H13X 4756 3.796 0.009 4.744 -0.1101 -1.7359 2.1898 37DOPE H13Y 4757 3.899 0.138 4.795 0.9263 -0.2635 0.8147 37DOPE C314 4758 3.976 0.025 4.621 -0.4161 -0.6429 0.0022 37DOPE H14X 4759 3.940 -0.066 4.569 1.4742 -1.2897 -0.2474 37DOPE H14Y 4760 4.086 0.015 4.630 -0.3500 -0.8559 -0.9495 37DOPE C315 4761 3.957 0.147 4.530 0.1048 0.0511 0.8089 37DOPE H15X 4762 3.848 0.153 4.509 0.3511 -1.3764 -1.1190 37DOPE H15Y 4763 3.999 0.237 4.580 0.6788 0.2995 -0.1032 37DOPE C316 4764 4.037 0.131 4.401 -0.3565 0.2711 0.4947 37DOPE H16X 4765 3.971 0.082 4.327 -0.6490 -0.7488 1.4016 37DOPE H16Y 4766 4.119 0.057 4.415 -1.1385 -1.0344 -1.3219 37DOPE C317 4767 4.084 0.265 4.343 0.3046 -0.0502 0.2729 37DOPE H17X 4768 4.103 0.245 4.236 -0.2308 1.5530 -0.1496 37DOPE H17Y 4769 3.999 0.337 4.341 2.0514 2.1630 -2.9879 37DOPE C318 4770 4.202 0.333 4.413 0.1267 -0.0981 0.6237 37DOPE H18X 4771 4.240 0.413 4.345 1.9491 0.6641 2.4517 37DOPE H18Y 4772 4.277 0.253 4.428 -0.1259 -0.3466 0.5719 37DOPE H18Z 4773 4.172 0.383 4.508 -1.3297 -0.4842 0.4052 38DOPE N 4774 1.086 5.406 6.931 0.1133 0.2572 0.0106 38DOPE HN1 4775 1.036 5.491 6.899 -1.0217 -0.1192 0.7253 38DOPE HN2 4776 1.030 5.344 6.992 -0.8597 0.9267 -0.1884 38DOPE HN3 4777 1.169 5.437 6.986 -0.5278 -1.1220 1.8490 38DOPE C12 4778 1.133 5.328 6.810 -0.2355 0.4092 -0.2236 38DOPE H12A 4779 1.198 5.242 6.837 -3.5729 -1.6884 1.9381 38DOPE H12B 4780 1.194 5.406 6.760 1.3497 0.1300 1.1834 38DOPE C11 4781 1.016 5.275 6.727 -0.0055 -0.3303 -0.0848 38DOPE H11A 4782 1.051 5.210 6.645 0.0298 0.2039 -0.4934 38DOPE H11B 4783 0.963 5.364 6.686 -0.0506 -0.8986 -1.2739 38DOPE P 4784 0.894 5.050 6.781 -0.0857 -0.3675 -0.0423 38DOPE O13 4785 0.785 5.012 6.873 -0.0211 0.0064 0.1902 38DOPE O14 4786 1.019 4.970 6.785 -0.0307 -0.2564 0.5095 38DOPE O11 4787 0.840 5.069 6.631 -0.4248 0.6174 0.1959 38DOPE O12 4788 0.936 5.200 6.819 0.2638 -0.4814 0.0274 38DOPE C1 4789 0.771 4.962 6.567 0.3822 0.3197 -0.1997 38DOPE HA 4790 0.713 5.004 6.482 -1.9590 -0.0537 1.1242 38DOPE HB 4791 0.682 4.937 6.630 0.2868 -0.2541 -0.5568 38DOPE C2 4792 0.852 4.838 6.527 0.2387 0.0593 0.3105 38DOPE HS 4793 0.913 4.802 6.613 0.1689 -0.1553 0.2720 38DOPE O21 4794 0.934 4.888 6.422 0.2375 -0.3829 0.0956 38DOPE C21 4795 1.050 4.821 6.418 0.1832 -0.4602 -0.2145 38DOPE O22 4796 1.064 4.710 6.466 -0.3480 -0.3869 0.1184 38DOPE C22 4797 1.168 4.892 6.352 -0.3429 0.0466 -0.6201 38DOPE H2R 4798 1.247 4.899 6.429 -1.2204 -2.2743 0.6126 38DOPE H2S 4799 1.127 4.985 6.307 0.9086 1.2308 0.5883 38DOPE C3 4800 0.765 4.725 6.468 0.2612 0.1999 0.0076 38DOPE HX 4801 0.698 4.686 6.548 -0.1012 -0.8720 -0.8028 38DOPE HY 4802 0.832 4.643 6.435 0.0611 0.4922 -1.1682 38DOPE O31 4803 0.685 4.772 6.359 -0.3954 -0.2575 0.2862 38DOPE C31 4804 0.626 4.673 6.291 -0.0362 0.0576 -0.4940 38DOPE O32 4805 0.637 4.553 6.305 0.0161 0.0955 -0.1926 38DOPE C32 4806 0.549 4.739 6.178 -0.6845 0.3296 0.0936 38DOPE H2X 4807 0.502 4.833 6.213 1.7289 0.9221 1.9797 38DOPE H2Y 4808 0.627 4.774 6.106 0.7211 -0.6723 1.0777 38DOPE C23 4809 1.222 4.796 6.245 0.3774 0.0203 -0.2366 38DOPE H3R 4810 1.252 4.700 6.291 2.0014 -0.1027 -1.4650 38DOPE H3S 4811 1.315 4.845 6.210 0.0605 2.3327 1.8778 38DOPE C24 4812 1.139 4.766 6.120 0.6326 0.0764 -0.4208 38DOPE H4R 4813 1.052 4.699 6.138 0.8875 -0.5543 -1.4898 38DOPE H4S 4814 1.205 4.704 6.056 -0.9401 -0.6826 -1.3893 38DOPE C25 4815 1.083 4.894 6.057 -0.4556 -0.1145 0.1239 38DOPE H5R 4816 1.149 4.981 6.075 0.6898 -0.8582 -0.3209 38DOPE H5S 4817 0.991 4.918 6.113 -1.3117 -0.9969 -0.8380 38DOPE C26 4818 1.065 4.884 5.905 0.3384 0.4849 -0.0174 38DOPE H6R 4819 1.164 4.862 5.861 0.6393 -2.6092 1.9450 38DOPE H6S 4820 1.036 4.983 5.863 -0.9537 1.0228 1.9821 38DOPE C27 4821 0.964 4.776 5.865 0.3038 0.5404 -0.0821 38DOPE H7R 4822 0.892 4.757 5.948 -0.0831 -1.8981 -0.8891 38DOPE H7S 4823 1.020 4.680 5.860 -1.5387 -0.7828 2.4029 38DOPE C28 4824 0.885 4.809 5.739 0.0031 -0.2626 -0.1093 38DOPE H8R 4825 0.956 4.841 5.659 -1.4723 1.3329 -0.8397 38DOPE H8S 4826 0.842 4.907 5.767 -0.5624 -0.8863 1.2829 38DOPE C29 4827 0.784 4.702 5.708 -0.5021 0.2004 -0.0668 38DOPE H9R 4828 0.702 4.684 5.779 -0.0401 -0.1152 0.3893 38DOPE C210 4829 0.788 4.628 5.596 -0.0436 0.2529 -0.0877 38DOPE H10R 4830 0.711 4.551 5.582 1.0573 -0.8629 -0.0956 38DOPE C211 4831 0.899 4.632 5.496 0.1061 0.0038 0.0678 38DOPE H11R 4832 0.936 4.532 5.464 -3.8708 -0.7483 -3.0804 38DOPE H11S 4833 0.985 4.688 5.539 0.2948 -0.1352 -0.1195 38DOPE C212 4834 0.858 4.700 5.365 0.0682 -0.2971 -0.0787 38DOPE H12R 4835 0.953 4.695 5.308 1.6480 -1.1368 2.4598 38DOPE H12S 4836 0.825 4.804 5.386 1.9294 0.0896 1.1361 38DOPE C213 4837 0.752 4.624 5.285 0.0264 -0.4142 0.0885 38DOPE H13R 4838 0.657 4.624 5.343 0.6720 1.2257 1.2244 38DOPE H13S 4839 0.792 4.520 5.276 1.3993 0.0688 0.3559 38DOPE C214 4840 0.722 4.681 5.146 0.3718 -0.2683 0.0722 38DOPE H14R 4841 0.676 4.777 5.177 1.0831 -0.4728 1.9300 38DOPE H14S 4842 0.643 4.615 5.104 -1.5434 2.7566 -1.3703 38DOPE C215 4843 0.844 4.689 5.055 0.3045 0.0080 0.0079 38DOPE H15R 4844 0.881 4.589 5.026 -0.2572 -0.2746 0.2603 38DOPE H15S 4845 0.934 4.748 5.084 -0.1993 0.4719 0.6449 38DOPE C216 4846 0.797 4.751 4.923 0.0121 -0.0079 0.1029 38DOPE H16R 4847 0.889 4.745 4.860 -0.4927 -1.1695 -0.5588 38DOPE H16S 4848 0.770 4.856 4.945 0.2071 0.1841 -0.5376 38DOPE C217 4849 0.694 4.673 4.841 -0.1130 0.2557 0.0088 38DOPE H17R 4850 0.667 4.732 4.750 0.5143 1.8130 0.7905 38DOPE H17S 4851 0.599 4.658 4.896 -1.3445 2.9157 -1.1779 38DOPE C218 4852 0.746 4.536 4.798 0.0591 0.3514 -0.0929 38DOPE H18R 4853 0.769 4.476 4.889 1.6686 0.3570 -0.4676 38DOPE H18S 4854 0.842 4.557 4.746 -0.2156 2.6152 0.2349 38DOPE H18T 4855 0.674 4.480 4.735 0.8356 -0.5552 -0.2085 38DOPE C33 4856 0.447 4.646 6.112 0.1154 -0.2547 -0.3377 38DOPE H3X 4857 0.406 4.583 6.194 0.9078 0.3797 0.5667 38DOPE H3Y 4858 0.489 4.573 6.039 -2.1918 0.9551 -3.0610 38DOPE C34 4859 0.324 4.718 6.058 0.2532 0.0879 -0.1973 38DOPE H4X 4860 0.230 4.659 6.054 0.1381 0.2867 -0.5166 38DOPE H4Y 4861 0.317 4.812 6.117 -0.6107 0.9598 -1.6143 38DOPE C35 4862 0.345 4.764 5.913 0.2452 0.1528 -0.1777 38DOPE H5X 4863 0.422 4.843 5.905 0.3494 -0.0622 -1.4881 38DOPE H5Y 4864 0.256 4.817 5.873 0.9554 0.3269 -1.5920 38DOPE C36 4865 0.369 4.650 5.814 0.1080 0.1009 -0.1513 38DOPE H6X 4866 0.472 4.613 5.827 -0.0446 -1.1952 -2.1650 38DOPE H6Y 4867 0.295 4.571 5.838 -1.4698 1.3297 -0.7559 38DOPE C37 4868 0.360 4.689 5.666 -0.1423 -0.1629 -0.2086 38DOPE H7X 4869 0.254 4.709 5.638 0.1454 1.5905 -0.1922 38DOPE H7Y 4870 0.413 4.786 5.650 -0.8863 0.2152 -0.4104 38DOPE C38 4871 0.418 4.581 5.575 0.2815 -0.2996 0.2226 38DOPE H8X 4872 0.528 4.570 5.590 0.0977 -2.0361 0.5536 38DOPE H8Y 4873 0.362 4.489 5.603 1.1693 -0.8487 0.2362 38DOPE C39 4874 0.379 4.605 5.432 -0.1466 -0.1319 0.3662 38DOPE H9X 4875 0.419 4.698 5.388 -0.1555 -0.1380 0.3457 38DOPE C310 4876 0.289 4.544 5.355 -0.2829 0.0136 0.4099 38DOPE H10X 4877 0.277 4.579 5.251 0.0433 1.4173 0.8290 38DOPE C311 4878 0.205 4.423 5.385 -0.2090 -0.0520 0.3508 38DOPE H11X 4879 0.142 4.390 5.299 0.4124 -2.1345 0.6342 38DOPE H11Y 4880 0.136 4.445 5.469 -1.3457 0.0325 -0.5775 38DOPE C312 4881 0.278 4.293 5.419 0.0953 -0.0778 -0.3740 38DOPE H12X 4882 0.327 4.305 5.518 0.3866 1.4839 -0.6928 38DOPE H12Y 4883 0.207 4.207 5.426 0.8624 -0.6902 0.1671 38DOPE C313 4884 0.398 4.258 5.331 -0.0324 -0.5070 -0.3821 38DOPE H13X 4885 0.482 4.330 5.339 -0.6116 0.0136 1.4897 38DOPE H13Y 4886 0.364 4.262 5.225 0.1769 -0.8028 -0.4595 38DOPE C314 4887 0.453 4.120 5.366 0.1055 -0.5293 -0.6783 38DOPE H14X 4888 0.420 4.100 5.471 -1.2677 0.5165 -0.8826 38DOPE H14Y 4889 0.416 4.038 5.301 1.4997 -2.7457 1.1695 38DOPE C315 4890 0.605 4.115 5.375 0.0698 -0.1441 0.2607 38DOPE H15X 4891 0.645 4.183 5.297 -0.4210 -0.8076 -0.5739 38DOPE H15Y 4892 0.647 4.156 5.469 -1.0445 -0.3935 0.8864 38DOPE C316 4893 0.658 3.976 5.338 -0.2653 -0.0860 -0.4541 38DOPE H16X 4894 0.768 3.983 5.355 -0.2197 -2.2685 0.5668 38DOPE H16Y 4895 0.626 3.959 5.233 -1.1839 -4.0541 0.2945 38DOPE C317 4896 0.602 3.859 5.420 -0.1114 0.0371 -0.1691 38DOPE H17X 4897 0.492 3.860 5.405 -0.2069 1.1009 0.4546 38DOPE H17Y 4898 0.632 3.872 5.526 -0.9128 -1.2276 0.2415 38DOPE C318 4899 0.641 3.720 5.370 0.0168 0.0468 -0.0933 38DOPE H18X 4900 0.583 3.647 5.430 0.9523 0.0014 0.7875 38DOPE H18Y 4901 0.616 3.713 5.262 0.6329 0.0297 -0.2420 38DOPE H18Z 4902 0.751 3.701 5.375 0.1898 0.4822 -1.6708 39DOPE N 4903 1.897 0.616 6.840 0.0879 -0.2024 -0.2906 39DOPE HN1 4904 1.875 0.531 6.784 -0.7479 0.8644 -1.6494 39DOPE HN2 4905 1.938 0.692 6.782 0.2103 0.2177 0.3395 39DOPE HN3 4906 1.962 0.585 6.915 -0.9589 0.6901 1.0435 39DOPE C12 4907 1.766 0.649 6.908 0.1604 -0.0474 -0.2264 39DOPE H12A 4908 1.784 0.734 6.977 0.2001 2.1233 -2.7395 39DOPE H12B 4909 1.732 0.562 6.967 -0.7106 0.4601 0.0288 39DOPE C11 4910 1.669 0.697 6.801 0.0242 0.2143 0.0138 39DOPE H11A 4911 1.702 0.801 6.779 1.3768 -0.2703 -0.2738 39DOPE H11B 4912 1.563 0.696 6.836 -0.6585 -0.8136 -1.9123 39DOPE P 4913 1.586 0.685 6.564 0.4256 -0.2626 0.2183 39DOPE O13 4914 1.524 0.809 6.616 -0.3138 -0.4155 -0.2853 39DOPE O14 4915 1.489 0.584 6.516 0.3964 -0.0741 -0.1231 39DOPE O11 4916 1.694 0.716 6.449 0.0306 0.0052 -0.0831 39DOPE O12 4917 1.676 0.621 6.680 1.0135 0.2471 0.0483 39DOPE C1 4918 1.776 0.832 6.458 -0.0390 0.0243 0.3266 39DOPE HA 4919 1.881 0.803 6.437 0.0714 -0.0502 0.9617 39DOPE HB 4920 1.775 0.873 6.562 1.7683 2.2741 -0.4446 39DOPE C2 4921 1.727 0.946 6.367 0.0419 -0.2027 -0.0021 39DOPE HS 4922 1.633 0.983 6.414 0.6835 2.0183 -0.3393 39DOPE O21 4923 1.700 0.885 6.241 -0.0350 0.0435 -0.1056 39DOPE C21 4924 1.619 0.955 6.161 0.2539 0.5069 0.0078 39DOPE O22 4925 1.557 1.057 6.188 0.3599 0.6847 -0.4109 39DOPE C22 4926 1.630 0.904 6.018 0.3428 -0.6582 0.4194 39DOPE H2R 4927 1.616 0.794 6.027 -0.7164 -0.7068 -1.3588 39DOPE H2S 4928 1.726 0.930 5.969 -1.0244 0.8117 -1.6906 39DOPE C3 4929 1.824 1.064 6.352 -0.1827 -0.0323 -0.1136 39DOPE HX 4930 1.825 1.104 6.456 0.9575 0.0894 -0.1521 39DOPE HY 4931 1.797 1.142 6.278 1.1304 1.2291 0.6739 39DOPE O31 4932 1.958 1.022 6.327 -0.3332 -0.5291 -0.0929 39DOPE C31 4933 1.995 1.020 6.198 -0.1184 -0.3921 -0.0349 39DOPE O32 4934 1.920 1.055 6.108 -0.2776 -0.0605 0.2232 39DOPE C32 4935 2.141 0.982 6.179 -0.1008 0.0357 -0.7655 39DOPE H2X 4936 2.206 1.070 6.161 -0.8039 1.2781 2.2609 39DOPE H2Y 4937 2.192 0.937 6.266 -0.2281 -1.3637 -1.3851 39DOPE C23 4938 1.530 0.979 5.929 0.9223 -0.2567 0.1020 39DOPE H3R 4939 1.569 1.081 5.909 0.9687 -0.3772 -0.4453 39DOPE H3S 4940 1.433 0.982 5.981 -0.3966 -0.4318 -2.2011 39DOPE C24 4941 1.510 0.902 5.798 -0.2466 -0.4400 0.3828 39DOPE H4R 4942 1.456 0.808 5.820 0.7166 -1.1198 -0.1118 39DOPE H4S 4943 1.607 0.873 5.753 -0.5780 -1.2878 0.2003 39DOPE C25 4944 1.420 0.980 5.702 0.3704 0.1365 0.2629 39DOPE H5R 4945 1.461 1.083 5.702 -0.4666 0.4778 0.3946 39DOPE H5S 4946 1.315 0.991 5.738 0.8830 1.6011 1.4133 39DOPE C26 4947 1.426 0.938 5.555 -0.3234 -0.1450 0.3098 39DOPE H6R 4948 1.389 0.834 5.538 -4.9233 1.3116 -0.0195 39DOPE H6S 4949 1.533 0.950 5.527 -0.6677 1.1971 -0.5500 39DOPE C27 4950 1.355 1.031 5.456 -0.2562 -0.0926 0.3102 39DOPE H7R 4951 1.364 1.137 5.487 -4.6528 0.1885 1.2311 39DOPE H7S 4952 1.247 1.004 5.464 -0.0630 -0.4141 2.2710 39DOPE C28 4953 1.401 1.008 5.311 0.1531 -0.2617 0.4660 39DOPE H8R 4954 1.512 1.008 5.307 0.1247 1.3319 -1.9370 39DOPE H8S 4955 1.364 1.097 5.256 1.6079 0.7809 1.1150 39DOPE C29 4956 1.350 0.882 5.247 0.3751 0.1005 -0.4314 39DOPE H9R 4957 1.326 0.807 5.324 1.6160 0.0128 -0.1178 39DOPE C210 4958 1.332 0.858 5.116 0.2326 0.1605 -0.4235 39DOPE H10R 4959 1.321 0.754 5.081 1.5627 -0.4315 0.7731 39DOPE C211 4960 1.345 0.947 4.996 -0.1765 0.5796 -0.1610 39DOPE H11R 4961 1.396 1.042 5.023 -0.4361 1.1485 -1.5909 39DOPE H11S 4962 1.243 0.971 4.960 -0.8196 -0.9538 0.5298 39DOPE C212 4963 1.429 0.889 4.882 0.3947 0.5904 0.2465 39DOPE H12R 4964 1.379 0.793 4.857 1.5351 -0.9824 3.4325 39DOPE H12S 4965 1.533 0.872 4.915 0.5114 -0.6182 -0.6632 39DOPE C213 4966 1.416 0.981 4.760 0.4036 -0.0223 -0.2213 39DOPE H13R 4967 1.482 1.070 4.768 1.9692 -1.1414 -0.1004 39DOPE H13S 4968 1.312 1.010 4.737 0.5419 0.8025 0.1582 39DOPE C214 4969 1.470 0.917 4.632 0.0553 -0.3456 -0.2078 39DOPE H14R 4970 1.565 0.867 4.658 -0.5023 -0.7120 1.2133 39DOPE H14S 4971 1.499 0.991 4.554 1.6762 1.1815 1.7444 39DOPE C215 4972 1.366 0.822 4.572 -0.3725 0.4057 -0.6771 39DOPE H15R 4973 1.293 0.883 4.515 0.3463 0.7773 -1.2123 39DOPE H15S 4974 1.313 0.767 4.653 0.5956 1.7112 0.8835 39DOPE C216 4975 1.419 0.723 4.468 -0.2742 0.0868 -0.3253 39DOPE H16R 4976 1.336 0.657 4.437 0.7856 -1.0101 -0.9245 39DOPE H16S 4977 1.494 0.659 4.521 0.0082 1.5242 1.0914 39DOPE C217 4978 1.493 0.785 4.350 0.9826 -0.2414 0.2746 39DOPE H17R 4979 1.573 0.850 4.391 -0.4134 0.8509 1.3353 39DOPE H17S 4980 1.418 0.841 4.292 -0.7038 -2.1236 0.5356 39DOPE C218 4981 1.555 0.680 4.257 -0.1274 -0.5225 -0.1684 39DOPE H18R 4982 1.600 0.609 4.330 1.1848 0.3092 -0.1293 39DOPE H18S 4983 1.646 0.719 4.205 -0.3589 -0.1841 -0.3214 39DOPE H18T 4984 1.488 0.630 4.184 -1.4144 0.8273 0.0496 39DOPE C33 4985 2.156 0.888 6.059 -0.2142 -0.4265 -0.4174 39DOPE H3X 4986 2.092 0.908 5.971 -2.1839 -0.2979 0.9823 39DOPE H3Y 4987 2.129 0.785 6.093 -1.5882 0.5295 1.6083 39DOPE C34 4988 2.301 0.891 6.010 0.0677 -0.0357 0.4173 39DOPE H4X 4989 2.313 0.996 5.977 -4.5195 0.7094 0.5096 39DOPE H4Y 4990 2.389 0.865 6.073 1.3912 1.1675 -0.8458 39DOPE C35 4991 2.311 0.808 5.882 0.7635 0.4169 0.1707 39DOPE H5X 4992 2.220 0.820 5.819 1.6743 2.7319 -0.8186 39DOPE H5Y 4993 2.313 0.704 5.923 0.0383 1.0509 1.9089 39DOPE C36 4994 2.435 0.841 5.798 0.2417 0.2087 -0.7000 39DOPE H6X 4995 2.520 0.857 5.868 1.2011 0.3095 -1.8679 39DOPE H6Y 4996 2.417 0.947 5.768 -0.5944 0.3281 0.1492 39DOPE C37 4997 2.477 0.742 5.689 -1.0505 -0.4966 -0.5797 39DOPE H7X 4998 2.523 0.654 5.737 0.3033 0.3266 -0.2995 39DOPE H7Y 4999 2.384 0.717 5.634 -1.6060 -0.8473 0.4922 39DOPE C38 5000 2.576 0.798 5.587 -0.7800 0.1186 0.0102 39DOPE H8X 5001 2.536 0.882 5.527 1.7649 0.0337 -1.9716 39DOPE H8Y 5002 2.663 0.840 5.642 -1.3187 -0.2165 1.1503 39DOPE C39 5003 2.627 0.691 5.495 -0.5924 0.1317 0.0983 39DOPE H9X 5004 2.667 0.606 5.552 -0.5167 0.2128 0.1667 39DOPE C310 5005 2.610 0.687 5.362 -0.3727 -0.0555 0.0747 39DOPE H10X 5006 2.644 0.596 5.311 0.2258 0.4876 -0.5268 39DOPE C311 5007 2.562 0.801 5.277 -0.3715 -0.1241 -0.0171 39DOPE H11X 5008 2.651 0.821 5.213 1.5960 1.0832 2.8818 39DOPE H11Y 5009 2.561 0.890 5.343 0.1992 -1.9566 2.6192 39DOPE C312 5010 2.429 0.795 5.203 -0.2466 -0.2244 -0.2358 39DOPE H12X 5011 2.344 0.745 5.255 -0.0242 -1.5495 -1.1236 39DOPE H12Y 5012 2.437 0.727 5.116 -2.9656 -0.0067 -0.7531 39DOPE C313 5013 2.390 0.935 5.154 -0.0646 -0.0381 0.1532 39DOPE H13X 5014 2.371 0.997 5.244 3.3363 1.4327 0.0413 39DOPE H13Y 5015 2.476 0.982 5.101 -0.4706 0.6289 0.0746 39DOPE C314 5016 2.276 0.919 5.054 0.2514 0.6672 -0.3309 39DOPE H14X 5017 2.310 0.833 4.993 1.3534 0.3152 0.7408 39DOPE H14Y 5018 2.188 0.883 5.112 0.3925 0.0473 -0.5006 39DOPE C315 5019 2.247 1.049 4.979 -0.4393 0.4941 -0.3743 39DOPE H15X 5020 2.345 1.064 4.929 0.8187 1.6073 2.2546 39DOPE H15Y 5021 2.232 1.126 5.057 0.4599 -0.1886 0.5012 39DOPE C316 5022 2.135 1.044 4.875 -0.0333 0.2778 -0.8078 39DOPE H16X 5023 2.039 1.027 4.929 -1.3528 0.5325 -2.9292 39DOPE H16Y 5024 2.158 0.965 4.801 2.6460 0.1982 0.0305 39DOPE C317 5025 2.131 1.180 4.804 -0.4931 0.4010 -0.5477 39DOPE H17X 5026 2.054 1.176 4.723 -0.0613 -1.2939 -0.9086 39DOPE H17Y 5027 2.093 1.254 4.878 2.0184 1.3559 -0.1400 39DOPE C318 5028 2.258 1.228 4.734 -0.1582 0.5065 0.1248 39DOPE H18X 5029 2.230 1.321 4.680 -1.3176 1.8027 2.7536 39DOPE H18Y 5030 2.340 1.243 4.807 0.7489 -2.5034 -0.1378 39DOPE H18Z 5031 2.308 1.150 4.672 0.3348 0.9112 0.0083 40DOPE N 5032 5.367 0.405 6.271 0.5274 0.0280 0.2981 40DOPE HN1 5033 5.265 0.388 6.276 0.1033 2.1274 -0.4562 40DOPE HN2 5034 5.396 0.427 6.174 0.1074 -2.8334 -0.5844 40DOPE HN3 5035 5.405 0.315 6.308 3.0441 0.8920 -0.0189 40DOPE C12 5036 5.414 0.508 6.372 0.2055 -0.1639 0.6461 40DOPE H12A 5037 5.519 0.527 6.341 -0.4671 -0.1810 -1.9304 40DOPE H12B 5038 5.395 0.458 6.469 -0.9402 -2.1740 -0.5431 40DOPE C11 5039 5.338 0.641 6.371 0.0089 -0.2763 -0.2257 40DOPE H11A 5040 5.329 0.686 6.269 0.0629 0.8757 0.2658 40DOPE H11B 5041 5.398 0.710 6.433 1.6035 -1.7424 -0.0554 40DOPE P 5042 5.142 0.752 6.462 0.0157 0.0703 -0.0710 40DOPE O13 5043 5.003 0.730 6.507 0.1450 0.0634 0.3281 40DOPE O14 5044 5.227 0.830 6.554 -0.3572 0.0894 0.2584 40DOPE O11 5045 5.129 0.818 6.316 0.5647 -0.1253 -0.2123 40DOPE O12 5046 5.210 0.611 6.427 0.1392 0.0499 0.2481 40DOPE C1 5047 5.139 0.960 6.302 -0.1728 -0.0568 -0.1266 40DOPE HA 5048 5.244 0.996 6.315 -1.0520 3.5021 -1.5672 40DOPE HB 5049 5.078 1.017 6.375 -1.1596 -0.2445 -0.7865 40DOPE C2 5050 5.100 1.004 6.160 -0.2133 0.2804 -0.0108 40DOPE HS 5051 4.991 0.999 6.139 -0.3627 1.1917 0.5085 40DOPE O21 5052 5.174 0.920 6.070 -0.1864 0.4933 -0.1897 40DOPE C21 5053 5.111 0.895 5.956 -0.1321 -0.3021 -0.0501 40DOPE O22 5054 4.994 0.924 5.933 -0.0583 0.0817 0.0533 40DOPE C22 5055 5.207 0.833 5.856 0.2126 -0.0207 0.1081 40DOPE H2R 5056 5.165 0.736 5.823 -1.2952 1.4772 -2.7018 40DOPE H2S 5057 5.312 0.825 5.893 0.8359 1.0544 -1.3184 40DOPE C3 5058 5.140 1.152 6.140 -0.4692 0.3745 0.1793 40DOPE HX 5059 5.250 1.161 6.151 -0.1420 -0.2932 -2.0812 40DOPE HY 5060 5.083 1.223 6.204 -1.8155 -1.7256 1.4534 40DOPE O31 5061 5.123 1.185 6.002 0.0514 0.2994 0.0983 40DOPE C31 5062 5.007 1.246 5.977 -0.3010 -0.1877 0.5259 40DOPE O32 5063 4.930 1.286 6.063 0.1009 0.5024 0.5801 40DOPE C32 5064 4.995 1.274 5.828 -0.3903 -0.0720 0.5546 40DOPE H2X 5065 5.019 1.381 5.808 1.0115 -0.4400 0.1603 40DOPE H2Y 5066 5.062 1.208 5.769 -2.0707 1.0224 -2.8178 40DOPE C23 5067 5.218 0.918 5.729 -0.3193 -0.2794 -0.1116 40DOPE H3R 5068 5.248 1.022 5.758 1.7449 -0.6643 -0.7394 40DOPE H3S 5069 5.117 0.916 5.682 0.1375 -2.6943 -1.0999 40DOPE C24 5070 5.320 0.874 5.625 -0.0650 -0.2260 0.1162 40DOPE H4R 5071 5.293 0.774 5.584 -0.3594 0.7021 -2.0635 40DOPE H4S 5072 5.424 0.860 5.663 0.1212 -0.6349 -0.5196 40DOPE C25 5073 5.329 0.981 5.516 -0.0866 -0.3380 0.0035 40DOPE H5R 5074 5.368 1.067 5.573 -0.1139 -0.6812 0.5507 40DOPE H5S 5075 5.222 0.998 5.490 -0.5322 -2.0027 0.5638 40DOPE C26 5076 5.417 0.956 5.394 0.1024 -0.6093 0.1936 40DOPE H6R 5077 5.366 0.873 5.340 -1.6293 2.0099 -2.5173 40DOPE H6S 5078 5.517 0.919 5.424 0.2378 -1.0335 -0.7387 40DOPE C27 5079 5.418 1.066 5.287 0.1656 -0.4966 0.3100 40DOPE H7R 5080 5.320 1.104 5.251 -0.8232 -0.4897 2.7626 40DOPE H7S 5081 5.478 1.029 5.201 0.2217 1.1310 -0.3769 40DOPE C28 5082 5.509 1.183 5.325 0.4952 -0.5968 -0.1675 40DOPE H8R 5083 5.610 1.138 5.340 0.7572 -0.1654 -0.6100 40DOPE H8S 5084 5.477 1.218 5.425 -0.3782 -2.1680 0.1317 40DOPE C29 5085 5.515 1.297 5.228 0.0577 -0.3720 0.0664 40DOPE H9R 5086 5.415 1.330 5.196 0.4568 -0.4321 -1.3533 40DOPE C210 5087 5.621 1.336 5.154 -0.0111 -0.2558 0.0280 40DOPE H10R 5088 5.609 1.417 5.081 -0.6363 0.4309 0.8618 40DOPE C211 5089 5.759 1.282 5.175 0.0181 0.0191 0.5584 40DOPE H11R 5090 5.778 1.279 5.285 -0.7842 1.6539 0.7755 40DOPE H11S 5091 5.825 1.361 5.133 -0.7140 1.8053 2.5740 40DOPE C212 5092 5.785 1.147 5.109 -0.0128 0.3252 -0.0893 40DOPE H12R 5093 5.715 1.069 5.146 0.6544 0.6457 1.9854 40DOPE H12S 5094 5.884 1.106 5.139 -0.7404 -1.9623 -0.6008 40DOPE C213 5095 5.796 1.157 4.957 0.1743 -0.5197 -0.1357 40DOPE H13R 5096 5.876 1.231 4.938 0.3702 0.3969 3.5394 40DOPE H13S 5097 5.706 1.209 4.918 -1.3261 -1.1843 2.2690 40DOPE C214 5098 5.815 1.025 4.880 0.0958 -0.7857 0.2998 40DOPE H14R 5099 5.726 0.964 4.907 -0.2993 -0.4793 -0.2774 40DOPE H14S 5100 5.912 0.983 4.913 0.7730 1.4081 1.3311 40DOPE C215 5101 5.806 1.053 4.730 1.0963 -0.7214 0.2488 40DOPE H15R 5102 5.871 1.142 4.711 1.9258 -1.2707 0.4434 40DOPE H15S 5103 5.700 1.086 4.728 1.4639 0.9669 2.9701 40DOPE C216 5104 5.831 0.926 4.650 0.4063 -0.4275 -0.4390 40DOPE H16R 5105 5.758 0.849 4.683 0.2112 -1.4828 -3.0388 40DOPE H16S 5106 5.933 0.886 4.667 1.0693 0.6425 -1.7000 40DOPE C217 5107 5.818 0.947 4.499 0.5520 -0.0478 -0.3997 40DOPE H17R 5108 5.888 1.023 4.459 0.1210 1.0795 0.9116 40DOPE H17S 5109 5.720 0.997 4.482 0.4039 0.7188 2.3138 40DOPE C218 5110 5.819 0.811 4.429 -0.2134 0.0810 -0.6749 40DOPE H18R 5111 5.748 0.742 4.480 -1.5571 0.6146 -1.7578 40DOPE H18S 5112 5.918 0.764 4.448 0.5579 1.8795 -0.0569 40DOPE H18T 5113 5.793 0.818 4.321 1.6843 -0.5268 -1.2094 40DOPE C33 5114 4.854 1.240 5.780 -0.1285 -0.1086 -0.1962 40DOPE H3X 5115 4.777 1.299 5.835 0.2324 0.7654 -0.6007 40DOPE H3Y 5116 4.840 1.133 5.803 1.1053 -0.0878 0.7011 40DOPE C34 5117 4.829 1.258 5.630 -0.2711 0.1335 -0.1444 40DOPE H4X 5118 4.730 1.215 5.607 0.3060 -1.4323 0.2254 40DOPE H4Y 5119 4.827 1.367 5.607 -0.5475 0.2372 0.3785 40DOPE C35 5120 4.931 1.194 5.535 -0.6752 -0.8339 0.0690 40DOPE H5X 5121 5.036 1.225 5.556 -1.1257 0.6631 0.2557 40DOPE H5Y 5122 4.928 1.084 5.550 -3.0827 -0.7730 0.3831 40DOPE C36 5123 4.917 1.223 5.385 -0.1299 -0.0761 0.1612 40DOPE H6X 5124 4.807 1.218 5.370 -0.6488 0.4555 3.1057 40DOPE H6Y 5125 4.954 1.324 5.355 0.7101 -0.1694 0.8127 40DOPE C37 5126 4.987 1.119 5.298 0.1508 0.1622 0.1008 40DOPE H7X 5127 5.091 1.121 5.339 0.4943 -0.4195 -0.7120 40DOPE H7Y 5128 4.929 1.026 5.314 -2.2832 1.8279 1.6144 40DOPE C38 5129 4.976 1.155 5.150 -0.2598 -0.0071 0.0917 40DOPE H8X 5130 4.870 1.142 5.119 -0.3669 -0.8585 0.7634 40DOPE H8Y 5131 5.011 1.259 5.134 0.7994 -0.0089 2.1112 40DOPE C39 5132 5.057 1.052 5.077 -0.1493 0.4387 -0.4184 40DOPE H9X 5133 5.014 0.951 5.088 -3.4791 1.8457 0.7548 40DOPE C310 5134 5.170 1.069 5.006 0.7616 -0.1991 0.8330 40DOPE H10X 5135 5.214 0.982 4.956 0.6015 -0.6506 1.4602 40DOPE C311 5136 5.231 1.203 4.976 -0.4590 0.1667 -0.0861 40DOPE H11X 5137 5.302 1.242 5.052 -0.7436 -0.3769 0.4686 40DOPE H11Y 5138 5.143 1.272 4.979 -0.0770 0.6380 0.8546 40DOPE C312 5139 5.290 1.209 4.835 -0.5844 -0.0247 -0.1472 40DOPE H12X 5140 5.212 1.182 4.761 -1.2801 -0.5719 0.7520 40DOPE H12Y 5141 5.371 1.133 4.829 0.3283 0.8535 0.7443 40DOPE C313 5142 5.372 1.335 4.805 -0.5494 -0.1138 -0.4285 40DOPE H13X 5143 5.459 1.341 4.875 0.2266 1.1154 -1.4646 40DOPE H13Y 5144 5.320 1.430 4.830 2.5117 1.3887 0.7715 40DOPE C314 5145 5.440 1.344 4.668 0.1218 -0.6054 -0.1330 40DOPE H14X 5146 5.516 1.263 4.665 1.3553 0.5541 -2.6022 40DOPE H14Y 5147 5.481 1.446 4.654 0.0555 -0.5033 0.3856 40DOPE C315 5148 5.353 1.308 4.548 -0.9099 0.5814 0.2350 40DOPE H15X 5149 5.256 1.362 4.545 -0.3892 1.5038 -0.2158 40DOPE H15Y 5150 5.336 1.198 4.546 -0.6903 0.5588 -0.5694 40DOPE C316 5151 5.422 1.335 4.414 -0.5193 0.4079 0.3983 40DOPE H16X 5152 5.448 1.442 4.398 1.5339 -0.0473 0.5028 40DOPE H16Y 5153 5.511 1.269 4.419 -1.0943 -0.4381 -0.1456 40DOPE C317 5154 5.337 1.294 4.294 0.1835 0.2343 -0.0443 40DOPE H17X 5155 5.252 1.364 4.278 0.4823 0.6369 0.1065 40DOPE H17Y 5156 5.304 1.190 4.315 -0.4299 0.6435 1.0958 40DOPE C318 5157 5.418 1.280 4.165 -0.5408 -0.3270 -0.4518 40DOPE H18X 5158 5.469 1.371 4.127 2.0471 -2.7925 -3.4078 40DOPE H18Y 5159 5.500 1.208 4.186 -0.6792 -0.0973 1.0220 40DOPE H18Z 5160 5.365 1.251 4.072 0.7860 1.4494 -1.8400 41DOPE N 5161 4.963 1.284 6.565 -0.1950 -0.1603 -0.1020 41DOPE HN1 5162 5.033 1.212 6.592 1.6267 1.4882 -0.2938 41DOPE HN2 5163 4.905 1.256 6.483 -1.2640 -0.2356 0.6580 41DOPE HN3 5164 5.024 1.364 6.542 2.1409 -1.0584 2.4599 41DOPE C12 5165 4.873 1.316 6.682 0.3657 -0.0071 0.2874 41DOPE H12A 5166 4.826 1.222 6.716 -0.8070 0.4748 0.0462 41DOPE H12B 5167 4.790 1.377 6.641 -0.0289 -1.0978 -0.5742 41DOPE C11 5168 4.940 1.392 6.797 -0.0539 -0.0353 0.5525 41DOPE H11A 5169 5.021 1.333 6.844 -0.9543 -0.8939 1.0646 41DOPE H11B 5170 4.871 1.412 6.881 -0.2304 1.7287 0.0304 41DOPE P 5171 5.146 1.533 6.719 0.4170 0.1995 0.1604 41DOPE O13 5172 5.184 1.419 6.633 -0.2070 0.0221 0.1145 41DOPE O14 5173 5.222 1.561 6.843 0.7357 -0.0060 0.0108 41DOPE O11 5174 5.148 1.666 6.630 -0.7847 -0.2810 -0.6134 41DOPE O12 5175 4.991 1.519 6.756 0.4632 -0.3654 0.1486 41DOPE C1 5176 5.028 1.735 6.591 -0.5086 0.3325 -0.3932 41DOPE HA 5177 5.067 1.835 6.564 1.9451 -0.1841 0.8786 41DOPE HB 5178 4.958 1.734 6.678 -0.1644 -0.7327 -0.1031 41DOPE C2 5179 4.967 1.669 6.467 -0.5901 -0.7429 0.2033 41DOPE HS 5180 4.918 1.581 6.514 0.2722 -1.9468 -1.0807 41DOPE O21 5181 5.057 1.608 6.374 -0.2386 -0.0166 0.0648 41DOPE C21 5182 5.133 1.692 6.302 -0.5748 0.2468 0.0152 41DOPE O22 5183 5.154 1.810 6.327 -0.2607 0.1565 0.1867 41DOPE C22 5184 5.177 1.620 6.176 0.1425 0.5023 0.1157 41DOPE H2R 5185 5.089 1.597 6.112 0.3012 -0.2525 0.1534 41DOPE H2S 5186 5.216 1.521 6.206 3.4250 1.5326 -0.3579 41DOPE C3 5187 4.861 1.758 6.400 0.0606 -0.3664 -0.3418 41DOPE HX 5188 4.910 1.845 6.351 -0.5682 -0.8703 -1.9153 41DOPE HY 5189 4.775 1.790 6.464 -0.6508 -2.2041 -0.3211 41DOPE O31 5190 4.796 1.678 6.301 -0.3930 -0.4066 -0.0191 41DOPE C31 5191 4.826 1.704 6.173 -0.3997 0.1969 0.0991 41DOPE O32 5192 4.896 1.798 6.141 0.2285 -0.2438 0.1715 41DOPE C32 5193 4.784 1.589 6.082 0.0638 0.3857 -0.3531 41DOPE H2X 5194 4.869 1.518 6.077 0.0490 0.4289 -1.7431 41DOPE H2Y 5195 4.701 1.535 6.131 0.1610 -0.3427 -0.9761 41DOPE C23 5196 5.283 1.699 6.099 0.3876 -0.0821 -0.1556 41DOPE H3R 5197 5.353 1.749 6.170 0.2753 -0.7160 0.4096 41DOPE H3S 5198 5.234 1.787 6.052 0.4114 -0.6278 -1.2247 41DOPE C24 5199 5.363 1.628 5.990 0.1343 -0.3795 -0.1463 41DOPE H4R 5200 5.402 1.539 6.045 0.5701 0.6064 1.1816 41DOPE H4S 5201 5.451 1.688 5.961 -0.7748 -0.3050 -3.1297 41DOPE C25 5202 5.278 1.582 5.871 -0.3277 0.3835 -0.1193 41DOPE H5R 5203 5.209 1.663 5.839 -3.6164 -2.1062 0.0805 41DOPE H5S 5204 5.207 1.503 5.904 -2.3572 2.1175 -0.1416 41DOPE C26 5205 5.357 1.529 5.751 0.0760 0.3548 0.1573 41DOPE H6R 5206 5.411 1.437 5.780 -2.0529 -1.0796 -0.1632 41DOPE H6S 5207 5.419 1.616 5.721 -0.3973 0.5431 -0.3068 41DOPE C27 5208 5.259 1.490 5.640 0.3743 0.4163 -0.1264 41DOPE H7R 5209 5.182 1.570 5.643 -1.6049 -1.4477 2.8224 41DOPE H7S 5210 5.210 1.394 5.666 -0.4134 0.9204 0.2796 41DOPE C28 5211 5.325 1.494 5.502 0.1824 -0.0742 -0.2357 41DOPE H8R 5212 5.417 1.432 5.512 0.0081 -0.3475 -0.3251 41DOPE H8S 5213 5.356 1.599 5.481 -0.0260 -0.5104 -3.1151 41DOPE C29 5214 5.232 1.443 5.396 -0.3279 -0.0829 0.2180 41DOPE H9R 5215 5.196 1.340 5.412 0.6981 -0.4121 0.4571 41DOPE C210 5216 5.183 1.512 5.293 -0.0376 0.1520 0.2367 41DOPE H10R 5217 5.111 1.460 5.228 1.3309 0.0297 -1.2544 41DOPE C211 5218 5.225 1.652 5.259 -0.2435 0.0856 -0.3067 41DOPE H11R 5219 5.290 1.697 5.337 0.6378 -1.1117 -0.3184 41DOPE H11S 5220 5.146 1.725 5.231 -0.2210 0.7898 1.3481 41DOPE C212 5221 5.311 1.646 5.132 -0.7623 0.1579 -0.6620 41DOPE H12R 5222 5.249 1.633 5.040 -2.7739 0.6640 0.5451 41DOPE H12S 5223 5.387 1.566 5.140 -3.1510 -2.0249 4.6933 41DOPE C213 5224 5.401 1.768 5.111 -0.2446 -0.1265 -0.1009 41DOPE H13R 5225 5.460 1.789 5.203 -0.5889 -2.1896 0.6529 41DOPE H13S 5226 5.333 1.856 5.104 -1.9252 -1.4875 -1.8558 41DOPE C214 5227 5.484 1.751 4.984 -0.1922 -0.0616 -0.0757 41DOPE H14R 5228 5.544 1.842 4.961 0.6371 -0.9891 -1.8277 41DOPE H14S 5229 5.422 1.741 4.892 0.6154 -0.4497 -0.5900 41DOPE C215 5230 5.587 1.637 4.987 0.3256 0.4032 -0.0169 41DOPE H15R 5231 5.635 1.634 5.087 0.0838 -0.7178 0.0746 41DOPE H15S 5232 5.523 1.547 4.973 0.7405 -0.6426 3.8245 41DOPE C216 5233 5.692 1.654 4.877 0.1828 0.5758 -0.1281 41DOPE H16R 5234 5.768 1.722 4.921 0.1897 -0.6256 1.8414 41DOPE H16S 5235 5.652 1.699 4.784 -2.7570 2.2932 1.8078 41DOPE C217 5236 5.758 1.517 4.859 -0.1226 0.4034 0.0480 41DOPE H17R 5237 5.685 1.438 4.832 -0.7932 0.5616 1.3141 41DOPE H17S 5238 5.812 1.489 4.952 1.7632 0.5843 -0.9274 41DOPE C218 5239 5.866 1.516 4.751 0.0178 -0.0667 0.1915 41DOPE H18R 5240 5.939 1.593 4.782 -0.1283 0.2490 -0.2270 41DOPE H18S 5241 5.816 1.541 4.655 0.8108 -1.0478 -0.4996 41DOPE H18T 5242 5.917 1.417 4.753 0.7451 0.2533 -1.0737 41DOPE C33 5243 4.731 1.624 5.943 -0.5516 -0.0282 -0.2259 41DOPE H3X 5244 4.639 1.686 5.939 0.4155 1.5582 0.9202 41DOPE H3Y 5245 4.705 1.525 5.901 -0.4181 -0.1237 -0.0844 41DOPE C34 5246 4.844 1.683 5.858 -0.6064 0.4091 -0.0012 41DOPE H4X 5247 4.866 1.791 5.870 -1.8309 0.8345 -1.3480 41DOPE H4Y 5248 4.936 1.630 5.892 -0.5112 1.1064 0.8575 41DOPE C35 5249 4.830 1.650 5.709 -0.1486 0.3683 -0.0393 41DOPE H5X 5250 4.722 1.665 5.684 -0.6279 1.3442 2.3312 41DOPE H5Y 5251 4.870 1.549 5.687 0.2297 0.7431 -1.1371 41DOPE C36 5252 4.919 1.730 5.614 0.6801 -0.4343 0.0518 41DOPE H6X 5253 4.914 1.840 5.632 -1.2719 -0.4746 -0.0419 41DOPE H6Y 5254 5.017 1.696 5.654 0.8447 0.0443 0.0605 41DOPE C37 5255 4.906 1.693 5.466 -0.0612 -0.1290 0.0327 41DOPE H7X 5256 4.995 1.729 5.411 -0.7932 1.3505 -0.2123 41DOPE H7Y 5257 4.914 1.582 5.464 -2.3828 -0.3584 0.6161 41DOPE C38 5258 4.787 1.741 5.383 -0.0360 -0.4254 -0.1778 41DOPE H8X 5259 4.691 1.722 5.435 0.9033 0.2413 1.9469 41DOPE H8Y 5260 4.802 1.851 5.382 -1.1073 -0.2714 -1.1460 41DOPE C39 5261 4.776 1.699 5.240 0.1587 0.2221 -0.3877 41DOPE H9X 5262 4.798 1.595 5.212 -1.0224 -0.1413 -0.0092 41DOPE C310 5263 4.727 1.773 5.139 0.1066 0.1235 -0.4355 41DOPE H10X 5264 4.739 1.725 5.041 2.0052 -0.3347 -0.0083 41DOPE C311 5265 4.680 1.915 5.146 0.1074 0.1135 -0.1816 41DOPE H11X 5266 4.572 1.926 5.121 -0.0963 4.4167 1.6829 41DOPE H11Y 5267 4.690 1.958 5.248 -1.2297 0.5296 -0.1996 41DOPE C312 5268 4.766 2.003 5.054 0.3649 -0.0855 -0.1313 41DOPE H12X 5269 4.874 1.995 5.076 0.4182 0.8525 0.0032 41DOPE H12Y 5270 4.756 1.957 4.954 1.6081 0.0318 -0.3231 41DOPE C313 5271 4.719 2.149 5.054 0.1285 -0.1610 -0.2709 41DOPE H13X 5272 4.749 2.177 5.157 0.4175 0.0968 -0.4223 41DOPE H13Y 5273 4.776 2.203 4.975 0.1693 0.9809 0.5144 41DOPE C314 5274 4.577 2.182 5.008 -0.2228 0.2145 1.0390 41DOPE H14X 5275 4.551 2.144 4.906 0.7457 -0.0792 0.8933 41DOPE H14Y 5276 4.508 2.141 5.085 -1.5392 -0.5668 -0.4829 41DOPE C315 5277 4.555 2.331 4.984 -0.1625 -0.0313 -0.6709 41DOPE H15X 5278 4.607 2.345 4.886 -1.4341 0.0532 -1.3514 41DOPE H15Y 5279 4.602 2.386 5.068 -2.5232 -1.6056 1.8173 41DOPE C316 5280 4.410 2.377 4.974 -0.2769 -0.2471 -0.0547 41DOPE H16X 5281 4.402 2.486 4.953 -2.5098 -0.3157 0.1539 41DOPE H16Y 5282 4.359 2.323 4.891 1.7521 -0.5249 -1.1841 41DOPE C317 5283 4.333 2.360 5.105 0.2232 -0.6266 0.1904 41DOPE H17X 5284 4.316 2.251 5.121 1.4334 -0.8141 0.3061 41DOPE H17Y 5285 4.406 2.389 5.184 0.1881 -0.0899 0.0330 41DOPE C318 5286 4.193 2.421 5.099 0.3963 -0.2200 0.2245 41DOPE H18X 5287 4.132 2.397 5.009 0.0860 0.6266 0.2001 41DOPE H18Y 5288 4.193 2.531 5.110 1.1322 -0.2666 0.7301 41DOPE H18Z 5289 4.127 2.389 5.182 -2.0777 0.0645 -1.5284 42DOPE N 5290 5.488 1.973 6.562 0.3769 -0.0012 1.0200 42DOPE HN1 5291 5.433 2.060 6.551 -3.2858 -2.1897 0.3854 42DOPE HN2 5292 5.564 1.983 6.632 0.7066 -2.7954 1.2026 42DOPE HN3 5293 5.547 1.972 6.476 -0.4767 -1.2851 0.4096 42DOPE C12 5294 5.406 1.852 6.601 -0.1887 -0.0434 -0.2210 42DOPE H12A 5295 5.307 1.885 6.564 0.6896 1.5417 -1.3044 42DOPE H12B 5296 5.412 1.840 6.712 -0.8349 0.0693 -0.1692 42DOPE C11 5297 5.456 1.724 6.533 -0.2454 -0.3819 0.3683 42DOPE H11A 5298 5.455 1.729 6.422 -1.0993 -0.3914 0.3737 42DOPE H11B 5299 5.391 1.638 6.559 -1.0486 0.2339 0.4095 42DOPE P 5300 5.634 1.565 6.624 0.2114 0.0384 0.0936 42DOPE O13 5301 5.660 1.562 6.770 0.1264 -0.2250 0.1037 42DOPE O14 5302 5.539 1.461 6.578 -0.2553 0.4750 0.0716 42DOPE O11 5303 5.774 1.539 6.551 0.0643 0.0041 -0.1785 42DOPE O12 5304 5.592 1.712 6.577 -0.0640 -0.1055 -0.1094 42DOPE C1 5305 5.870 1.645 6.544 -0.2038 0.2841 0.3524 42DOPE HA 5306 5.967 1.596 6.564 -0.2805 -0.3286 -0.7125 42DOPE HB 5307 5.853 1.724 6.621 -0.5814 -1.7975 2.5273 42DOPE C2 5308 5.869 1.723 6.411 0.2096 -0.2774 0.0216 42DOPE HS 5309 5.789 1.798 6.427 0.3231 -0.4344 1.4233 42DOPE O21 5310 5.846 1.630 6.304 0.0125 -0.3395 0.1178 42DOPE C21 5311 5.729 1.635 6.242 0.2983 0.2373 -0.3862 42DOPE O22 5312 5.641 1.715 6.269 0.1195 -0.0581 -0.0844 42DOPE C22 5313 5.717 1.540 6.123 -0.2227 0.1180 -0.2446 42DOPE H2R 5314 5.609 1.520 6.109 -0.0124 -1.4492 0.2240 42DOPE H2S 5315 5.788 1.455 6.135 -1.8884 -0.9880 2.7998 42DOPE C3 5316 6.007 1.788 6.391 -0.0453 0.3095 0.1816 42DOPE HX 5317 6.073 1.700 6.378 -1.0590 -0.4662 0.2124 42DOPE HY 5318 6.027 1.848 6.483 -0.5555 0.1950 0.3708 42DOPE O31 5319 6.010 1.862 6.268 -0.1118 0.0511 0.0246 42DOPE C31 5320 5.936 1.972 6.276 -0.2964 -0.0536 -0.2328 42DOPE O32 5321 5.892 2.013 6.382 -0.1200 0.3827 -0.3284 42DOPE C32 5322 5.942 2.041 6.141 0.7294 0.1321 -0.0993 42DOPE H2X 5323 5.909 2.147 6.150 0.6733 0.1286 -0.2601 42DOPE H2Y 5324 6.049 2.037 6.112 1.1906 0.4201 1.4991 42DOPE C23 5325 5.760 1.618 5.998 0.4328 -0.3985 -0.3518 42DOPE H3R 5326 5.865 1.652 6.005 0.9100 -2.0353 1.1326 42DOPE H3S 5327 5.699 1.711 5.992 0.7337 0.0094 1.8150 42DOPE C24 5328 5.734 1.528 5.878 -0.6189 0.1294 -0.5406 42DOPE H4R 5329 5.630 1.490 5.878 -1.2032 1.6079 1.3983 42DOPE H4S 5330 5.806 1.443 5.887 1.2997 1.7650 0.4704 42DOPE C25 5331 5.747 1.595 5.740 -0.3637 0.7979 -0.1966 42DOPE H5R 5332 5.844 1.650 5.737 0.0413 0.1113 -0.0036 42DOPE H5S 5333 5.666 1.670 5.733 -0.1619 1.0761 0.3381 42DOPE C26 5334 5.733 1.487 5.632 0.1881 0.1538 0.3582 42DOPE H6R 5335 5.644 1.425 5.655 1.8167 -3.0429 -1.3748 42DOPE H6S 5336 5.819 1.417 5.628 -1.3053 -1.8384 1.7251 42DOPE C27 5337 5.715 1.561 5.499 0.5820 -0.0474 0.1928 42DOPE H7R 5338 5.637 1.636 5.522 -0.2414 -0.6958 -0.4128 42DOPE H7S 5339 5.661 1.493 5.429 -1.0790 2.6634 -1.3289 42DOPE C28 5340 5.836 1.621 5.427 0.3177 0.2205 -0.0319 42DOPE H8R 5341 5.889 1.536 5.378 1.4116 -0.5944 2.4031 42DOPE H8S 5342 5.905 1.675 5.496 -1.0823 -0.7672 2.2765 42DOPE C29 5343 5.791 1.718 5.322 -0.2852 -0.2628 -0.2223 42DOPE H9R 5344 5.698 1.774 5.342 0.2366 -0.1377 2.1185 42DOPE C210 5345 5.848 1.744 5.204 -0.1228 0.0264 -0.0791 42DOPE H10R 5346 5.797 1.825 5.148 -2.0493 -0.8481 0.3363 42DOPE C211 5347 5.982 1.697 5.154 0.1453 0.8658 -0.1677 42DOPE H11R 5348 5.973 1.699 5.044 -0.5407 0.7002 -0.1196 42DOPE H11S 5349 5.999 1.594 5.190 2.4011 1.6503 1.2525 42DOPE C212 5350 6.096 1.781 5.212 0.5699 -0.2937 0.7210 42DOPE H12R 5351 6.118 1.740 5.313 -1.1057 -1.1113 0.7894 42DOPE H12S 5352 6.066 1.888 5.213 1.6674 0.0793 -0.8285 42DOPE C213 5353 6.226 1.770 5.131 0.1558 0.4659 -0.0647 42DOPE H13R 5354 6.248 1.664 5.107 -1.2455 -0.0229 0.6752 42DOPE H13S 5355 6.309 1.800 5.198 -0.0279 2.4042 -0.6323 42DOPE C214 5356 6.241 1.861 5.009 0.2615 0.6786 0.1059 42DOPE H14R 5357 6.237 1.970 5.033 -0.6152 1.5235 -3.3129 42DOPE H14S 5358 6.157 1.837 4.940 1.0303 0.0301 -0.6222 42DOPE C215 5359 6.371 1.844 4.931 0.0694 -0.4106 0.0114 42DOPE H15R 5360 6.371 1.738 4.896 -0.7242 -0.3859 -0.0793 42DOPE H15S 5361 6.453 1.865 5.003 2.0592 -2.0531 -1.6394 42DOPE C216 5362 6.382 1.952 4.823 -0.3724 -0.0855 0.2861 42DOPE H16R 5363 6.366 2.050 4.872 -0.3413 0.3112 -0.4865 42DOPE H16S 5364 6.307 1.932 4.744 -0.1063 -0.3452 0.0923 42DOPE C217 5365 6.523 1.959 4.763 -0.3890 -0.1373 0.2403 42DOPE H17R 5366 6.537 1.861 4.713 -1.5574 -0.1132 -0.1647 42DOPE H17S 5367 6.594 1.965 4.849 -0.6496 0.6717 0.4135 42DOPE C218 5368 6.547 2.076 4.667 0.3821 -0.5490 -0.0827 42DOPE H18R 5369 6.536 2.175 4.717 1.6336 -1.2283 1.6583 42DOPE H18S 5370 6.476 2.081 4.582 -0.2036 0.4569 0.4301 42DOPE H18T 5371 6.653 2.063 4.637 -0.4611 -0.8931 -3.2227 42DOPE C33 5372 5.865 1.966 6.032 0.4183 0.0591 0.1688 42DOPE H3X 5373 5.757 1.961 6.056 0.1214 0.7442 -0.9298 42DOPE H3Y 5374 5.907 1.864 6.013 1.0083 0.3263 0.0296 42DOPE C34 5375 5.867 2.040 5.898 0.0335 0.0305 0.1476 42DOPE H4X 5376 5.964 2.040 5.844 -0.7643 0.5038 -1.3445 42DOPE H4Y 5377 5.834 2.144 5.918 -1.6452 -1.0879 4.3472 42DOPE C35 5378 5.757 1.995 5.802 0.0533 0.1380 0.0744 42DOPE H5X 5379 5.658 1.998 5.853 0.5736 -1.9995 1.3188 42DOPE H5Y 5380 5.782 1.888 5.786 -1.5256 -0.4480 1.2992 42DOPE C36 5381 5.754 2.070 5.669 0.0467 -0.4790 -0.2787 42DOPE H6X 5382 5.662 2.132 5.673 1.4553 1.6457 1.1588 42DOPE H6Y 5383 5.837 2.139 5.642 -0.9079 0.0270 -2.1618 42DOPE C37 5384 5.749 1.979 5.546 0.1179 -0.4480 -0.3048 42DOPE H7X 5385 5.839 1.914 5.542 -0.9346 -2.1109 1.2423 42DOPE H7Y 5386 5.658 1.915 5.555 0.4188 -0.8519 -0.1201 42DOPE C38 5387 5.717 2.047 5.413 0.1065 0.7440 0.2941 42DOPE H8X 5388 5.669 1.974 5.344 1.8722 -1.8027 1.5916 42DOPE H8Y 5389 5.651 2.135 5.431 0.2975 0.6323 1.6054 42DOPE C39 5390 5.848 2.096 5.357 0.2223 0.3034 0.1761 42DOPE H9X 5391 5.917 2.014 5.331 0.3595 0.5256 -0.1535 42DOPE C310 5392 5.886 2.221 5.331 0.0387 0.2810 -0.2070 42DOPE H10X 5393 5.984 2.240 5.285 0.5756 0.5621 1.0198 42DOPE C311 5394 5.802 2.340 5.366 -0.0037 0.2831 -0.3162 42DOPE H11X 5395 5.774 2.337 5.473 -0.2000 -0.8876 -0.3947 42DOPE H11Y 5396 5.708 2.335 5.307 0.0620 -0.1127 -0.3861 42DOPE C312 5397 5.867 2.478 5.352 -0.1594 0.3419 -0.4735 42DOPE H12X 5398 5.799 2.566 5.347 -0.9618 -0.2542 -0.2994 42DOPE H12Y 5399 5.919 2.470 5.255 -0.7815 -3.6795 -0.6322 42DOPE C313 5400 5.971 2.514 5.458 0.1170 0.0899 -0.6587 42DOPE H13X 5401 6.045 2.433 5.472 2.2453 2.0909 0.4289 42DOPE H13Y 5402 5.929 2.533 5.560 1.7128 -0.0024 0.0435 42DOPE C314 5403 6.044 2.641 5.414 0.4509 0.0913 -0.1146 42DOPE H14X 5404 5.969 2.722 5.416 0.3725 -0.0016 1.6764 42DOPE H14Y 5405 6.093 2.637 5.314 2.2651 1.9363 0.6286 42DOPE C315 5406 6.152 2.689 5.511 -0.1963 0.3912 0.4668 42DOPE H15X 5407 6.187 2.783 5.463 1.2666 -0.9786 -1.3296 42DOPE H15Y 5408 6.104 2.711 5.608 1.7697 1.3468 1.2887 42DOPE C316 5409 6.269 2.591 5.527 -0.2411 0.1434 -0.6471 42DOPE H16X 5410 6.321 2.635 5.615 -0.9855 -0.4840 0.1114 42DOPE H16Y 5411 6.229 2.495 5.563 -0.4096 -0.1012 -1.4760 42DOPE C317 5412 6.369 2.574 5.412 0.3444 0.2292 -0.1521 42DOPE H17X 5413 6.410 2.675 5.388 1.8897 -1.0942 -3.7356 42DOPE H17Y 5414 6.318 2.531 5.324 -0.3313 -1.5483 1.0603 42DOPE C318 5415 6.483 2.481 5.455 0.0858 -0.1602 -0.3112 42DOPE H18X 5416 6.556 2.525 5.526 -1.6555 -0.3845 1.7318 42DOPE H18Y 5417 6.436 2.392 5.503 1.0767 -0.7132 -0.3318 42DOPE H18Z 5418 6.540 2.453 5.364 1.2745 0.0814 0.3468 43DOPE N 5419 0.228 0.003 6.800 -0.2393 0.2744 -0.2704 43DOPE HN1 5420 0.134 -0.039 6.815 -0.7431 1.3064 -0.4178 43DOPE HN2 5421 0.311 -0.053 6.827 -0.8328 -0.3164 0.3958 43DOPE HN3 5422 0.233 0.091 6.855 -1.2749 1.3666 -1.8531 43DOPE C12 5423 0.217 0.039 6.654 0.7405 0.1979 -0.3647 43DOPE H12A 5424 0.320 0.058 6.616 0.4217 1.4213 -0.6403 43DOPE H12B 5425 0.155 0.128 6.635 -0.6200 -0.9679 -1.5834 43DOPE C11 5426 0.153 -0.073 6.572 0.1647 0.2364 0.0261 43DOPE H11A 5427 0.232 -0.150 6.563 -0.3352 -0.0842 -2.0981 43DOPE H11B 5428 0.134 -0.024 6.474 -0.5640 1.8758 0.9363 43DOPE P 5429 -0.104 -0.102 6.567 -0.3491 0.0412 0.0058 43DOPE O13 5430 -0.101 0.039 6.525 0.1469 0.0260 -0.0219 43DOPE O14 5431 -0.216 -0.138 6.657 -0.2021 -0.0314 0.1621 43DOPE O11 5432 -0.114 -0.200 6.441 0.0256 -0.1735 0.1397 43DOPE O12 5433 0.038 -0.129 6.636 -0.1479 0.6551 -0.1634 43DOPE C1 5434 -0.049 -0.326 6.429 -0.4240 -0.3650 -0.3576 43DOPE HA 5435 -0.116 -0.402 6.384 -1.5853 -0.7076 1.8297 43DOPE HB 5436 -0.024 -0.367 6.530 -1.1477 -1.9618 -0.7988 43DOPE C2 5437 0.083 -0.325 6.351 -0.1905 0.0918 0.0345 43DOPE HS 5438 0.161 -0.290 6.422 0.6236 -0.8367 -0.3828 43DOPE O21 5439 0.072 -0.233 6.241 0.0990 -0.1482 -0.1973 43DOPE C21 5440 0.191 -0.198 6.191 0.3056 -0.2322 0.2221 43DOPE O22 5441 0.298 -0.212 6.247 0.4997 -0.1370 -0.1184 43DOPE C22 5442 0.164 -0.112 6.068 -0.1769 -0.6437 0.0328 43DOPE H2R 5443 0.255 -0.055 6.039 0.3305 -1.5165 -0.1174 43DOPE H2S 5444 0.078 -0.045 6.089 0.5645 0.0203 1.0691 43DOPE C3 5445 0.127 -0.465 6.307 0.5284 0.3401 -0.0688 43DOPE HX 5446 0.072 -0.547 6.358 0.8637 -2.1545 -3.3555 43DOPE HY 5447 0.236 -0.483 6.319 0.1423 -2.4404 -0.0141 43DOPE O31 5448 0.105 -0.498 6.169 -0.1597 0.0401 0.1074 43DOPE C31 5449 0.151 -0.613 6.118 0.1865 0.4575 -0.5348 43DOPE O32 5450 0.226 -0.691 6.174 -0.8738 -0.0479 0.2244 43DOPE C32 5451 0.100 -0.633 5.976 -0.0503 -0.1753 -0.3630 43DOPE H2X 5452 -0.008 -0.608 5.970 -0.3234 -0.8965 1.1362 43DOPE H2Y 5453 0.155 -0.569 5.904 -1.3581 0.3444 -0.9212 43DOPE C23 5454 0.124 -0.202 5.952 -0.0098 -0.0711 -0.4772 43DOPE H3R 5455 0.071 -0.290 5.994 0.4966 -0.3930 -0.5047 43DOPE H3S 5456 0.206 -0.252 5.895 -1.2783 -1.6213 -1.0267 43DOPE C24 5457 0.039 -0.135 5.844 0.0469 -0.0215 -0.4906 43DOPE H4R 5458 0.087 -0.039 5.815 -0.3222 -0.0628 -1.2684 43DOPE H4S 5459 -0.066 -0.112 5.871 0.0068 -1.4369 0.6523 43DOPE C25 5460 0.030 -0.225 5.720 0.3163 -0.3669 -0.2613 43DOPE H5R 5461 -0.020 -0.320 5.747 -0.0201 -0.3536 -0.8170 43DOPE H5S 5462 0.130 -0.244 5.676 0.8016 -0.9673 1.0476 43DOPE C26 5463 -0.066 -0.170 5.614 -0.4239 -0.0129 0.5809 43DOPE H6R 5464 -0.024 -0.071 5.587 1.3632 -1.3345 -1.8254 43DOPE H6S 5465 -0.161 -0.142 5.665 -0.5444 0.7890 -0.0679 43DOPE C27 5466 -0.088 -0.261 5.493 0.0821 0.5060 0.0914 43DOPE H7R 5467 -0.081 -0.363 5.536 0.6953 -0.5590 -2.3731 43DOPE H7S 5468 0.002 -0.247 5.429 -1.4266 2.8022 -1.6841 43DOPE C28 5469 -0.212 -0.240 5.406 -0.2609 0.1017 0.4771 43DOPE H8R 5470 -0.204 -0.148 5.344 -1.1147 -0.5140 -0.5665 43DOPE H8S 5471 -0.303 -0.226 5.469 -1.7472 -0.4827 -1.4424 43DOPE C29 5472 -0.238 -0.364 5.326 0.6157 0.0961 0.1918 43DOPE H9R 5473 -0.214 -0.456 5.380 -0.9917 -0.2892 0.3073 43DOPE C210 5474 -0.296 -0.370 5.205 -0.2697 0.1491 0.6099 43DOPE H10R 5475 -0.315 -0.465 5.154 -1.0858 1.4158 -1.6004 43DOPE C211 5476 -0.327 -0.252 5.117 0.4931 -0.0556 0.0591 43DOPE H11R 5477 -0.334 -0.154 5.169 -0.0458 -0.7761 1.4069 43DOPE H11S 5478 -0.433 -0.266 5.086 0.4695 0.1208 0.0584 43DOPE C212 5479 -0.229 -0.259 5.000 0.3758 -0.1113 -0.0364 43DOPE H12R 5480 -0.239 -0.360 4.953 -1.8389 0.3784 -0.6994 43DOPE H12S 5481 -0.123 -0.261 5.035 0.4301 -0.8306 -0.2229 43DOPE C213 5482 -0.253 -0.159 4.887 0.1047 -0.4225 -0.2544 43DOPE H13R 5483 -0.252 -0.056 4.928 -2.5812 -0.3932 -0.0864 43DOPE H13S 5484 -0.355 -0.168 4.842 0.2903 -2.0418 -0.4138 43DOPE C214 5485 -0.148 -0.174 4.777 -0.0879 0.0569 -0.5048 43DOPE H14R 5486 -0.171 -0.271 4.730 0.9265 -0.5975 0.3048 43DOPE H14S 5487 -0.049 -0.183 4.827 1.4022 -1.0038 -3.4448 43DOPE C215 5488 -0.155 -0.066 4.669 0.0406 0.1291 -0.4411 43DOPE H15R 5489 -0.081 0.010 4.704 1.1129 -1.0884 0.0075 43DOPE H15S 5490 -0.259 -0.026 4.670 0.6199 1.7396 -0.3471 43DOPE C216 5491 -0.116 -0.120 4.532 -0.3934 -0.1488 -0.4560 43DOPE H16R 5492 -0.188 -0.201 4.507 -0.3385 -0.3558 0.0389 43DOPE H16S 5493 -0.018 -0.172 4.525 -0.3381 -0.2548 0.9099 43DOPE C217 5494 -0.120 -0.011 4.424 -0.9457 0.0464 -0.2437 43DOPE H17R 5495 -0.069 0.083 4.451 -0.1560 -0.8336 1.5400 43DOPE H17S 5496 -0.227 0.016 4.440 -0.4898 1.1713 1.1179 43DOPE C218 5497 -0.090 -0.060 4.282 -0.4678 0.6808 -0.3636 43DOPE H18R 5498 -0.117 0.013 4.202 -0.1099 1.8333 0.5369 43DOPE H18S 5499 -0.136 -0.160 4.268 -2.2821 1.3548 0.3667 43DOPE H18T 5500 0.020 -0.074 4.276 -0.5581 -0.5177 0.4008 43DOPE C33 5501 0.119 -0.772 5.914 -0.2831 -0.3127 -0.1251 43DOPE H3X 5502 0.071 -0.843 5.986 0.1393 0.9466 1.4512 43DOPE H3Y 5503 0.227 -0.796 5.906 0.2497 1.8840 -0.1829 43DOPE C34 5504 0.042 -0.798 5.784 -0.3091 0.3101 -0.2367 43DOPE H4X 5505 -0.068 -0.797 5.794 -0.2447 0.9900 0.5246 43DOPE H4Y 5506 0.064 -0.711 5.718 -1.3231 1.6800 1.1514 43DOPE C35 5507 0.082 -0.922 5.703 -0.1179 0.2369 -0.0329 43DOPE H5X 5508 0.030 -1.011 5.744 1.4050 -1.3187 -1.3691 43DOPE H5Y 5509 0.191 -0.939 5.707 0.1219 1.7465 0.8011 43DOPE C36 5510 0.026 -0.911 5.561 -0.4197 -0.1049 0.0572 43DOPE H6X 5511 -0.085 -0.921 5.562 -0.8542 3.1961 -0.6511 43DOPE H6Y 5512 0.056 -0.816 5.512 -0.1999 -0.3647 -0.3158 43DOPE C37 5513 0.075 -1.029 5.477 -0.2465 -0.0619 0.0959 43DOPE H7X 5514 0.183 -1.021 5.455 -0.5334 0.1544 -1.3274 43DOPE H7Y 5515 0.065 -1.116 5.545 2.2105 -0.3583 0.1708 43DOPE C38 5516 0.002 -1.046 5.343 -0.1417 -0.0772 0.0399 43DOPE H8X 5517 0.036 -1.138 5.291 0.6069 0.2866 -0.1332 43DOPE H8Y 5518 -0.103 -1.069 5.370 -0.4121 -0.3253 -1.1790 43DOPE C39 5519 0.004 -0.926 5.253 0.4118 -0.0876 0.0323 43DOPE H9X 5520 -0.034 -0.837 5.305 1.3699 -0.2531 1.0427 43DOPE C310 5521 0.063 -0.917 5.133 -0.3709 0.4222 -0.3254 43DOPE H10X 5522 0.069 -0.820 5.082 -1.4033 0.2069 -0.8836 43DOPE C311 5523 0.125 -1.034 5.062 -0.2152 0.1289 0.2871 43DOPE H11X 5524 0.193 -0.986 4.988 0.3066 0.8232 1.1966 43DOPE H11Y 5525 0.190 -1.093 5.130 -2.1547 -3.4208 -0.7022 43DOPE C312 5526 0.018 -1.122 4.997 0.1029 0.1421 -0.2598 43DOPE H12X 5527 -0.018 -1.193 5.074 -0.2816 2.1144 1.4751 43DOPE H12Y 5528 -0.061 -1.054 4.960 -2.5445 -2.1010 0.9812 43DOPE C313 5529 0.066 -1.222 4.891 0.3515 0.0067 -0.0204 43DOPE H13X 5530 -0.017 -1.271 4.835 2.1267 -1.4333 -1.5344 43DOPE H13Y 5531 0.129 -1.173 4.813 -0.0797 2.2973 0.9762 43DOPE C314 5532 0.153 -1.335 4.948 -0.0284 0.0062 0.5608 43DOPE H14X 5533 0.235 -1.274 4.992 -0.0738 -0.1786 0.9046 43DOPE H14Y 5534 0.103 -1.382 5.036 -2.2328 0.0264 -0.5968 43DOPE C315 5535 0.212 -1.430 4.845 -0.5199 0.0968 0.1933 43DOPE H15X 5536 0.248 -1.373 4.756 -2.9654 -0.6516 -1.3978 43DOPE H15Y 5537 0.140 -1.504 4.803 -0.1047 -0.8102 1.0364 43DOPE C316 5538 0.322 -1.503 4.922 -0.5233 0.0648 0.1678 43DOPE H16X 5539 0.394 -1.431 4.967 0.3660 -0.5594 -0.2205 43DOPE H16Y 5540 0.268 -1.557 5.002 -0.9680 0.0643 -0.1306 43DOPE C317 5541 0.403 -1.607 4.845 0.2831 0.5702 0.3221 43DOPE H17X 5542 0.427 -1.575 4.741 -0.9397 -1.3186 -0.6006 43DOPE H17Y 5543 0.341 -1.696 4.823 3.9791 -1.9215 -1.1917 43DOPE C318 5544 0.526 -1.662 4.918 0.4768 -0.1352 -0.5127 43DOPE H18X 5545 0.497 -1.706 5.016 -0.6520 1.9448 0.1655 43DOPE H18Y 5546 0.572 -1.741 4.856 -3.4403 -1.8846 -1.5332 43DOPE H18Z 5547 0.593 -1.574 4.929 1.0006 -0.7452 1.5568 44DOPE N 5548 1.514 5.755 6.398 0.1132 -0.0674 -0.0778 44DOPE HN1 5549 1.594 5.819 6.415 -0.7783 1.0016 0.2010 44DOPE HN2 5550 1.500 5.744 6.296 -0.5253 1.5112 -0.1985 44DOPE HN3 5551 1.426 5.800 6.431 0.0868 -0.0313 -0.1967 44DOPE C12 5552 1.542 5.619 6.457 0.4195 0.0889 0.1400 44DOPE H12A 5553 1.446 5.565 6.474 -0.0127 1.5047 2.7951 44DOPE H12B 5554 1.587 5.640 6.556 0.7891 1.7501 -0.3522 44DOPE C11 5555 1.635 5.537 6.367 -0.0877 -0.1929 -0.1304 44DOPE H11A 5556 1.581 5.485 6.285 1.9457 -0.2518 -1.4769 44DOPE H11B 5557 1.670 5.455 6.434 -0.9703 1.2427 2.1957 44DOPE P 5558 1.879 5.547 6.296 0.0557 -0.2483 0.0570 44DOPE O13 5559 1.844 5.415 6.237 0.0782 -0.2616 0.0739 44DOPE O14 5560 1.960 5.547 6.419 -0.1704 0.0691 0.2063 44DOPE O11 5561 1.949 5.643 6.189 -0.0489 0.1999 0.3882 44DOPE O12 5562 1.740 5.622 6.322 -0.0129 -0.2994 -0.1560 44DOPE C1 5563 1.891 5.681 6.064 0.0669 -0.4063 0.1446 44DOPE HA 5564 1.966 5.746 6.013 0.7336 -0.8763 0.5125 44DOPE HB 5565 1.793 5.733 6.068 0.9765 1.3134 0.8227 44DOPE C2 5566 1.878 5.570 5.959 0.4932 -0.0877 -0.2502 44DOPE HS 5567 1.796 5.497 5.978 0.0929 -0.0661 -1.7607 44DOPE O21 5568 1.999 5.495 5.969 0.6339 0.2210 0.4262 44DOPE C21 5569 1.994 5.365 5.937 0.0384 0.4493 -0.4453 44DOPE O22 5570 1.889 5.308 5.916 0.1889 -0.1071 0.2708 44DOPE C22 5571 2.136 5.313 5.916 -0.0279 0.3660 -0.6876 44DOPE H2R 5572 2.152 5.229 5.987 -1.2436 -1.2070 -2.1802 44DOPE H2S 5573 2.207 5.396 5.930 -0.7978 1.2091 -1.5927 44DOPE C3 5574 1.860 5.621 5.815 0.2843 -0.2324 -0.2778 44DOPE HX 5575 1.947 5.689 5.799 -1.3614 1.5461 -2.2819 44DOPE HY 5576 1.779 5.696 5.802 0.0589 -0.4704 -0.2560 44DOPE O31 5577 1.864 5.519 5.715 0.1098 -0.2415 -0.2747 44DOPE C31 5578 1.751 5.450 5.696 -0.1909 0.2485 -0.2950 44DOPE O32 5579 1.652 5.474 5.763 0.1573 0.1852 0.2541 44DOPE C32 5580 1.772 5.338 5.595 -0.1706 0.0416 -0.0619 44DOPE H2X 5581 1.875 5.344 5.554 -0.0125 0.0437 0.3352 44DOPE H2Y 5582 1.769 5.249 5.661 0.7369 0.4191 0.5050 44DOPE C23 5583 2.135 5.277 5.767 -0.2561 -0.2620 -0.5391 44DOPE H3R 5584 2.110 5.375 5.720 0.2934 0.5521 0.8007 44DOPE H3S 5585 2.053 5.204 5.748 -1.0856 0.9537 -1.8391 44DOPE C24 5586 2.255 5.205 5.707 0.0736 -0.3443 0.2138 44DOPE H4R 5587 2.258 5.099 5.740 -2.1854 -0.2754 0.7943 44DOPE H4S 5588 2.340 5.263 5.750 -0.2665 0.1304 0.2432 44DOPE C25 5589 2.257 5.206 5.554 0.0154 -0.0956 0.2149 44DOPE H5R 5590 2.336 5.132 5.530 -1.8298 -1.5482 -1.7899 44DOPE H5S 5591 2.298 5.300 5.511 1.1627 -0.5143 0.3587 44DOPE C26 5592 2.129 5.151 5.490 -0.1409 0.2198 0.2549 44DOPE H6R 5593 2.043 5.221 5.501 0.8889 1.4317 0.8289 44DOPE H6S 5594 2.101 5.050 5.526 -1.6943 -0.6095 -2.9080 44DOPE C27 5595 2.161 5.144 5.340 -0.0589 0.0022 0.2820 44DOPE H7R 5596 2.246 5.076 5.319 -0.4806 -0.5111 0.2180 44DOPE H7S 5597 2.192 5.245 5.305 0.5968 -1.2249 -2.9688 44DOPE C28 5598 2.038 5.087 5.269 0.3371 -0.5054 -0.0062 44DOPE H8R 5599 1.952 5.157 5.276 -1.1855 -2.0828 -1.8701 44DOPE H8S 5600 2.013 4.993 5.322 2.5089 -0.8203 0.5465 44DOPE C29 5601 2.071 5.069 5.124 -0.0035 0.5664 -0.2308 44DOPE H9R 5602 2.133 5.147 5.079 -3.2296 1.2470 -4.0310 44DOPE C210 5603 2.043 4.961 5.049 -0.4477 0.2315 0.4033 44DOPE H10R 5604 2.077 4.945 4.946 -1.5400 0.6541 -0.0301 44DOPE C211 5605 1.968 4.840 5.097 -0.5374 -0.0029 -0.3161 44DOPE H11R 5606 1.900 4.864 5.182 -0.2972 1.4388 -0.5055 44DOPE H11S 5607 2.026 4.748 5.118 0.0396 -0.3609 -3.0755 44DOPE C212 5608 1.862 4.803 4.993 -0.7516 -0.2734 -0.0045 44DOPE H12R 5609 1.812 4.895 4.955 -2.1844 -1.1695 -0.3651 44DOPE H12S 5610 1.782 4.747 5.046 -0.1280 -0.8295 0.3661 44DOPE C213 5611 1.915 4.716 4.879 -0.0665 0.2731 -0.1062 44DOPE H13R 5612 1.932 4.611 4.910 1.7306 0.8084 0.8775 44DOPE H13S 5613 2.018 4.748 4.852 -0.1172 -0.4557 -1.2136 44DOPE C214 5614 1.830 4.733 4.753 0.2094 -0.0220 -0.3332 44DOPE H14R 5615 1.888 4.683 4.673 0.2247 -2.4869 1.1000 44DOPE H14S 5616 1.824 4.842 4.737 -0.1742 -0.0687 -0.5192 44DOPE C215 5617 1.689 4.674 4.761 -0.1018 0.7766 0.1559 44DOPE H15R 5618 1.615 4.731 4.821 -0.9533 -0.3136 0.1738 44DOPE H15S 5619 1.704 4.574 4.807 -0.0785 0.1209 -1.2049 44DOPE C216 5620 1.622 4.652 4.625 0.5053 0.1703 -0.0491 44DOPE H16R 5621 1.696 4.628 4.546 -0.1141 -2.4470 0.0520 44DOPE H16S 5622 1.569 4.744 4.594 -2.9552 -0.9627 1.8194 44DOPE C217 5623 1.515 4.541 4.622 0.1415 0.5339 -0.8340 44DOPE H17R 5624 1.423 4.583 4.666 -0.5283 -1.5631 -0.1323 44DOPE H17S 5625 1.548 4.456 4.685 2.2445 0.9312 -1.2966 44DOPE C218 5626 1.477 4.496 4.481 -0.5573 -0.2867 -0.3870 44DOPE H18R 5627 1.465 4.580 4.410 -0.3974 -0.4599 -0.6205 44DOPE H18S 5628 1.378 4.448 4.497 -0.6381 0.3656 1.2522 44DOPE H18T 5629 1.539 4.414 4.439 -0.0450 0.6362 -1.4554 44DOPE C33 5630 1.657 5.341 5.494 0.0234 0.1736 -0.2786 44DOPE H3X 5631 1.661 5.435 5.434 1.9370 -0.2938 -0.9729 44DOPE H3Y 5632 1.553 5.340 5.533 0.0144 0.1663 -0.3026 44DOPE C34 5633 1.672 5.230 5.391 -0.0534 -0.1444 0.0523 44DOPE H4X 5634 1.774 5.247 5.350 -0.0327 2.2964 0.9985 44DOPE H4Y 5635 1.672 5.133 5.446 1.1946 0.4693 1.1856 44DOPE C35 5636 1.569 5.225 5.279 0.0830 -0.2848 -0.0684 44DOPE H5X 5637 1.579 5.325 5.230 0.4492 -0.3697 -0.1694 44DOPE H5Y 5638 1.466 5.207 5.318 -0.2819 0.7765 -0.5025 44DOPE C36 5639 1.608 5.115 5.179 -0.5759 -0.7647 0.1918 44DOPE H6X 5640 1.621 5.019 5.232 2.0104 -1.2367 -1.1639 44DOPE H6Y 5641 1.710 5.140 5.143 0.6646 -0.5490 3.5037 44DOPE C37 5642 1.502 5.098 5.070 -0.2064 0.5556 -0.3954 44DOPE H7X 5643 1.423 5.036 5.118 -0.8411 0.6837 -1.2592 44DOPE H7Y 5644 1.469 5.196 5.028 0.3907 0.2464 -1.6367 44DOPE C38 5645 1.561 5.012 4.958 -0.4636 -0.7899 0.4834 44DOPE H8X 5646 1.575 4.915 5.011 -1.5365 -1.6899 -0.8121 44DOPE H8Y 5647 1.656 5.062 4.928 -0.6515 0.4211 1.7987 44DOPE C39 5648 1.466 4.992 4.844 0.1181 -0.5771 -0.0447 44DOPE H9X 5649 1.373 4.940 4.873 -1.9701 0.8207 -3.5141 44DOPE C310 5650 1.478 5.033 4.717 0.2781 0.2862 0.2423 44DOPE H10X 5651 1.390 5.008 4.656 -0.3006 2.3829 0.1391 44DOPE C311 5652 1.603 5.091 4.659 0.1812 -0.2498 -0.5168 44DOPE H11X 5653 1.637 5.038 4.567 2.0762 -0.6976 0.3975 44DOPE H11Y 5654 1.682 5.082 4.736 -0.5164 0.6169 0.3271 44DOPE C312 5655 1.589 5.239 4.621 -0.3113 -0.1464 0.0594 44DOPE H12X 5656 1.510 5.259 4.546 -0.4181 2.7869 0.8472 44DOPE H12Y 5657 1.561 5.292 4.715 -0.0631 -0.4725 0.3189 44DOPE C313 5658 1.723 5.295 4.574 -0.2257 0.0654 0.5516 44DOPE H13X 5659 1.807 5.248 4.629 -1.2759 1.1508 3.2823 44DOPE H13Y 5660 1.725 5.278 4.464 -0.8379 -0.1585 0.5720 44DOPE C314 5661 1.735 5.448 4.579 0.3817 0.0451 -0.1689 44DOPE H14X 5662 1.827 5.486 4.528 0.2411 0.7725 0.1093 44DOPE H14Y 5663 1.653 5.492 4.518 1.2940 -0.0915 -1.5540 44DOPE C315 5664 1.735 5.506 4.720 0.1938 -0.3697 0.0051 44DOPE H15X 5665 1.813 5.455 4.780 1.0989 0.8827 -0.0521 44DOPE H15Y 5666 1.634 5.485 4.759 -0.3634 -0.2637 -1.3351 44DOPE C316 5667 1.757 5.657 4.706 -0.0539 -0.3355 -0.0116 44DOPE H16X 5668 1.851 5.683 4.654 0.1595 -1.1141 -0.0229 44DOPE H16Y 5669 1.669 5.708 4.660 0.3416 0.2243 -0.1543 44DOPE C317 5670 1.774 5.715 4.847 -0.2336 -0.4254 0.0484 44DOPE H17X 5671 1.861 5.668 4.898 1.3528 2.1052 -0.1141 44DOPE H17Y 5672 1.685 5.691 4.908 -0.5939 1.4000 0.3031 44DOPE C318 5673 1.796 5.866 4.848 0.2930 -0.4935 -0.2797 44DOPE H18X 5674 1.694 5.908 4.831 -0.6080 -2.0967 0.8349 44DOPE H18Y 5675 1.835 5.881 4.951 -0.0183 -1.9921 0.0764 44DOPE H18Z 5676 1.874 5.897 4.775 0.9481 -1.9095 -0.2208 45DOPE N 5677 4.552 0.150 6.297 0.0189 0.8178 0.0749 45DOPE HN1 5678 4.600 0.207 6.370 1.4618 -0.5031 0.2304 45DOPE HN2 5679 4.463 0.198 6.276 -0.3585 1.0682 1.9919 45DOPE HN3 5680 4.523 0.056 6.330 1.4468 -0.0014 -0.8843 45DOPE C12 5681 4.638 0.144 6.173 -0.0137 0.4880 0.0659 45DOPE H12A 5682 4.644 0.245 6.125 1.3776 0.3619 -0.0676 45DOPE H12B 5683 4.584 0.066 6.116 -1.5920 0.4959 1.4544 45DOPE C11 5684 4.786 0.109 6.188 -0.0963 0.2487 0.3033 45DOPE H11A 5685 4.812 0.067 6.089 0.8290 -0.2110 0.7260 45DOPE H11B 5686 4.794 0.029 6.266 1.7899 0.2640 0.1509 45DOPE P 5687 5.026 0.186 6.234 0.1622 -0.4216 -0.0126 45DOPE O13 5688 5.046 0.119 6.364 -0.6683 0.1638 0.4278 45DOPE O14 5689 5.111 0.306 6.219 -0.1807 -0.1438 0.2317 45DOPE O11 5690 5.057 0.086 6.113 0.5081 -0.0601 -0.2289 45DOPE O12 5691 4.870 0.220 6.220 0.2098 -0.0142 0.4151 45DOPE C1 5692 5.178 0.011 6.108 0.3571 -0.3299 0.1182 45DOPE HA 5693 5.149 -0.068 6.036 -0.2918 -0.5986 0.6668 45DOPE HB 5694 5.210 -0.036 6.204 -0.2589 -3.7865 -1.2116 45DOPE C2 5695 5.294 0.096 6.053 -0.0220 0.0590 -0.0794 45DOPE HS 5696 5.340 0.154 6.135 3.1766 -1.2099 -0.8292 45DOPE O21 5697 5.239 0.184 5.954 0.0541 0.2398 0.0387 45DOPE C21 5698 5.321 0.285 5.925 0.0510 0.3071 0.2583 45DOPE O22 5699 5.426 0.305 5.983 0.2416 -0.6327 0.2571 45DOPE C22 5700 5.270 0.355 5.800 0.1756 -0.2174 -0.0896 45DOPE H2R 5701 5.350 0.424 5.765 1.6155 -1.2508 1.0310 45DOPE H2S 5702 5.188 0.426 5.825 1.4431 1.3236 -0.1658 45DOPE C3 5703 5.410 0.014 5.994 0.3762 0.8542 -0.4146 45DOPE HX 5704 5.420 -0.077 6.057 1.9340 1.0926 -0.2701 45DOPE HY 5705 5.498 0.079 6.015 -0.7144 1.6335 2.1642 45DOPE O31 5706 5.385 -0.003 5.854 0.2142 0.0545 -0.2941 45DOPE C31 5707 5.333 -0.121 5.822 -0.2438 0.1941 -0.0747 45DOPE O32 5708 5.318 -0.212 5.902 -0.3201 -0.2316 -0.5706 45DOPE C32 5709 5.293 -0.119 5.675 -0.4528 -0.3322 -0.0284 45DOPE H2X 5710 5.182 -0.112 5.667 -0.4117 1.0271 0.3084 45DOPE H2Y 5711 5.333 -0.025 5.631 -0.0762 -0.2569 0.4633 45DOPE C23 5712 5.232 0.252 5.694 0.3902 -0.4344 0.0428 45DOPE H3R 5713 5.131 0.209 5.711 0.1489 0.1511 0.1027 45DOPE H3S 5714 5.294 0.161 5.709 0.1777 -1.5901 -4.4987 45DOPE C24 5715 5.218 0.310 5.553 -0.0831 -0.1813 0.1927 45DOPE H4R 5716 5.317 0.318 5.503 -0.5479 -0.7543 -0.8669 45DOPE H4S 5717 5.157 0.403 5.552 -0.9118 -0.6325 -2.7978 45DOPE C25 5718 5.149 0.207 5.463 0.1153 0.1366 -0.3292 45DOPE H5R 5719 5.041 0.214 5.486 0.0216 2.3613 -1.2358 45DOPE H5S 5720 5.189 0.104 5.480 -1.0523 -0.5511 -1.5309 45DOPE C26 5721 5.175 0.232 5.315 0.7244 -0.0880 -0.2633 45DOPE H6R 5722 5.284 0.249 5.300 0.7043 0.9932 0.7199 45DOPE H6S 5723 5.114 0.322 5.294 -0.6641 -0.7503 0.8031 45DOPE C27 5724 5.122 0.129 5.215 -0.0308 0.2099 -0.1759 45DOPE H7R 5725 5.012 0.112 5.213 -0.3971 2.3925 -2.0869 45DOPE H7S 5726 5.179 0.038 5.246 1.6085 1.9936 2.3992 45DOPE C28 5727 5.149 0.166 5.069 -0.0274 0.4366 -0.1181 45DOPE H8R 5728 5.254 0.202 5.062 0.0646 0.1861 -0.0372 45DOPE H8S 5729 5.072 0.236 5.032 -1.8711 -1.5946 -0.3566 45DOPE C29 5730 5.141 0.047 4.978 0.8890 0.3437 -0.0935 45DOPE H9R 5731 5.148 -0.051 5.029 1.1660 -0.4499 -1.5917 45DOPE C210 5732 5.105 0.047 4.849 -0.3618 0.2895 0.2353 45DOPE H10R 5733 5.116 -0.048 4.794 1.6163 0.7768 -0.2961 45DOPE C211 5734 5.076 0.164 4.758 -0.0093 -0.2722 -0.6197 45DOPE H11R 5735 5.107 0.257 4.810 0.2782 0.8239 -2.6905 45DOPE H11S 5736 4.969 0.165 4.729 -0.6757 0.6900 1.6326 45DOPE C212 5737 5.163 0.158 4.633 0.0006 -0.3305 -0.6103 45DOPE H12R 5738 5.114 0.083 4.568 -1.8870 -0.2121 0.5841 45DOPE H12S 5739 5.265 0.126 4.661 -0.9570 -1.5499 1.7760 45DOPE C213 5740 5.157 0.285 4.547 -0.0119 -0.0394 -0.1837 45DOPE H13R 5741 5.225 0.367 4.578 0.1063 -0.2481 0.1096 45DOPE H13S 5742 5.059 0.336 4.538 0.9846 1.8663 -0.8319 45DOPE C214 5743 5.202 0.258 4.403 0.2811 0.0530 -0.1097 45DOPE H14R 5744 5.141 0.177 4.358 0.0292 0.3399 -0.2842 45DOPE H14S 5745 5.311 0.238 4.413 0.4248 0.5692 -0.6114 45DOPE C215 5746 5.192 0.378 4.308 0.7374 -0.1547 -0.4260 45DOPE H15R 5747 5.085 0.407 4.294 0.6525 -0.7347 -1.0649 45DOPE H15S 5748 5.223 0.343 4.207 4.2679 0.6616 0.2697 45DOPE C216 5749 5.284 0.492 4.351 0.2790 -0.0928 0.4063 45DOPE H16R 5750 5.385 0.447 4.353 0.0950 -0.5057 0.5422 45DOPE H16S 5751 5.260 0.519 4.457 -2.2758 -2.1371 0.4746 45DOPE C217 5752 5.285 0.612 4.257 0.1473 -0.3541 0.0699 45DOPE H17R 5753 5.297 0.590 4.149 3.5493 0.1731 0.2520 45DOPE H17S 5754 5.377 0.667 4.286 -0.3689 0.0102 1.0493 45DOPE C218 5755 5.162 0.701 4.276 0.3321 -0.0177 -0.2904 45DOPE H18R 5756 5.164 0.787 4.206 -0.3579 1.8787 1.8645 45DOPE H18S 5757 5.157 0.736 4.382 0.3960 0.6439 -0.4994 45DOPE H18T 5758 5.065 0.647 4.267 -1.4276 2.8075 0.5033 45DOPE C33 5759 5.351 -0.237 5.598 0.4535 -0.0769 0.2519 45DOPE H3X 5760 5.459 -0.253 5.619 0.4844 0.0452 0.1846 45DOPE H3Y 5761 5.337 -0.216 5.490 -1.3094 0.0099 0.4693 45DOPE C34 5762 5.256 -0.353 5.627 -0.2326 0.3934 -0.0982 45DOPE H4X 5763 5.150 -0.327 5.605 -0.4134 0.7304 1.1078 45DOPE H4Y 5764 5.260 -0.382 5.734 -0.5811 -0.8752 -0.4084 45DOPE C35 5765 5.300 -0.474 5.544 -0.3188 0.3040 -0.0144 45DOPE H5X 5766 5.386 -0.532 5.584 -1.4670 -1.3927 0.0922 45DOPE H5Y 5767 5.328 -0.433 5.445 -0.0268 -2.8480 -1.3476 45DOPE C36 5768 5.181 -0.568 5.527 -0.4149 0.3953 0.1501 45DOPE H6X 5769 5.150 -0.615 5.623 -0.9361 0.2757 -0.0720 45DOPE H6Y 5770 5.093 -0.511 5.490 -0.2955 -0.0338 -0.8105 45DOPE C37 5771 5.203 -0.678 5.424 0.1505 -0.1807 0.8738 45DOPE H7X 5772 5.242 -0.616 5.341 2.4591 -0.7725 1.4547 45DOPE H7Y 5773 5.290 -0.739 5.457 -0.4764 -1.0248 0.9931 45DOPE C38 5774 5.084 -0.764 5.379 0.1525 0.4167 -0.3044 45DOPE H8X 5775 5.036 -0.781 5.478 0.6870 1.8383 0.2338 45DOPE H8Y 5776 5.024 -0.694 5.317 -0.0287 1.3068 0.8345 45DOPE C39 5777 5.131 -0.884 5.302 -0.3705 -0.2348 0.3783 45DOPE H9X 5778 5.165 -0.961 5.372 -2.1474 -0.1455 1.3992 45DOPE C310 5779 5.147 -0.892 5.169 0.3987 0.1920 0.4395 45DOPE H10X 5780 5.158 -0.991 5.122 0.1042 -0.4432 1.6836 45DOPE C311 5781 5.106 -0.791 5.065 -0.0678 -0.0481 0.3866 45DOPE H11X 5782 5.178 -0.791 4.980 -0.8590 -1.3716 -0.3101 45DOPE H11Y 5783 5.117 -0.690 5.111 0.7081 -0.0826 0.2894 45DOPE C312 5784 4.962 -0.794 5.014 0.0601 0.3281 -0.0031 45DOPE H12X 5785 4.900 -0.782 5.105 -0.4698 -1.8065 -0.0304 45DOPE H12Y 5786 4.924 -0.892 4.977 -1.4349 -0.3099 2.8910 45DOPE C313 5787 4.925 -0.682 4.917 -0.1508 1.1186 0.9833 45DOPE H13X 5788 4.968 -0.712 4.819 -0.0409 0.5490 1.2031 45DOPE H13Y 5789 4.987 -0.592 4.938 0.9819 0.5604 0.1098 45DOPE C314 5790 4.776 -0.651 4.904 -0.3059 -0.1246 -0.3985 45DOPE H14X 5791 4.722 -0.735 4.854 -1.1405 0.6071 -0.7539 45DOPE H14Y 5792 4.715 -0.640 4.997 -0.4433 -2.1160 -0.1976 45DOPE C315 5793 4.756 -0.527 4.817 0.3600 -0.2562 -0.7426 45DOPE H15X 5794 4.648 -0.524 4.793 -0.2461 -2.0282 1.4252 45DOPE H15Y 5795 4.827 -0.547 4.734 0.4955 1.1911 -1.0065 45DOPE C316 5796 4.788 -0.395 4.887 -0.0148 -0.1183 -0.8294 45DOPE H16X 5797 4.736 -0.393 4.985 2.7087 1.0817 0.6862 45DOPE H16Y 5798 4.897 -0.400 4.907 -0.1197 1.4194 0.3273 45DOPE C317 5799 4.740 -0.275 4.805 0.4609 0.4457 -0.2940 45DOPE H17X 5800 4.631 -0.258 4.807 0.2024 -0.6184 -2.1884 45DOPE H17Y 5801 4.772 -0.290 4.699 2.8526 -0.0119 0.4309 45DOPE C318 5802 4.809 -0.147 4.852 0.6868 0.3430 -0.3474 45DOPE H18X 5803 4.781 -0.059 4.789 -2.7683 -1.4153 -1.5429 45DOPE H18Y 5804 4.794 -0.134 4.961 2.3859 0.6572 -0.1149 45DOPE H18Z 5805 4.917 -0.167 4.833 0.2220 -1.2270 -1.6366 46DOPE N 5806 2.236 0.304 6.823 -0.2518 0.0173 0.2430 46DOPE HN1 5807 2.217 0.335 6.921 -1.3148 -2.2275 0.8188 46DOPE HN2 5808 2.156 0.242 6.800 0.8166 -1.4125 0.2743 46DOPE HN3 5809 2.316 0.241 6.845 -0.0368 0.7134 1.5531 46DOPE C12 5810 2.280 0.405 6.720 0.2749 0.2126 0.6554 46DOPE H12A 5811 2.369 0.456 6.763 0.0881 -0.7178 2.2334 46DOPE H12B 5812 2.205 0.485 6.706 -0.6827 -0.8906 -0.7428 46DOPE C11 5813 2.305 0.328 6.590 -0.7212 -0.3625 0.7992 46DOPE H11A 5814 2.341 0.401 6.515 1.6509 -0.9169 1.3266 46DOPE H11B 5815 2.207 0.282 6.563 0.0160 -1.7636 0.3827 46DOPE P 5816 2.458 0.158 6.480 -0.1741 0.1671 -0.0596 46DOPE O13 5817 2.340 0.123 6.396 -0.2905 0.2975 0.0490 46DOPE O14 5818 2.543 0.042 6.516 0.1290 0.4485 0.1307 46DOPE O11 5819 2.551 0.272 6.417 0.5159 -0.2749 0.1484 46DOPE O12 5820 2.403 0.227 6.614 -0.1558 -0.0009 0.0349 46DOPE C1 5821 2.659 0.314 6.500 0.0255 -0.0033 0.6650 46DOPE HA 5822 2.683 0.237 6.576 0.1446 0.3103 0.9489 46DOPE HB 5823 2.629 0.409 6.549 -2.3168 -0.6942 0.6453 46DOPE C2 5824 2.791 0.338 6.423 -0.1501 0.1001 0.3954 46DOPE HS 5825 2.863 0.351 6.506 0.5575 -0.5783 -0.0971 46DOPE O21 5826 2.780 0.451 6.335 -0.1433 -0.0311 0.2257 46DOPE C21 5827 2.876 0.542 6.350 0.3988 -0.5099 -0.2820 46DOPE O22 5828 2.961 0.540 6.438 0.0798 -0.3355 0.0343 46DOPE C22 5829 2.857 0.654 6.249 -0.2537 -0.3040 0.0611 46DOPE H2R 5830 2.938 0.728 6.270 0.1594 -0.9504 0.8258 46DOPE H2S 5831 2.763 0.707 6.275 0.5110 0.9304 0.4468 46DOPE C3 5832 2.828 0.218 6.334 -0.2518 0.2360 0.1671 46DOPE HX 5833 2.753 0.216 6.252 -2.4978 -1.4814 2.0978 46DOPE HY 5834 2.830 0.120 6.387 0.1390 -0.5244 -1.2136 46DOPE O31 5835 2.958 0.245 6.282 0.1092 -0.4478 0.6938 46DOPE C31 5836 2.986 0.184 6.167 -0.1966 0.5275 0.0850 46DOPE O32 5837 2.925 0.089 6.120 0.6732 0.0755 -0.1727 46DOPE C32 5838 3.103 0.266 6.114 -0.2510 0.4925 -0.0899 46DOPE H2X 5839 3.059 0.343 6.046 -1.0336 1.7513 1.7624 46DOPE H2Y 5840 3.161 0.312 6.197 0.4778 -2.0355 0.8960 46DOPE C23 5841 2.864 0.607 6.104 -0.4569 0.3633 -0.1700 46DOPE H3R 5842 2.787 0.539 6.062 1.4501 -3.9193 2.5594 46DOPE H3S 5843 2.957 0.546 6.096 -0.0217 0.6809 1.8737 46DOPE C24 5844 2.886 0.723 6.007 -0.4427 0.2379 -0.3176 46DOPE H4R 5845 2.935 0.811 6.053 -1.0686 1.1858 -1.4047 46DOPE H4S 5846 2.784 0.764 5.991 -0.8106 0.5829 2.4315 46DOPE C25 5847 2.963 0.687 5.880 -0.1331 -0.8462 0.1633 46DOPE H5R 5848 2.937 0.589 5.835 2.8337 -2.2929 1.3334 46DOPE H5S 5849 3.067 0.678 5.919 0.2034 2.4915 0.3721 46DOPE C26 5850 2.964 0.796 5.771 -0.2566 -0.9320 0.0763 46DOPE H6R 5851 3.063 0.846 5.760 -0.6974 -0.1948 -0.5789 46DOPE H6S 5852 2.893 0.879 5.790 0.7459 -0.1408 0.4351 46DOPE C27 5853 2.927 0.725 5.641 -0.1144 -0.6504 -0.1187 46DOPE H7R 5854 2.820 0.700 5.658 -0.3769 1.8403 2.6994 46DOPE H7S 5855 2.972 0.624 5.631 -1.5168 -1.3345 0.1607 46DOPE C28 5856 2.968 0.809 5.520 0.2323 -0.5883 0.0407 46DOPE H8R 5857 3.077 0.827 5.522 -0.0129 1.9473 -2.4349 46DOPE H8S 5858 2.916 0.907 5.520 -1.5730 -1.4976 0.8927 46DOPE C29 5859 2.943 0.733 5.392 0.6433 -0.1202 -0.3220 46DOPE H9R 5860 2.916 0.627 5.409 0.4726 0.1454 1.2335 46DOPE C210 5861 2.948 0.785 5.269 -0.4493 0.3422 -0.1774 46DOPE H10R 5862 2.925 0.727 5.179 -1.6859 0.2623 0.1667 46DOPE C211 5863 3.003 0.922 5.238 -0.2485 0.2450 -0.2522 46DOPE H11R 5864 3.111 0.910 5.258 -0.4052 -0.5715 0.1455 46DOPE H11S 5865 2.951 0.998 5.300 -0.1122 1.8011 -1.9634 46DOPE C212 5866 2.970 0.955 5.092 -0.2524 -0.1149 -0.3338 46DOPE H12R 5867 2.994 1.061 5.069 -0.2766 -0.4509 -2.0231 46DOPE H12S 5868 2.860 0.941 5.093 -0.1178 -1.2867 -0.2821 46DOPE C213 5869 3.054 0.877 4.991 0.0169 -0.3335 0.0540 46DOPE H13R 5870 3.026 0.771 4.970 -0.8930 -0.0101 -0.4396 46DOPE H13S 5871 3.162 0.876 5.015 0.3380 -0.6449 -1.2925 46DOPE C214 5872 3.050 0.937 4.850 -0.3312 0.4824 0.4057 46DOPE H14R 5873 3.095 1.038 4.862 -0.9774 0.7053 1.0129 46DOPE H14S 5874 2.947 0.958 4.817 -0.3568 2.6311 1.6556 46DOPE C215 5875 3.116 0.845 4.747 -0.8146 0.4732 0.1020 46DOPE H15R 5876 3.052 0.764 4.707 0.7904 -0.5482 -0.4949 46DOPE H15S 5877 3.206 0.794 4.789 -0.4713 1.0903 0.1203 46DOPE C216 5878 3.163 0.920 4.622 0.8310 0.0042 0.4149 46DOPE H16R 5879 3.246 0.860 4.579 -0.0198 -0.1441 -1.0639 46DOPE H16S 5880 3.200 1.023 4.641 0.8338 0.3084 -1.1580 46DOPE C217 5881 3.067 0.926 4.504 0.9724 -0.2551 0.2854 46DOPE H17R 5882 2.970 0.967 4.540 -0.8342 -1.9385 -2.3083 46DOPE H17S 5883 3.048 0.824 4.465 -3.7987 -0.7136 3.0846 46DOPE C218 5884 3.112 1.000 4.378 0.0802 -0.5875 -0.2393 46DOPE H18R 5885 3.207 0.955 4.344 1.7878 2.4736 0.0565 46DOPE H18S 5886 3.130 1.105 4.409 -2.9879 -0.3544 1.0636 46DOPE H18T 5887 3.041 0.998 4.292 -2.0781 -0.1849 1.4477 46DOPE C33 5888 3.202 0.179 6.036 -0.6086 0.3760 -0.4238 46DOPE H3X 5889 3.296 0.239 6.028 0.3199 -0.9756 -0.0560 46DOPE H3Y 5890 3.233 0.085 6.087 0.6811 -0.1011 -1.9903 46DOPE C34 5891 3.157 0.143 5.895 0.2796 -0.2793 -0.5493 46DOPE H4X 5892 3.063 0.083 5.895 0.1009 -0.0019 -0.3305 46DOPE H4Y 5893 3.124 0.229 5.834 -1.0509 -0.3548 0.0352 46DOPE C35 5894 3.251 0.048 5.821 0.0811 -0.3131 -0.7611 46DOPE H5X 5895 3.354 0.090 5.826 0.0919 -0.0582 -2.5666 46DOPE H5Y 5896 3.225 0.038 5.714 0.3502 -1.5207 -0.7304 46DOPE C36 5897 3.240 -0.093 5.880 0.4144 0.0650 0.2282 46DOPE H6X 5898 3.299 -0.101 5.974 2.0574 1.2345 -0.6497 46DOPE H6Y 5899 3.133 -0.118 5.892 0.7892 -1.5828 0.3697 46DOPE C37 5900 3.297 -0.199 5.785 0.0085 0.2190 -0.1885 46DOPE H7X 5901 3.237 -0.201 5.692 0.4271 -1.6179 -0.4566 46DOPE H7Y 5902 3.287 -0.297 5.836 -0.6819 -1.9539 -4.1162 46DOPE C38 5903 3.445 -0.186 5.750 0.0640 0.2406 0.0500 46DOPE H8X 5904 3.465 -0.101 5.681 2.5795 -2.0043 -2.2496 46DOPE H8Y 5905 3.499 -0.156 5.842 -0.0836 1.5906 -0.2843 46DOPE C39 5906 3.519 -0.307 5.700 -0.0781 0.1640 0.0226 46DOPE H9X 5907 3.534 -0.388 5.773 1.0881 -0.7339 -1.1681 46DOPE C310 5908 3.564 -0.323 5.575 -0.2978 -0.1369 -0.0183 46DOPE H10X 5909 3.633 -0.406 5.549 1.1561 1.3529 -1.1350 46DOPE C311 5910 3.531 -0.228 5.463 0.3405 0.3850 0.2296 46DOPE H11X 5911 3.583 -0.131 5.476 -0.2885 0.6355 0.9363 46DOPE H11Y 5912 3.424 -0.200 5.461 0.3065 0.1905 -1.3930 46DOPE C312 5913 3.583 -0.284 5.330 0.0599 -0.0791 0.3110 46DOPE H12X 5914 3.586 -0.202 5.255 1.3942 -1.2977 -1.0260 46DOPE H12Y 5915 3.690 -0.314 5.339 0.1610 0.3477 0.5627 46DOPE C313 5916 3.494 -0.397 5.279 -0.3573 0.3201 0.1453 46DOPE H13X 5917 3.388 -0.365 5.289 -0.2456 0.8384 -0.3392 46DOPE H13Y 5918 3.493 -0.486 5.346 0.1210 -1.1757 -1.7357 46DOPE C314 5919 3.514 -0.453 5.139 -0.5134 -0.1035 0.2894 46DOPE H14X 5920 3.511 -0.366 5.070 -3.0582 -1.4256 -1.4146 46DOPE H14Y 5921 3.618 -0.494 5.141 -0.9700 -1.2869 1.2909 46DOPE C315 5922 3.410 -0.559 5.105 -0.5863 0.0846 -0.0800 46DOPE H15X 5923 3.397 -0.626 5.193 1.1341 -1.0833 -0.6695 46DOPE H15Y 5924 3.311 -0.518 5.074 -1.3158 -1.5085 0.0242 46DOPE C316 5925 3.439 -0.644 4.981 0.0760 0.0102 0.1219 46DOPE H16X 5926 3.542 -0.677 4.959 -0.5564 -0.1461 -3.2163 46DOPE H16Y 5927 3.414 -0.570 4.901 1.0615 0.0739 -0.1317 46DOPE C317 5928 3.341 -0.760 4.960 0.7489 -0.5096 -0.1764 46DOPE H17X 5929 3.239 -0.716 4.953 1.7564 1.9225 -0.7293 46DOPE H17Y 5930 3.359 -0.827 5.047 -0.1940 0.5498 0.8892 46DOPE C318 5931 3.370 -0.845 4.837 -0.0308 -0.3232 -0.4942 46DOPE H18X 5932 3.384 -0.791 4.741 -2.2183 1.5480 0.1413 46DOPE H18Y 5933 3.471 -0.890 4.850 -0.2920 -0.7632 0.0163 46DOPE H18Z 5934 3.294 -0.925 4.833 0.8007 -1.5369 3.5758 47DOPE N 5935 2.861 2.437 7.044 0.3957 -0.4996 -0.0921 47DOPE HN1 5936 2.913 2.512 6.994 -0.3940 0.9288 1.1697 47DOPE HN2 5937 2.795 2.482 7.110 0.3297 -1.5251 0.5686 47DOPE HN3 5938 2.922 2.381 7.107 -0.1084 0.1631 1.0273 47DOPE C12 5939 2.781 2.361 6.941 0.0060 -0.0104 -0.1561 47DOPE H12A 5940 2.705 2.428 6.897 1.3552 2.2145 0.7305 47DOPE H12B 5941 2.723 2.287 7.000 -2.8497 0.2899 -2.3921 47DOPE C11 5942 2.869 2.292 6.836 -0.3178 -0.1157 -0.3586 47DOPE H11A 5943 2.804 2.242 6.762 0.6299 -0.2236 -1.1344 47DOPE H11B 5944 2.934 2.218 6.888 -0.6618 -0.0086 0.2416 47DOPE P 5945 3.069 2.337 6.685 0.0277 -0.1133 0.0832 47DOPE O13 5946 3.038 2.202 6.633 0.0455 -0.1436 0.1528 47DOPE O14 5947 3.201 2.353 6.750 -0.1819 -0.2805 0.5486 47DOPE O11 5948 3.069 2.437 6.559 0.0602 -0.6676 -0.3632 47DOPE O12 5949 2.953 2.393 6.779 0.1475 -0.1506 0.2533 47DOPE C1 5950 2.951 2.440 6.479 0.1941 -0.2377 -0.5484 47DOPE HA 5951 2.967 2.539 6.433 -1.5745 1.1203 1.5408 47DOPE HB 5952 2.859 2.451 6.541 -0.0682 -3.5612 -0.1827 47DOPE C2 5953 2.938 2.328 6.375 -0.2228 -0.7277 0.0186 47DOPE HS 5954 2.900 2.241 6.433 -1.2426 -1.1029 -1.1604 47DOPE O21 5955 3.059 2.277 6.317 0.0788 -0.4544 0.4033 47DOPE C21 5956 3.138 2.371 6.265 -0.3350 -0.5157 -0.3553 47DOPE O22 5957 3.097 2.476 6.218 0.3024 0.1148 0.4596 47DOPE C22 5958 3.280 2.316 6.254 -0.0073 0.1158 0.5372 47DOPE H2R 5959 3.269 2.207 6.234 -0.4540 -0.0027 1.3902 47DOPE H2S 5960 3.328 2.334 6.352 -0.0549 -0.1454 0.6090 47DOPE C3 5961 2.825 2.371 6.280 -0.2472 -0.1065 0.3273 47DOPE HX 5962 2.865 2.454 6.216 1.7781 -1.6332 -0.5042 47DOPE HY 5963 2.735 2.417 6.325 -0.0455 -0.1859 0.8112 47DOPE O31 5964 2.782 2.263 6.196 -0.1469 0.2854 -0.2395 47DOPE C31 5965 2.694 2.181 6.253 -0.0124 0.2296 -0.1124 47DOPE O32 5966 2.634 2.206 6.356 -0.2021 0.0561 -0.1799 47DOPE C32 5967 2.666 2.058 6.168 -0.1109 -0.0117 0.2660 47DOPE H2X 5968 2.763 2.012 6.140 0.6864 0.3081 2.3085 47DOPE H2Y 5969 2.617 1.980 6.230 -0.8134 0.8001 0.7643 47DOPE C23 5970 3.362 2.398 6.154 0.0481 -0.7375 -0.1311 47DOPE H3R 5971 3.471 2.373 6.155 0.3889 0.6075 1.2071 47DOPE H3S 5972 3.345 2.506 6.174 -1.5694 -1.2197 1.3508 47DOPE C24 5973 3.322 2.378 6.008 0.5900 0.2341 -0.4255 47DOPE H4R 5974 3.212 2.363 5.999 0.5952 0.5029 -0.9431 47DOPE H4S 5975 3.358 2.278 5.976 -1.4614 -0.1653 -1.7006 47DOPE C25 5976 3.365 2.487 5.911 -0.2324 0.2593 -0.7720 47DOPE H5R 5977 3.465 2.524 5.943 -0.4945 0.8313 -0.5908 47DOPE H5S 5978 3.297 2.575 5.919 -0.7091 -0.2330 0.8400 47DOPE C26 5979 3.364 2.426 5.771 -0.0683 -0.0880 -0.6213 47DOPE H6R 5980 3.270 2.377 5.739 0.4991 -2.4456 1.0728 47DOPE H6S 5981 3.442 2.348 5.756 2.3742 2.2041 -0.5935 47DOPE C27 5982 3.382 2.533 5.663 -0.2712 0.2437 -0.3265 47DOPE H7R 5983 3.373 2.473 5.570 -0.7007 1.0455 -0.8125 47DOPE H7S 5984 3.487 2.570 5.670 -0.0457 0.1206 -2.5276 47DOPE C28 5985 3.287 2.653 5.662 0.0765 0.5200 -1.1642 47DOPE H8R 5986 3.329 2.723 5.587 1.5893 1.4684 0.4851 47DOPE H8S 5987 3.296 2.718 5.752 -0.5597 -1.9937 0.8329 47DOPE C29 5988 3.141 2.620 5.647 0.0077 0.1970 0.0774 47DOPE H9R 5989 3.092 2.586 5.739 -0.3189 -0.1878 -0.2343 47DOPE C210 5990 3.060 2.632 5.541 -0.0769 -0.1333 0.1029 47DOPE H10R 5991 2.955 2.600 5.548 -0.1159 -0.2670 -0.8595 47DOPE C211 5992 3.111 2.677 5.407 -0.4847 -0.3172 -0.1182 47DOPE H11R 5993 3.187 2.603 5.373 -0.6062 -0.7309 0.4983 47DOPE H11S 5994 3.172 2.769 5.415 0.3118 -0.7857 -0.6449 47DOPE C212 5995 2.994 2.702 5.313 -0.6077 -0.1910 0.0693 47DOPE H12R 5996 2.927 2.614 5.320 -0.2503 -0.4462 0.2775 47DOPE H12S 5997 2.929 2.788 5.342 -1.3841 -0.2845 -1.2876 47DOPE C213 5998 3.037 2.715 5.167 -0.1453 -0.7449 0.1554 47DOPE H13R 5999 3.093 2.623 5.140 -0.7407 -0.5926 -1.8031 47DOPE H13S 6000 3.111 2.796 5.146 1.0607 -2.3249 -2.2363 47DOPE C214 6001 2.915 2.732 5.076 -0.3254 -0.3972 0.4582 47DOPE H14R 6002 2.860 2.635 5.076 -0.4995 -0.3128 -0.4312 47DOPE H14S 6003 2.848 2.816 5.103 -0.3862 -0.1693 -0.3610 47DOPE C215 6004 2.930 2.750 4.925 -0.1499 0.2187 0.5468 47DOPE H15R 6005 2.987 2.841 4.896 -0.5160 0.5053 0.7326 47DOPE H15S 6006 2.986 2.660 4.890 -1.2604 0.1464 -1.1758 47DOPE C216 6007 2.795 2.749 4.853 -0.0097 -0.1743 0.2830 47DOPE H16R 6008 2.714 2.812 4.896 -0.4346 0.3556 -1.2177 47DOPE H16S 6009 2.755 2.646 4.854 -1.0028 0.1799 -0.7814 47DOPE C217 6010 2.830 2.791 4.710 -0.1631 -0.2540 0.2224 47DOPE H17R 6011 2.752 2.760 4.636 -0.1122 0.9848 -0.3774 47DOPE H17S 6012 2.921 2.739 4.676 -0.4123 -1.0157 0.7053 47DOPE C218 6013 2.846 2.943 4.694 -0.2135 -0.2778 -0.0641 47DOPE H18R 6014 2.758 3.010 4.698 -0.6757 -0.6857 -2.0165 47DOPE H18S 6015 2.883 2.954 4.590 -0.6334 -1.5619 -0.3705 47DOPE H18T 6016 2.919 2.984 4.767 -2.2968 2.5512 0.5690 47DOPE C33 6017 2.605 2.104 6.035 0.3068 -0.1701 0.0204 47DOPE H3X 6018 2.684 2.161 5.981 0.1024 1.8388 1.7177 47DOPE H3Y 6019 2.512 2.158 6.060 0.1325 -0.6442 0.4204 47DOPE C34 6020 2.571 1.983 5.948 0.2074 -0.3624 0.3265 47DOPE H4X 6021 2.660 1.918 5.964 -0.4104 -0.9646 1.5066 47DOPE H4Y 6022 2.485 1.932 5.998 0.9315 -1.3282 0.6177 47DOPE C35 6023 2.557 2.023 5.801 -0.8646 0.0851 0.5408 47DOPE H5X 6024 2.631 2.100 5.773 -1.2620 1.2256 2.4408 47DOPE H5Y 6025 2.453 2.057 5.779 -0.1626 1.3024 -1.0319 47DOPE C36 6026 2.581 1.899 5.715 0.5288 0.4268 0.4114 47DOPE H6X 6027 2.547 1.920 5.611 0.5284 0.7925 0.4819 47DOPE H6Y 6028 2.689 1.875 5.717 0.3071 -0.7599 -0.5487 47DOPE C37 6029 2.507 1.771 5.753 0.1628 0.4368 -0.2390 47DOPE H7X 6030 2.401 1.779 5.720 -0.1380 0.1063 0.6026 47DOPE H7Y 6031 2.511 1.747 5.862 0.0450 1.9652 0.1233 47DOPE C38 6032 2.571 1.645 5.696 0.0102 0.1819 0.1441 47DOPE H8X 6033 2.677 1.644 5.731 0.1618 -0.7084 -0.2889 47DOPE H8Y 6034 2.535 1.550 5.741 2.5639 -0.2633 1.4459 47DOPE C39 6035 2.553 1.644 5.547 0.0125 -0.4407 0.1447 47DOPE H9X 6036 2.449 1.640 5.510 0.4015 0.1120 -1.0653 47DOPE C310 6037 2.641 1.657 5.447 0.3195 -0.3900 0.4230 47DOPE H10X 6038 2.608 1.653 5.343 0.7806 -0.8913 0.2923 47DOPE C311 6039 2.790 1.670 5.467 0.4139 -0.1086 -0.4309 47DOPE H11X 6040 2.827 1.663 5.571 1.9257 1.3869 -0.8227 47DOPE H11Y 6041 2.843 1.589 5.412 -0.7938 -0.7076 -0.7639 47DOPE C312 6042 2.852 1.802 5.422 0.0890 0.1455 -0.1329 47DOPE H12X 6043 2.955 1.810 5.463 0.5038 0.0207 -1.1409 47DOPE H12Y 6044 2.787 1.878 5.472 1.0936 1.1710 -0.3390 47DOPE C313 6045 2.858 1.828 5.272 -0.4163 -0.3825 -0.2480 47DOPE H13X 6046 2.784 1.760 5.225 1.3809 -1.9802 -0.8551 47DOPE H13Y 6047 2.842 1.937 5.256 1.9244 0.2034 1.0033 47DOPE C314 6048 2.987 1.781 5.205 -0.0510 0.5789 -0.2402 47DOPE H14X 6049 2.996 1.676 5.241 -1.4119 0.3872 -0.3943 47DOPE H14Y 6050 3.078 1.831 5.245 0.3036 -0.1614 -0.0903 47DOPE C315 6051 2.975 1.774 5.053 0.0579 -0.0623 -0.2223 47DOPE H15X 6052 2.951 1.879 5.027 -1.8808 -0.5732 -0.6693 47DOPE H15Y 6053 2.897 1.702 5.021 -0.2364 0.2715 -0.2649 47DOPE C316 6054 3.105 1.725 4.989 -0.0166 -0.2431 -0.2365 47DOPE H16X 6055 3.130 1.632 5.045 0.3411 1.5801 2.8548 47DOPE H16Y 6056 3.177 1.806 5.014 0.0146 -0.6934 1.2537 47DOPE C317 6057 3.098 1.702 4.838 -0.3411 -0.2945 -0.2138 47DOPE H17X 6058 3.017 1.628 4.822 -1.4576 1.1520 -1.6459 47DOPE H17Y 6059 3.200 1.668 4.809 0.3987 1.4605 0.1982 47DOPE C318 6060 3.058 1.831 4.767 0.4778 0.0760 -0.0163 47DOPE H18X 6061 3.129 1.914 4.786 1.3634 -0.5815 -0.3887 47DOPE H18Y 6062 3.060 1.817 4.656 -0.6038 -1.0244 0.0780 47DOPE H18Z 6063 2.952 1.854 4.793 -0.8563 -1.1078 -3.7293 48DOPE N 6064 5.386 3.406 6.613 -0.1431 -0.1720 0.6710 48DOPE HN1 6065 5.317 3.406 6.691 0.1626 -0.7893 0.9440 48DOPE HN2 6066 5.333 3.427 6.526 -0.1157 -0.3909 0.6014 48DOPE HN3 6067 5.440 3.317 6.613 0.0197 -0.0864 -0.7200 48DOPE C12 6068 5.492 3.508 6.649 0.6343 -0.7668 0.0942 48DOPE H12A 6069 5.518 3.492 6.755 -0.1644 -0.8619 0.2815 48DOPE H12B 6070 5.444 3.606 6.628 2.3535 -0.2511 -1.7236 48DOPE C11 6071 5.617 3.490 6.563 0.4042 0.2739 -0.4674 48DOPE H11A 6072 5.637 3.384 6.588 1.3045 0.9868 2.1774 48DOPE H11B 6073 5.692 3.554 6.615 0.7392 0.1969 -0.8487 48DOPE P 6074 5.632 3.655 6.363 -0.1241 0.0841 0.3028 48DOPE O13 6075 5.662 3.754 6.468 -0.0630 0.6003 -0.1964 48DOPE O14 6076 5.541 3.694 6.253 -0.0181 -0.8568 -0.1301 48DOPE O11 6077 5.766 3.601 6.294 -0.0659 0.7039 -0.0805 48DOPE O12 6078 5.580 3.518 6.427 -0.3932 -0.1212 -0.3385 48DOPE C1 6079 5.872 3.697 6.280 0.4371 0.0861 -0.5843 48DOPE HA 6080 5.960 3.636 6.251 0.6822 -0.4147 1.0907 48DOPE HB 6081 5.896 3.737 6.381 1.9254 -1.6461 -0.2045 48DOPE C2 6082 5.832 3.810 6.184 -0.0979 0.2549 -0.1687 48DOPE HS 6083 5.741 3.862 6.222 0.1240 1.7661 -1.5949 48DOPE O21 6084 5.795 3.744 6.063 -0.2866 -0.0145 0.0324 48DOPE C21 6085 5.735 3.829 5.979 0.2529 0.0115 -0.3302 48DOPE O22 6086 5.707 3.944 6.006 0.4814 -0.0191 0.0449 48DOPE C22 6087 5.719 3.760 5.844 0.4076 -0.1905 -0.2450 48DOPE H2R 6088 5.630 3.692 5.850 -0.2639 0.7879 1.7765 48DOPE H2S 6089 5.811 3.700 5.829 0.4406 -0.0456 -0.6231 48DOPE C3 6090 5.959 3.894 6.165 -0.1103 0.4901 0.7249 48DOPE HX 6091 5.995 3.930 6.264 0.1968 -0.1951 0.8684 48DOPE HY 6092 5.936 3.981 6.099 0.8430 1.4361 1.5949 48DOPE O31 6093 6.068 3.821 6.107 -0.6196 0.4546 -0.2109 48DOPE C31 6094 6.089 3.830 5.976 -0.1271 -0.8673 -0.2363 48DOPE O32 6095 6.017 3.882 5.892 -0.1645 -0.2960 0.1400 48DOPE C32 6096 6.223 3.762 5.949 0.4283 0.2560 -0.3928 48DOPE H2X 6097 6.281 3.785 6.041 -0.1456 1.1823 -0.2474 48DOPE H2Y 6098 6.212 3.652 5.950 -1.0312 0.3776 -0.4178 48DOPE C23 6099 5.686 3.862 5.736 0.4913 -0.0664 -0.1534 48DOPE H3R 6100 5.788 3.900 5.715 0.4993 -1.1084 -2.2995 48DOPE H3S 6101 5.623 3.945 5.774 1.1405 -0.3620 1.6509 48DOPE C24 6102 5.609 3.799 5.620 0.0154 0.5333 -0.1727 48DOPE H4R 6103 5.523 3.739 5.655 0.2942 -0.0763 -0.4924 48DOPE H4S 6104 5.683 3.727 5.577 -0.5667 -0.3759 0.3285 48DOPE C25 6105 5.549 3.892 5.514 -0.2288 0.3860 -0.1645 48DOPE H5R 6106 5.614 3.977 5.485 0.1997 -0.0704 -0.5671 48DOPE H5S 6107 5.451 3.922 5.558 -0.1593 -0.4086 0.5693 48DOPE C26 6108 5.529 3.817 5.383 0.0204 -0.6952 0.4046 48DOPE H6R 6109 5.473 3.884 5.314 -1.3042 -0.8901 1.2475 48DOPE H6S 6110 5.468 3.726 5.404 0.7688 -1.4479 -0.5546 48DOPE C27 6111 5.661 3.779 5.315 0.1522 0.3686 0.0528 48DOPE H7R 6112 5.720 3.708 5.376 -0.0061 -1.1504 -1.4895 48DOPE H7S 6113 5.718 3.871 5.288 1.5788 -0.5825 -0.2882 48DOPE C28 6114 5.635 3.712 5.180 0.3797 0.1749 0.1042 48DOPE H8R 6115 5.555 3.772 5.131 1.0217 2.4245 1.6356 48DOPE H8S 6116 5.589 3.613 5.198 -0.1402 0.7762 2.4266 48DOPE C29 6117 5.770 3.713 5.114 0.3072 -0.0644 -0.0484 48DOPE H9R 6118 5.851 3.654 5.161 1.0809 -0.4506 -1.8004 48DOPE C210 6119 5.803 3.772 4.998 0.0692 0.3895 0.1141 48DOPE H10R 6120 5.906 3.759 4.964 0.2371 -0.0609 0.7590 48DOPE C211 6121 5.714 3.855 4.909 -0.2877 -0.0172 0.0887 48DOPE H11R 6122 5.738 3.963 4.902 -0.6704 -0.0235 -1.7844 48DOPE H11S 6123 5.611 3.858 4.951 0.0614 1.2324 0.9044 48DOPE C212 6124 5.709 3.795 4.769 0.3415 -0.2457 0.1608 48DOPE H12R 6125 5.696 3.684 4.770 0.2547 -0.2434 -0.3350 48DOPE H12S 6126 5.807 3.810 4.719 0.1597 -0.2233 -0.1924 48DOPE C213 6127 5.603 3.856 4.677 0.6419 0.0330 -0.0042 48DOPE H13R 6128 5.603 3.967 4.676 -0.2745 0.0494 -1.7446 48DOPE H13S 6129 5.497 3.826 4.691 1.1086 -1.7941 -0.0636 48DOPE C214 6130 5.639 3.817 4.534 0.4577 -0.0307 -0.0335 48DOPE H14R 6131 5.614 3.709 4.530 1.8384 -0.3292 -1.8768 48DOPE H14S 6132 5.747 3.833 4.515 -0.0626 1.7484 -1.8424 48DOPE C215 6133 5.551 3.894 4.435 -0.2580 -0.7156 0.0625 48DOPE H15R 6134 5.582 3.998 4.461 -0.5117 -0.5556 -0.2704 48DOPE H15S 6135 5.442 3.883 4.454 -1.0711 0.9664 -2.9934 48DOPE C216 6136 5.586 3.857 4.291 0.3063 -0.0573 0.0277 48DOPE H16R 6137 5.575 3.748 4.275 1.7267 -0.3204 0.6412 48DOPE H16S 6138 5.693 3.880 4.270 0.0244 0.5469 -0.7941 48DOPE C217 6139 5.498 3.936 4.194 -0.0750 -0.4570 0.0487 48DOPE H17R 6140 5.403 3.878 4.199 0.3271 -1.1895 -0.6001 48DOPE H17S 6141 5.486 4.042 4.224 -0.2784 -0.0059 -1.4999 48DOPE C218 6142 5.560 3.932 4.054 0.3919 0.0846 0.2378 48DOPE H18R 6143 5.482 3.949 3.978 -0.8789 -3.0078 0.6723 48DOPE H18S 6144 5.616 3.838 4.029 0.1181 0.4179 -1.7956 48DOPE H18T 6145 5.637 4.011 4.048 -1.8739 2.4822 1.1382 48DOPE C33 6146 6.288 3.828 5.828 0.4898 0.0575 -0.4684 48DOPE H3X 6147 6.397 3.809 5.834 0.3987 -0.7090 -1.0364 48DOPE H3Y 6148 6.266 3.937 5.820 -2.4655 -0.4262 -0.1192 48DOPE C34 6149 6.245 3.769 5.693 -0.8926 -0.4976 0.2007 48DOPE H4X 6150 6.137 3.758 5.672 -1.4939 -0.6146 2.9255 48DOPE H4Y 6151 6.288 3.667 5.685 1.3959 0.5770 -2.8916 48DOPE C35 6152 6.304 3.847 5.575 -0.3557 -0.4608 0.4911 48DOPE H5X 6153 6.414 3.848 5.559 -0.5734 0.8532 -1.1219 48DOPE H5Y 6154 6.274 3.950 5.603 0.9915 0.0995 -0.0262 48DOPE C36 6155 6.241 3.818 5.439 -0.1756 -0.2356 0.3594 48DOPE H6X 6156 6.130 3.819 5.451 -0.1585 1.5447 0.6166 48DOPE H6Y 6157 6.270 3.903 5.373 -0.1199 -0.6116 -0.1028 48DOPE C37 6158 6.282 3.688 5.370 0.1318 0.3359 -0.5528 48DOPE H7X 6159 6.386 3.692 5.331 -0.4927 -1.4172 -2.5631 48DOPE H7Y 6160 6.269 3.603 5.441 0.2635 0.6116 -0.1944 48DOPE C38 6161 6.192 3.652 5.252 -0.2051 -0.1824 -0.1435 48DOPE H8X 6162 6.085 3.644 5.281 -0.9791 -1.9989 -3.1036 48DOPE H8Y 6163 6.208 3.737 5.183 4.1460 0.6858 1.5634 48DOPE C39 6164 6.237 3.521 5.195 -0.3400 -0.3223 0.0709 48DOPE H9X 6165 6.301 3.461 5.261 2.4966 1.2364 -1.1140 48DOPE C310 6166 6.191 3.468 5.080 -0.1818 -0.3317 0.0121 48DOPE H10X 6167 6.236 3.379 5.032 -0.8987 1.9993 -5.7036 48DOPE C311 6168 6.101 3.536 4.981 0.4344 -0.2871 -0.5273 48DOPE H11X 6169 6.097 3.645 5.000 -1.0360 -0.7365 2.5303 48DOPE H11Y 6170 5.998 3.500 5.003 1.0841 -1.9409 -0.0179 48DOPE C312 6171 6.148 3.508 4.839 0.1242 0.1538 -0.7177 48DOPE H12X 6172 6.052 3.506 4.784 0.1901 -1.2589 -0.8229 48DOPE H12Y 6173 6.190 3.405 4.842 -2.7878 -1.1126 1.6355 48DOPE C313 6174 6.249 3.606 4.777 0.7410 -0.0713 -0.0818 48DOPE H13X 6175 6.195 3.701 4.754 -0.2196 -0.3638 0.8362 48DOPE H13Y 6176 6.315 3.634 4.862 -1.1315 -0.9163 1.7527 48DOPE C314 6177 6.321 3.564 4.649 0.0055 -0.0612 -0.5102 48DOPE H14X 6178 6.246 3.553 4.569 1.4367 -0.6282 -1.8325 48DOPE H14Y 6179 6.357 3.463 4.678 -0.3422 0.3925 1.6798 48DOPE C315 6180 6.435 3.656 4.606 -0.0078 -0.0861 -0.5976 48DOPE H15X 6181 6.513 3.658 4.685 0.7231 -1.0466 -1.2740 48DOPE H15Y 6182 6.469 3.615 4.508 1.6833 0.8415 -0.4432 48DOPE C316 6183 6.388 3.800 4.583 -0.4855 -0.1547 -0.0712 48DOPE H16X 6184 6.390 3.850 4.682 -0.3753 1.2657 -0.7637 48DOPE H16Y 6185 6.282 3.815 4.555 -1.0012 -0.7096 1.4809 48DOPE C317 6186 6.478 3.877 4.485 -0.8337 0.1590 -0.1450 48DOPE H17X 6187 6.451 3.984 4.478 -1.8905 -0.1109 -0.3437 48DOPE H17Y 6188 6.584 3.872 4.516 -0.6738 0.7428 -0.5937 48DOPE C318 6189 6.475 3.822 4.343 -0.2088 -0.0637 -0.0725 48DOPE H18X 6190 6.547 3.872 4.274 -0.2721 -1.2387 -1.0329 48DOPE H18Y 6191 6.508 3.716 4.345 -2.6037 -0.8781 -0.8188 48DOPE H18Z 6192 6.373 3.821 4.299 0.0764 1.7656 -0.8778 49DOPE N 6193 2.442 3.787 6.615 -0.2758 0.2442 -0.1028 49DOPE HN1 6194 2.367 3.715 6.606 -1.7911 1.9547 -2.4670 49DOPE HN2 6195 2.529 3.733 6.631 -0.6078 -0.1895 0.2754 49DOPE HN3 6196 2.426 3.841 6.702 -0.5224 0.5029 -0.3055 49DOPE C12 6197 2.470 3.880 6.499 0.4032 -0.1905 -0.2925 49DOPE H12A 6198 2.373 3.929 6.476 -0.6070 -1.2514 1.4623 49DOPE H12B 6199 2.516 3.820 6.417 0.8002 0.0481 -0.2457 49DOPE C11 6200 2.573 3.982 6.547 -0.1057 0.0449 0.3079 49DOPE H11A 6201 2.596 4.050 6.462 -0.8567 -0.3414 -0.2201 49DOPE H11B 6202 2.664 3.924 6.572 -0.7218 -0.4358 1.5332 49DOPE P 6203 2.630 4.162 6.712 0.2918 0.2647 -0.2028 49DOPE O13 6204 2.750 4.083 6.750 0.5354 0.7305 0.0095 49DOPE O14 6205 2.566 4.240 6.821 0.1039 -0.1232 -0.0336 49DOPE O11 6206 2.669 4.258 6.590 0.0413 0.0853 -0.4256 49DOPE O12 6207 2.524 4.055 6.660 0.0374 0.3229 0.1918 49DOPE C1 6208 2.757 4.367 6.620 0.3819 -0.3409 0.1253 49DOPE HA 6209 2.834 4.345 6.698 1.7879 -2.2966 -1.6925 49DOPE HB 6210 2.688 4.446 6.657 0.3233 -0.0025 -0.6961 49DOPE C2 6211 2.823 4.419 6.491 0.0878 0.0246 0.1222 49DOPE HS 6212 2.885 4.508 6.515 0.0534 0.0888 -0.0292 49DOPE O21 6213 2.720 4.442 6.395 -0.0119 -0.0859 0.2019 49DOPE C21 6214 2.667 4.564 6.394 -0.2182 -0.1752 -0.0102 49DOPE O22 6215 2.676 4.639 6.490 0.1978 -0.3616 0.1014 49DOPE C22 6216 2.589 4.594 6.267 -0.5343 -0.5621 0.0927 49DOPE H2R 6217 2.515 4.673 6.290 0.9651 0.7360 0.5927 49DOPE H2S 6218 2.521 4.510 6.241 -1.2300 -0.9950 2.9517 49DOPE C3 6219 2.915 4.312 6.430 0.4262 0.3158 0.1227 49DOPE HX 6220 2.842 4.228 6.425 -0.1343 0.7972 0.1467 49DOPE HY 6221 2.994 4.265 6.492 -0.3396 1.3442 1.9644 49DOPE O31 6222 2.969 4.343 6.301 -0.2188 0.4585 -0.1165 49DOPE C31 6223 3.083 4.412 6.310 -0.1916 0.3787 0.1513 49DOPE O32 6224 3.126 4.454 6.416 0.3304 0.3710 -0.0526 49DOPE C32 6225 3.153 4.443 6.179 0.1904 0.1485 0.2997 49DOPE H2X 6226 3.243 4.378 6.172 0.1340 -0.0153 1.0475 49DOPE H2Y 6227 3.084 4.423 6.094 -0.8562 1.1814 0.8850 49DOPE C23 6228 2.684 4.635 6.154 -0.2056 0.2007 0.6428 49DOPE H3R 6229 2.788 4.624 6.191 0.4616 1.8477 -0.6302 49DOPE H3S 6230 2.661 4.738 6.119 -1.4759 -0.5554 -0.8773 49DOPE C24 6231 2.666 4.540 6.036 1.0765 -0.2179 0.7726 49DOPE H4R 6232 2.562 4.548 5.999 1.7697 -0.2940 -1.3087 49DOPE H4S 6233 2.682 4.434 6.068 -1.7909 -0.5216 1.4539 49DOPE C25 6234 2.755 4.579 5.917 0.0545 -0.3092 -0.0305 49DOPE H5R 6235 2.861 4.576 5.949 -0.2809 -1.3132 1.0825 49DOPE H5S 6236 2.732 4.682 5.884 -1.1618 -1.2653 -2.3955 49DOPE C26 6237 2.749 4.473 5.807 0.1287 -0.0380 -0.2955 49DOPE H6R 6238 2.641 4.468 5.779 0.4996 -0.8277 -1.6829 49DOPE H6S 6239 2.779 4.371 5.838 1.1022 0.7464 1.5167 49DOPE C27 6240 2.834 4.516 5.687 0.3288 -0.1181 -0.1827 49DOPE H7R 6241 2.933 4.523 5.737 0.9015 1.7565 -1.4920 49DOPE H7S 6242 2.805 4.620 5.660 2.1207 0.9098 1.5264 49DOPE C28 6243 2.828 4.416 5.572 0.0480 0.0506 -0.3143 49DOPE H8R 6244 2.721 4.403 5.543 -0.5816 3.9392 -0.2478 49DOPE H8S 6245 2.866 4.318 5.607 2.0115 0.7200 -0.4910 49DOPE C29 6246 2.903 4.482 5.460 0.4554 -0.3452 -0.2772 49DOPE H9R 6247 3.001 4.523 5.489 0.1118 0.9410 -0.8456 49DOPE C210 6248 2.857 4.514 5.338 -0.8261 0.2582 0.3461 49DOPE H10R 6249 2.929 4.562 5.270 0.5904 0.0835 1.6590 49DOPE C211 6250 2.725 4.477 5.277 -0.5626 -0.1727 0.0339 49DOPE H11R 6251 2.655 4.562 5.261 -1.9669 -1.2398 0.2562 49DOPE H11S 6252 2.660 4.413 5.341 -2.5787 1.8221 0.1000 49DOPE C212 6253 2.741 4.434 5.131 -0.5252 -0.2049 0.0478 49DOPE H12R 6254 2.826 4.493 5.091 -0.0330 -2.1223 -1.9210 49DOPE H12S 6255 2.652 4.462 5.072 -0.5449 0.9230 0.5867 49DOPE C213 6256 2.790 4.290 5.118 -0.0189 -0.0807 0.4897 49DOPE H13R 6257 2.705 4.227 5.153 0.7861 -2.3484 -1.3369 49DOPE H13S 6258 2.875 4.271 5.186 -0.2688 0.0688 0.8449 49DOPE C214 6259 2.822 4.253 4.973 -0.7228 0.5249 0.1732 49DOPE H14R 6260 2.930 4.275 4.956 -1.2315 2.2868 -1.0473 49DOPE H14S 6261 2.774 4.330 4.908 -0.3625 0.6265 0.0223 49DOPE C215 6262 2.797 4.108 4.934 -0.1603 0.4702 0.0043 49DOPE H15R 6263 2.687 4.100 4.941 -0.2265 0.0401 -1.2294 49DOPE H15S 6264 2.828 4.034 5.011 -0.3675 -0.0041 -0.3621 49DOPE C216 6265 2.856 4.077 4.796 -0.3899 0.3775 -0.0745 49DOPE H16R 6266 2.968 4.075 4.795 -0.3753 -1.6943 -0.6405 49DOPE H16S 6267 2.816 4.160 4.735 0.2359 -0.5510 -1.8199 49DOPE C217 6268 2.809 3.946 4.733 -0.1068 0.3227 -0.1751 49DOPE H17R 6269 2.700 3.926 4.725 0.4650 -2.8274 -2.0767 49DOPE H17S 6270 2.863 3.868 4.791 0.9701 1.8989 1.0174 49DOPE C218 6271 2.854 3.939 4.587 0.1836 0.2853 -0.0838 49DOPE H18R 6272 2.963 3.957 4.577 0.3057 -1.2931 -2.4674 49DOPE H18S 6273 2.801 4.008 4.518 -0.2729 1.0332 0.9889 49DOPE H18T 6274 2.816 3.847 4.538 -0.6366 0.8244 -0.4945 49DOPE C33 6275 3.194 4.590 6.183 -0.2097 0.2605 0.3268 49DOPE H3X 6276 3.276 4.596 6.259 0.8347 3.9748 -0.9036 49DOPE H3Y 6277 3.106 4.643 6.226 -1.2506 -3.2386 2.9827 49DOPE C34 6278 3.246 4.654 6.055 0.4161 -0.7202 0.0789 49DOPE H4X 6279 3.345 4.605 6.040 -0.0681 -2.1949 1.4810 49DOPE H4Y 6280 3.263 4.761 6.081 -1.1217 -0.3678 -0.2883 49DOPE C35 6281 3.167 4.648 5.924 0.5467 -0.5299 -0.0096 49DOPE H5X 6282 3.065 4.691 5.936 -0.1575 -2.6833 2.7785 49DOPE H5Y 6283 3.141 4.547 5.887 -0.1240 0.1058 -1.3701 49DOPE C36 6284 3.236 4.733 5.817 0.1158 -0.1849 -0.0164 49DOPE H6X 6285 3.264 4.667 5.732 -0.3306 1.4184 -1.4579 49DOPE H6Y 6286 3.333 4.784 5.833 -0.6993 1.4664 -0.0738 49DOPE C37 6287 3.133 4.836 5.768 0.3084 0.4580 0.8998 49DOPE H7X 6288 3.034 4.787 5.759 -0.4076 1.8068 1.1961 49DOPE H7Y 6289 3.122 4.921 5.838 -0.1750 -0.0133 1.4021 49DOPE C38 6290 3.166 4.900 5.633 0.3837 0.0053 0.6977 49DOPE H8X 6291 3.261 4.956 5.646 0.3233 1.0176 -2.4702 49DOPE H8Y 6292 3.178 4.816 5.562 -0.9271 -2.0613 2.8018 49DOPE C39 6293 3.052 4.995 5.607 0.5790 0.0748 0.0882 49DOPE H9X 6294 3.065 5.090 5.660 2.9834 0.6024 -1.3257 49DOPE C310 6295 2.947 4.979 5.525 0.2243 0.6364 0.4288 49DOPE H10X 6296 2.868 5.054 5.539 1.0316 1.4282 0.8388 49DOPE C311 6297 2.902 4.862 5.442 -0.2308 0.7490 0.5133 49DOPE H11X 6298 2.827 4.806 5.501 0.8621 -0.0179 1.2173 49DOPE H11Y 6299 2.983 4.799 5.400 -1.5116 -0.1799 -0.6465 49DOPE C312 6300 2.822 4.932 5.332 -0.5393 0.0783 0.3049 49DOPE H12X 6301 2.895 4.986 5.268 1.6374 -3.0372 -0.0322 49DOPE H12Y 6302 2.748 5.003 5.375 -1.5260 -0.8807 0.2288 49DOPE C313 6303 2.755 4.832 5.238 0.3284 -0.1195 -0.1131 49DOPE H13X 6304 2.683 4.773 5.298 -0.8793 -0.0551 -1.4427 49DOPE H13Y 6305 2.824 4.773 5.174 -1.6860 -2.9095 0.0965 49DOPE C314 6306 2.671 4.894 5.126 0.1098 0.0279 0.1317 49DOPE H14X 6307 2.720 4.986 5.087 0.6770 0.7127 2.2882 49DOPE H14Y 6308 2.654 4.815 5.050 2.2433 2.3965 -3.0628 49DOPE C315 6309 2.539 4.946 5.185 0.0219 0.0722 -0.1030 49DOPE H15X 6310 2.490 4.870 5.250 -0.2216 0.0065 -0.3637 49DOPE H15Y 6311 2.564 5.036 5.245 -0.4923 0.1177 0.0418 49DOPE C316 6312 2.442 4.994 5.078 -0.0725 0.0423 -0.0317 49DOPE H16X 6313 2.490 5.088 5.043 -0.6785 0.1755 -0.5354 49DOPE H16Y 6314 2.343 5.015 5.125 0.9221 -0.1525 2.2614 49DOPE C317 6315 2.414 4.904 4.957 0.4880 -0.1207 -0.0432 49DOPE H17X 6316 2.336 4.961 4.902 -0.4685 -1.3948 -0.0425 49DOPE H17Y 6317 2.504 4.889 4.895 0.3856 1.0519 -0.4968 49DOPE C318 6318 2.347 4.771 4.992 -0.0828 0.3687 0.7730 49DOPE H18X 6319 2.251 4.786 5.046 -1.3429 -0.8510 -0.9848 49DOPE H18Y 6320 2.328 4.706 4.903 -0.2862 -0.9822 1.7741 49DOPE H18Z 6321 2.419 4.722 5.061 1.6871 1.3443 -0.3177 50DOPE N 6322 1.855 3.813 7.014 0.1865 -0.4720 -0.1867 50DOPE HN1 6323 1.789 3.766 7.080 -0.7498 1.7940 0.5963 50DOPE HN2 6324 1.851 3.916 7.025 -0.6588 -0.5847 0.6780 50DOPE HN3 6325 1.816 3.801 6.918 1.7107 -1.3754 -0.7211 50DOPE C12 6326 1.991 3.755 7.043 0.3332 0.0126 0.1012 50DOPE H12A 6327 1.989 3.652 7.000 -1.6211 0.6714 -1.4921 50DOPE H12B 6328 1.990 3.744 7.154 -1.6103 0.5328 0.1652 50DOPE C11 6329 2.097 3.847 6.983 0.1387 0.0738 -0.1489 50DOPE H11A 6330 2.193 3.800 7.011 -0.0340 0.3616 0.9814 50DOPE H11B 6331 2.094 3.948 7.031 -1.7925 -0.1508 0.3038 50DOPE P 6332 2.187 3.960 6.791 0.0248 0.3060 0.5136 50DOPE O13 6333 2.151 4.095 6.842 -0.2605 0.3217 0.2751 50DOPE O14 6334 2.321 3.912 6.833 -0.0258 -0.3306 -0.0336 50DOPE O11 6335 2.177 3.954 6.632 0.1265 0.0765 0.5156 50DOPE O12 6336 2.079 3.854 6.842 -0.0629 0.0903 -0.1225 50DOPE C1 6337 2.048 3.961 6.572 0.0504 -0.1672 0.6510 50DOPE HA 6338 2.058 4.029 6.485 0.8087 0.0068 0.8655 50DOPE HB 6339 1.979 4.015 6.641 -1.2969 -1.7206 0.5891 50DOPE C2 6340 1.977 3.830 6.534 -0.0377 0.1832 -0.4494 50DOPE HS 6341 1.958 3.772 6.627 0.1306 0.4141 -0.2710 50DOPE O21 6342 2.054 3.755 6.439 0.0822 0.0312 -0.2357 50DOPE C21 6343 2.010 3.633 6.407 0.3015 -0.1641 0.2085 50DOPE O22 6344 1.910 3.581 6.453 0.4139 -0.1078 0.5209 50DOPE C22 6345 2.098 3.586 6.293 0.0131 -0.0526 -0.0607 50DOPE H2R 6346 2.180 3.518 6.324 0.9138 1.8244 1.8750 50DOPE H2S 6347 2.154 3.666 6.240 0.3366 -1.5886 -2.1863 50DOPE C3 6348 1.843 3.870 6.472 -0.4675 0.2397 0.5033 50DOPE HX 6349 1.783 3.911 6.557 1.1941 0.0796 1.8022 50DOPE HY 6350 1.790 3.777 6.442 1.0272 -0.5956 0.3800 50DOPE O31 6351 1.860 3.955 6.358 0.1773 -0.2256 0.2509 50DOPE C31 6352 1.740 3.995 6.314 0.2764 0.0455 0.2258 50DOPE O32 6353 1.636 3.958 6.366 0.2398 -0.0436 0.0893 50DOPE C32 6354 1.762 4.106 6.213 -0.5197 0.5751 0.6286 50DOPE H2X 6355 1.777 4.203 6.266 -1.4760 1.6275 -0.9728 50DOPE H2Y 6356 1.851 4.080 6.152 -0.7658 -0.0102 0.5194 50DOPE C23 6357 2.023 3.514 6.180 0.1716 0.0295 -0.2177 50DOPE H3R 6358 1.983 3.580 6.100 -1.0348 -1.2087 -0.6765 50DOPE H3S 6359 1.940 3.454 6.222 0.4787 -0.6830 -0.6138 50DOPE C24 6360 2.105 3.416 6.095 0.2252 -0.1169 0.0030 50DOPE H4R 6361 2.168 3.357 6.165 -1.2438 0.0988 1.5962 50DOPE H4S 6362 2.173 3.476 6.031 1.3767 -2.9579 -1.5785 50DOPE C25 6363 2.021 3.325 6.006 0.1567 0.5801 -0.6579 50DOPE H5R 6364 1.936 3.379 5.960 -2.1613 -2.0767 0.2033 50DOPE H5S 6365 1.976 3.244 6.068 -0.1849 0.3141 -1.2463 50DOPE C26 6366 2.096 3.254 5.893 0.0728 -0.0043 -0.3532 50DOPE H6R 6367 2.035 3.174 5.846 -0.9602 1.2823 -1.3015 50DOPE H6S 6368 2.175 3.184 5.927 -1.8347 -2.8715 -1.4082 50DOPE C27 6369 2.150 3.344 5.782 -0.1298 0.0921 -0.3752 50DOPE H7R 6370 2.200 3.433 5.827 0.7779 -0.6211 0.0590 50DOPE H7S 6371 2.068 3.382 5.718 -0.2714 0.3006 -0.0682 50DOPE C28 6372 2.248 3.274 5.687 0.1907 0.1504 -0.0905 50DOPE H8R 6373 2.205 3.175 5.662 0.4072 -0.1150 0.5792 50DOPE H8S 6374 2.346 3.258 5.736 0.5906 0.4946 -0.7644 50DOPE C29 6375 2.255 3.358 5.562 0.0903 0.4363 0.0954 50DOPE H9R 6376 2.270 3.464 5.590 3.5318 0.2854 -0.7550 50DOPE C210 6377 2.241 3.316 5.436 -0.0879 -0.5715 0.4442 50DOPE H10R 6378 2.237 3.388 5.353 -0.8902 0.0645 1.0126 50DOPE C211 6379 2.225 3.170 5.404 0.4106 -0.6417 0.5149 50DOPE H11R 6380 2.123 3.138 5.434 0.0585 1.2924 1.5491 50DOPE H11S 6381 2.301 3.109 5.458 -0.3043 -0.7401 1.4384 50DOPE C212 6382 2.247 3.144 5.255 0.3404 -0.1229 0.4110 50DOPE H12R 6383 2.349 3.173 5.222 1.0244 -3.0368 -0.3817 50DOPE H12S 6384 2.164 3.193 5.201 0.2984 0.0739 0.6532 50DOPE C213 6385 2.232 2.995 5.220 -0.0715 0.0110 0.0037 50DOPE H13R 6386 2.136 2.959 5.262 -0.2220 -0.2293 -0.5422 50DOPE H13S 6387 2.313 2.939 5.271 0.9108 2.0142 0.7801 50DOPE C214 6388 2.219 2.973 5.070 -0.2152 -0.0525 0.0253 50DOPE H14R 6389 2.130 3.034 5.043 0.2999 0.5272 -0.4071 50DOPE H14S 6390 2.204 2.865 5.050 -1.2254 -0.3793 2.2991 50DOPE C215 6391 2.340 3.028 4.994 -0.0035 -0.1792 0.2678 50DOPE H15R 6392 2.432 2.999 5.049 -0.7723 0.6046 2.0536 50DOPE H15S 6393 2.343 3.139 5.001 -0.2184 -0.1729 0.2468 50DOPE C216 6394 2.344 2.992 4.845 0.2889 0.0977 0.2063 50DOPE H16R 6395 2.260 3.038 4.789 0.5277 -0.0781 -0.3039 50DOPE H16S 6396 2.341 2.882 4.828 1.1983 0.0763 0.1274 50DOPE C217 6397 2.470 3.041 4.774 0.1734 -0.0351 -0.0899 50DOPE H17R 6398 2.553 2.999 4.835 -1.4855 -1.7576 1.0714 50DOPE H17S 6399 2.475 3.152 4.763 0.2033 -0.1006 -0.8107 50DOPE C218 6400 2.495 2.988 4.632 0.5589 0.9181 -0.3868 50DOPE H18R 6401 2.597 3.014 4.596 0.0086 3.9221 -0.0313 50DOPE H18S 6402 2.421 3.045 4.572 0.5503 3.1558 1.5631 50DOPE H18T 6403 2.474 2.879 4.638 1.1534 0.8478 0.6681 50DOPE C33 6404 1.638 4.123 6.125 -0.1150 0.1900 -0.0176 50DOPE H3X 6405 1.632 4.222 6.075 -1.4514 1.0218 1.6961 50DOPE H3Y 6406 1.542 4.118 6.179 -0.2060 -2.0069 -0.3009 50DOPE C34 6407 1.633 4.013 6.019 -0.6018 0.6264 -0.4516 50DOPE H4X 6408 1.652 3.915 6.067 1.3975 1.9047 1.5598 50DOPE H4Y 6409 1.527 4.009 5.986 -1.4767 -1.2586 2.2283 50DOPE C35 6410 1.731 4.045 5.906 0.6193 -0.0987 0.3795 50DOPE H5X 6411 1.829 4.013 5.946 0.8892 1.2420 0.8344 50DOPE H5Y 6412 1.727 4.154 5.885 -1.0552 -0.1620 0.2458 50DOPE C36 6413 1.705 3.972 5.774 0.4154 0.2809 0.2099 50DOPE H6X 6414 1.800 3.940 5.727 0.3191 1.8768 -1.1749 50DOPE H6Y 6415 1.649 3.879 5.794 0.5790 0.2550 0.5473 50DOPE C37 6416 1.643 4.061 5.665 0.4753 0.1555 0.0734 50DOPE H7X 6417 1.543 4.090 5.705 -0.1879 -0.8744 -0.7836 50DOPE H7Y 6418 1.701 4.155 5.650 1.5034 -0.3243 0.9017 50DOPE C38 6419 1.629 3.987 5.532 -0.3190 0.0404 0.2146 50DOPE H8X 6420 1.606 3.880 5.551 0.4035 -0.2359 -0.3941 50DOPE H8Y 6421 1.721 3.987 5.470 0.1049 2.4934 0.7406 50DOPE C39 6422 1.539 4.066 5.442 -0.3853 -0.4011 -0.1128 50DOPE H9X 6423 1.462 4.127 5.493 0.0470 -1.7797 2.3726 50DOPE C310 6424 1.551 4.085 5.310 -0.4713 0.3675 -0.0146 50DOPE H10X 6425 1.480 4.146 5.252 0.1627 -0.0772 -1.2768 50DOPE C311 6426 1.644 4.003 5.226 -0.3019 -0.1700 0.6893 50DOPE H11X 6427 1.699 4.073 5.160 -1.9686 -1.2600 -1.9980 50DOPE H11Y 6428 1.727 3.949 5.276 -0.2986 0.1677 1.0502 50DOPE C312 6429 1.572 3.912 5.126 0.4600 0.3503 -0.3528 50DOPE H12X 6430 1.474 3.951 5.093 1.2845 2.4318 -0.4624 50DOPE H12Y 6431 1.554 3.822 5.189 -1.7409 1.0951 0.1712 50DOPE C313 6432 1.667 3.881 5.011 0.1894 0.1928 -0.5351 50DOPE H13X 6433 1.765 3.851 5.056 -0.5783 -1.6326 0.0081 50DOPE H13Y 6434 1.679 3.971 4.947 -0.6068 -0.4820 -1.6694 50DOPE C314 6435 1.614 3.777 4.912 0.0059 -0.2250 -0.0011 50DOPE H14X 6436 1.586 3.687 4.970 -1.2596 -0.0946 -0.3791 50DOPE H14Y 6437 1.695 3.734 4.850 0.8388 -2.3720 2.3865 50DOPE C315 6438 1.498 3.816 4.820 0.0138 -0.0396 0.0660 50DOPE H15X 6439 1.510 3.925 4.807 0.0431 0.2857 2.4901 50DOPE H15Y 6440 1.503 3.767 4.720 1.9926 1.6365 -0.7195 50DOPE C316 6441 1.364 3.770 4.878 0.0293 -0.6287 -0.3493 50DOPE H16X 6442 1.369 3.661 4.894 0.8941 -0.1964 3.0408 50DOPE H16Y 6443 1.342 3.816 4.977 0.8504 -0.2070 -0.3549 50DOPE C317 6444 1.249 3.803 4.781 0.1319 -0.3704 -0.3860 50DOPE H17X 6445 1.218 3.909 4.785 -0.2505 -0.5100 0.5629 50DOPE H17Y 6446 1.288 3.781 4.680 -1.0927 1.3166 -1.2645 50DOPE C318 6447 1.128 3.716 4.817 0.1046 -0.3194 -0.3544 50DOPE H18X 6448 1.157 3.617 4.775 0.2889 0.4455 -2.1201 50DOPE H18Y 6449 1.123 3.712 4.928 1.0588 -0.1171 -0.2930 50DOPE H18Z 6450 1.035 3.752 4.768 0.2245 -0.9658 -1.0799 51DOPE N 6451 2.552 4.362 7.058 0.1551 -0.1471 -0.1304 51DOPE HN1 6452 2.565 4.326 6.961 -0.1295 1.9111 -0.9796 51DOPE HN2 6453 2.582 4.290 7.127 1.5330 -1.3413 -1.8814 51DOPE HN3 6454 2.454 4.381 7.084 0.4164 -0.6953 1.3338 51DOPE C12 6455 2.626 4.493 7.073 -0.0645 -0.0080 -0.2499 51DOPE H12A 6456 2.723 4.483 7.019 0.3044 -0.1036 0.4060 51DOPE H12B 6457 2.652 4.513 7.180 -0.8976 0.5851 -0.1530 51DOPE C11 6458 2.548 4.615 7.024 0.1200 0.1680 -0.1072 51DOPE H11A 6459 2.616 4.702 7.035 -1.5529 1.2755 2.2088 51DOPE H11B 6460 2.461 4.627 7.091 -0.6871 0.1835 -1.1430 51DOPE P 6461 2.445 4.723 6.828 -0.2378 -0.2162 -0.1098 51DOPE O13 6462 2.541 4.834 6.850 -0.5456 0.0558 -0.1260 51DOPE O14 6463 2.305 4.740 6.872 0.0063 0.3042 0.4859 51DOPE O11 6464 2.454 4.692 6.671 -0.0195 -0.0661 -0.1267 51DOPE O12 6465 2.502 4.588 6.891 0.6451 0.0760 -0.2728 51DOPE C1 6466 2.349 4.739 6.587 0.1451 0.6130 0.0415 51DOPE HA 6467 2.389 4.767 6.488 -0.7584 -0.3892 -0.6294 51DOPE HB 6468 2.302 4.826 6.638 0.1239 -0.1853 1.4541 51DOPE C2 6469 2.245 4.630 6.558 0.3580 0.3922 0.1097 51DOPE HS 6470 2.185 4.606 6.648 -1.3538 -1.2548 -1.3674 51DOPE O21 6471 2.314 4.506 6.537 -0.3276 0.0326 -0.0435 51DOPE C21 6472 2.235 4.399 6.522 -0.1687 -0.1873 0.6673 51DOPE O22 6473 2.114 4.399 6.517 -0.1431 -0.0917 -0.0584 51DOPE C22 6474 2.325 4.286 6.473 0.2514 0.4396 -0.0290 51DOPE H2R 6475 2.330 4.211 6.555 -1.7406 -0.0840 -0.3230 51DOPE H2S 6476 2.425 4.322 6.441 -0.4050 1.0098 -1.5317 51DOPE C3 6477 2.154 4.670 6.440 0.2964 -0.1407 -0.0263 51DOPE HX 6478 2.099 4.759 6.476 -0.3401 -0.2985 -0.5811 51DOPE HY 6479 2.079 4.589 6.427 0.5035 -0.4226 0.4848 51DOPE O31 6480 2.231 4.693 6.322 0.0588 -0.1289 -0.1787 51DOPE C31 6481 2.151 4.723 6.219 -0.0753 0.0698 -0.0164 51DOPE O32 6482 2.030 4.726 6.232 -0.0296 -0.3961 0.5384 51DOPE C32 6483 2.234 4.766 6.099 -0.3572 -0.2812 -0.3396 51DOPE H2X 6484 2.273 4.869 6.115 0.9404 -0.9304 0.9760 51DOPE H2Y 6485 2.316 4.692 6.089 0.2414 0.3105 0.1040 51DOPE C23 6486 2.254 4.230 6.349 0.3088 0.4667 -0.0736 51DOPE H3R 6487 2.146 4.207 6.361 0.7622 -1.4451 0.6566 51DOPE H3S 6488 2.291 4.130 6.317 -1.3629 0.3592 -1.8655 51DOPE C24 6489 2.268 4.312 6.220 0.1037 0.4272 -0.1218 51DOPE H4R 6490 2.376 4.329 6.198 0.1466 1.5062 0.8289 51DOPE H4S 6491 2.216 4.409 6.231 1.4929 1.0394 1.4958 51DOPE C25 6492 2.195 4.245 6.103 0.3108 -0.0140 -0.0033 51DOPE H5R 6493 2.087 4.252 6.125 0.3189 1.5323 -0.2956 51DOPE H5S 6494 2.219 4.137 6.103 0.7064 0.0665 0.7198 51DOPE C26 6495 2.234 4.314 5.972 -0.0101 0.0338 -0.0727 51DOPE H6R 6496 2.344 4.315 5.961 0.1823 -2.9116 0.8330 51DOPE H6S 6497 2.196 4.418 5.977 -1.9229 -0.4568 -2.5041 51DOPE C27 6498 2.179 4.242 5.848 -0.2253 0.0921 -0.0110 51DOPE H7R 6499 2.205 4.135 5.862 0.7231 0.6505 3.1333 51DOPE H7S 6500 2.222 4.283 5.754 1.7848 -0.0762 0.7842 51DOPE C28 6501 2.027 4.246 5.828 -0.1926 -0.3673 -0.3689 51DOPE H8R 6502 1.986 4.199 5.920 -0.5707 0.5310 -0.0647 51DOPE H8S 6503 1.998 4.184 5.741 -0.6909 -0.3315 -0.2313 51DOPE C29 6504 1.967 4.383 5.818 -0.0936 -0.2357 0.7157 51DOPE H9R 6505 1.961 4.435 5.915 1.9810 1.5537 -0.0313 51DOPE C210 6506 1.909 4.437 5.710 0.1497 -0.7033 0.3508 51DOPE H10R 6507 1.861 4.536 5.718 0.2935 -0.6037 0.0318 51DOPE C211 6508 1.892 4.375 5.574 0.4132 -0.3118 0.1348 51DOPE H11R 6509 1.857 4.270 5.585 -1.5837 0.3612 0.6316 51DOPE H11S 6510 1.977 4.374 5.502 -0.7170 -0.2826 -1.2484 51DOPE C212 6511 1.773 4.442 5.505 0.1064 -0.5636 0.4163 51DOPE H12R 6512 1.790 4.552 5.506 0.0179 -0.5503 1.1354 51DOPE H12S 6513 1.678 4.426 5.560 -0.9435 -1.2985 -1.5474 51DOPE C213 6514 1.743 4.378 5.370 -0.1383 0.3236 0.0480 51DOPE H13R 6515 1.634 4.392 5.348 -0.0409 1.0727 0.0069 51DOPE H13S 6516 1.765 4.270 5.384 -0.1027 0.4140 0.6977 51DOPE C214 6517 1.821 4.436 5.252 0.1027 0.0351 0.0657 51DOPE H14R 6518 1.928 4.439 5.284 -0.1165 -1.5370 1.0625 51DOPE H14S 6519 1.790 4.542 5.235 1.0100 0.2860 -0.0803 51DOPE C215 6520 1.792 4.372 5.116 -0.5079 0.3789 0.0322 51DOPE H15R 6521 1.844 4.274 5.109 -1.2585 0.0539 -1.3193 51DOPE H15S 6522 1.839 4.437 5.039 -0.6543 -0.6423 -0.9479 51DOPE C216 6523 1.644 4.358 5.081 -0.5191 0.3344 0.0969 51DOPE H16R 6524 1.591 4.456 5.085 -1.0946 0.0375 -0.1489 51DOPE H16S 6525 1.593 4.306 5.165 1.0822 1.8742 2.1333 51DOPE C217 6526 1.612 4.278 4.955 0.0513 0.1893 0.0446 51DOPE H17R 6527 1.685 4.194 4.951 1.9689 1.8293 -0.7600 51DOPE H17S 6528 1.633 4.341 4.866 -0.2196 1.3498 0.7809 51DOPE C218 6529 1.465 4.238 4.941 0.2043 -0.2625 -0.3164 51DOPE H18R 6530 1.432 4.168 5.020 -1.9600 -0.2339 -1.1286 51DOPE H18S 6531 1.449 4.183 4.846 -2.6700 0.4988 -0.3748 51DOPE H18T 6532 1.399 4.327 4.934 0.1139 0.0935 3.1909 51DOPE C33 6533 2.161 4.739 5.968 0.1233 0.1106 -0.6952 51DOPE H3X 6534 2.122 4.635 5.974 -0.8561 0.5314 0.8672 51DOPE H3Y 6535 2.239 4.745 5.889 1.2615 0.6558 0.4287 51DOPE C34 6536 2.046 4.835 5.938 -0.2419 -0.1223 -0.0694 51DOPE H4X 6537 2.074 4.937 5.973 1.0847 -0.2297 -0.7383 51DOPE H4Y 6538 1.966 4.800 6.006 0.0558 0.4343 0.5795 51DOPE C35 6539 1.992 4.842 5.795 0.0816 0.0285 -0.1857 51DOPE H5X 6540 2.070 4.896 5.737 -0.2692 0.7945 0.0373 51DOPE H5Y 6541 1.994 4.738 5.756 0.9424 -0.5295 1.2910 51DOPE C36 6542 1.862 4.922 5.782 0.0006 -0.1175 -0.2677 51DOPE H6X 6543 1.886 5.014 5.839 -0.0425 -0.4307 0.2654 51DOPE H6Y 6544 1.773 4.882 5.836 0.5528 -0.0262 0.7245 51DOPE C37 6545 1.817 4.946 5.638 0.2422 -0.0897 -0.3387 51DOPE H7X 6546 1.717 4.995 5.643 1.0498 1.7975 -1.6311 51DOPE H7Y 6547 1.896 5.007 5.590 0.0022 0.9610 0.5751 51DOPE C38 6548 1.785 4.822 5.554 0.4905 0.0118 -0.5826 51DOPE H8X 6549 1.732 4.752 5.621 1.2668 -0.6271 -0.6087 51DOPE H8Y 6550 1.887 4.780 5.538 0.4691 0.2996 -1.5851 51DOPE C39 6551 1.706 4.851 5.429 -0.2611 -0.3583 -0.1993 51DOPE H9X 6552 1.769 4.902 5.355 0.7489 -0.3381 0.6344 51DOPE C310 6553 1.574 4.836 5.416 -0.4314 0.5808 0.3220 51DOPE H10X 6554 1.517 4.876 5.331 -2.3188 -1.7399 0.3800 51DOPE C311 6555 1.489 4.760 5.513 -0.2560 0.4666 0.3872 51DOPE H11X 6556 1.533 4.660 5.534 0.3723 0.3623 -1.2977 51DOPE H11Y 6557 1.483 4.824 5.603 -0.9013 1.2707 -0.2180 51DOPE C312 6558 1.349 4.729 5.459 -0.2255 0.3183 0.3908 51DOPE H12X 6559 1.292 4.812 5.412 0.3915 1.0642 0.9384 51DOPE H12Y 6560 1.289 4.722 5.552 -0.9913 2.2027 0.0978 51DOPE C313 6561 1.325 4.602 5.377 0.1308 0.3805 0.1877 51DOPE H13X 6562 1.216 4.579 5.372 0.2768 -0.2983 0.0760 51DOPE H13Y 6563 1.384 4.523 5.429 2.1583 2.2949 0.9482 51DOPE C314 6564 1.378 4.599 5.234 -0.0134 -0.4853 0.1432 51DOPE H14X 6565 1.488 4.617 5.227 -0.2166 0.6852 -0.4297 51DOPE H14Y 6566 1.364 4.496 5.195 0.8090 0.1293 -1.9541 51DOPE C315 6567 1.299 4.689 5.138 -0.0033 -0.2830 0.3249 51DOPE H15X 6568 1.192 4.668 5.158 0.0626 -0.0541 0.9543 51DOPE H15Y 6569 1.311 4.797 5.163 -0.0310 -0.2089 0.0221 51DOPE C316 6570 1.314 4.670 4.987 0.1934 0.0317 0.3045 51DOPE H16X 6571 1.384 4.747 4.945 -1.0037 1.1251 0.2532 51DOPE H16Y 6572 1.340 4.564 4.970 -1.9163 -0.7552 1.6072 51DOPE C317 6573 1.179 4.692 4.919 0.2375 -0.1858 0.1472 51DOPE H17X 6574 1.102 4.615 4.941 -0.9683 1.8124 3.7948 51DOPE H17Y 6575 1.134 4.791 4.943 -0.5326 0.2702 -2.8061 51DOPE C318 6576 1.182 4.705 4.767 0.7286 -0.1374 0.1601 51DOPE H18X 6577 1.246 4.793 4.744 -0.4771 0.7429 0.1130 51DOPE H18Y 6578 1.216 4.615 4.712 -0.6704 0.0815 -1.1157 51DOPE H18Z 6579 1.083 4.733 4.725 1.6250 0.6248 -1.5394 52DOPE N 6580 1.304 1.785 6.488 -0.1017 0.3899 -0.1902 52DOPE HN1 6581 1.218 1.835 6.457 1.5548 2.4018 -1.8492 52DOPE HN2 6582 1.317 1.705 6.423 -2.8936 -0.1755 -0.1837 52DOPE HN3 6583 1.300 1.755 6.587 -0.6721 2.2967 0.4060 52DOPE C12 6584 1.415 1.885 6.471 0.3302 0.0725 0.7030 52DOPE H12A 6585 1.396 1.937 6.375 0.3654 -1.2784 -0.0570 52DOPE H12B 6586 1.502 1.820 6.449 -0.7645 -1.5881 1.0965 52DOPE C11 6587 1.419 1.991 6.582 -0.1755 0.0964 0.7029 52DOPE H11A 6588 1.477 2.072 6.533 -0.2476 -1.4863 -2.2409 52DOPE H11B 6589 1.478 1.945 6.664 -0.9440 -0.9014 0.7204 52DOPE P 6590 1.301 2.132 6.751 -0.0413 -0.2083 -0.3557 52DOPE O13 6591 1.386 2.076 6.858 0.0940 0.1864 -0.2557 52DOPE O14 6592 1.163 2.164 6.792 -0.0192 -0.4897 -0.0620 52DOPE O11 6593 1.362 2.267 6.690 -0.1792 -0.1629 -0.3934 52DOPE O12 6594 1.290 2.038 6.622 -0.6876 -0.7514 0.0855 52DOPE C1 6595 1.270 2.350 6.619 0.0368 0.4204 0.0019 52DOPE HA 6596 1.225 2.436 6.674 -2.5373 -0.0500 -1.2050 52DOPE HB 6597 1.183 2.290 6.584 -0.1154 -0.3676 1.6570 52DOPE C2 6598 1.331 2.403 6.488 -0.4928 0.0782 -0.3922 52DOPE HS 6599 1.264 2.485 6.456 -1.4359 -0.9591 -1.0935 52DOPE O21 6600 1.348 2.303 6.388 0.1819 -0.2495 0.0377 52DOPE C21 6601 1.353 2.357 6.266 0.2661 0.3367 0.2975 52DOPE O22 6602 1.315 2.467 6.230 -0.4172 -0.2020 -0.6877 52DOPE C22 6603 1.411 2.252 6.172 0.2625 0.2059 0.4407 52DOPE H2R 6604 1.324 2.190 6.144 0.9254 -0.4721 -0.1496 52DOPE H2S 6605 1.481 2.181 6.222 -0.2297 0.8746 2.1393 52DOPE C3 6606 1.472 2.459 6.517 -0.2043 -0.3119 -1.0186 52DOPE HX 6607 1.545 2.376 6.530 2.3785 1.7157 -1.6726 52DOPE HY 6608 1.455 2.512 6.613 -1.1840 -1.6653 -0.4053 52DOPE O31 6609 1.532 2.547 6.422 0.7673 0.0753 -0.0742 52DOPE C31 6610 1.486 2.672 6.408 0.4550 -0.0000 0.2775 52DOPE O32 6611 1.391 2.720 6.468 0.4405 -0.0586 0.3015 52DOPE C32 6612 1.572 2.743 6.305 0.3713 -0.0655 0.1628 52DOPE H2X 6613 1.565 2.853 6.318 2.7665 0.2657 -0.8124 52DOPE H2Y 6614 1.677 2.710 6.317 0.2146 -0.5277 0.2747 52DOPE C23 6615 1.460 2.309 6.039 -0.3029 -0.4099 -0.0365 52DOPE H3R 6616 1.563 2.348 6.052 -0.1245 -0.7057 -0.5321 52DOPE H3S 6617 1.397 2.396 6.011 0.8720 0.1057 -1.1770 52DOPE C24 6618 1.455 2.216 5.917 0.1610 -0.1058 -0.2911 52DOPE H4R 6619 1.350 2.187 5.896 0.2108 0.4819 -1.4205 52DOPE H4S 6620 1.521 2.129 5.934 0.6191 0.1783 -0.5927 52DOPE C25 6621 1.518 2.275 5.791 -0.5732 0.0558 -0.5859 52DOPE H5R 6622 1.624 2.287 5.820 -0.9925 -1.8640 2.0353 52DOPE H5S 6623 1.471 2.367 5.748 -1.9315 -1.5097 -2.6755 52DOPE C26 6624 1.519 2.176 5.674 0.6092 -0.0623 -0.4808 52DOPE H6R 6625 1.415 2.141 5.661 0.1108 1.7806 -1.8494 52DOPE H6S 6626 1.586 2.090 5.694 -0.5934 -0.5180 2.0643 52DOPE C27 6627 1.544 2.244 5.539 0.0881 0.0336 -0.5298 52DOPE H7R 6628 1.627 2.315 5.558 0.7924 -1.0525 0.5968 52DOPE H7S 6629 1.457 2.308 5.514 -1.7681 -1.7286 1.0520 52DOPE C28 6630 1.573 2.147 5.425 0.4777 0.1597 -0.5401 52DOPE H8R 6631 1.484 2.081 5.413 0.9746 -0.7271 0.5452 52DOPE H8S 6632 1.651 2.078 5.462 -0.9347 0.0413 2.4728 52DOPE C29 6633 1.608 2.216 5.296 0.0685 0.4691 -0.4867 52DOPE H9R 6634 1.565 2.317 5.286 3.0523 2.1781 1.9278 52DOPE C210 6635 1.653 2.161 5.183 -0.0781 0.4336 -0.5289 52DOPE H10R 6636 1.692 2.227 5.103 -0.4704 0.3753 -0.7694 52DOPE C211 6637 1.697 2.019 5.160 0.1494 0.2961 0.7178 52DOPE H11R 6638 1.631 1.978 5.081 0.2196 -0.8465 1.2276 52DOPE H11S 6639 1.685 1.953 5.249 2.4505 0.6458 1.3554 52DOPE C212 6640 1.845 2.019 5.120 -0.0518 -0.6797 -0.0555 52DOPE H12R 6641 1.904 2.041 5.211 1.3807 0.2651 -1.1705 52DOPE H12S 6642 1.857 2.100 5.045 -1.7234 -0.5123 -0.1755 52DOPE C213 6643 1.890 1.882 5.069 0.1114 -0.6077 -0.1044 52DOPE H13R 6644 1.883 1.817 5.158 -0.4250 0.2776 0.5176 52DOPE H13S 6645 1.994 1.893 5.032 0.2164 1.0759 0.5938 52DOPE C214 6646 1.791 1.829 4.966 -0.4398 -0.2623 0.2464 52DOPE H14R 6647 1.772 1.909 4.891 1.1824 -0.1295 -0.0532 52DOPE H14S 6648 1.705 1.795 5.027 0.3137 1.2926 2.2815 52DOPE C215 6649 1.832 1.710 4.879 -0.0642 -0.3913 0.5978 52DOPE H15R 6650 1.748 1.698 4.807 1.3745 1.7282 -1.5832 52DOPE H15S 6651 1.854 1.611 4.924 -2.0409 -0.4278 1.5905 52DOPE C216 6652 1.955 1.738 4.793 -0.5255 -0.3539 -0.0601 52DOPE H16R 6653 2.046 1.712 4.851 -0.0419 -1.7707 -1.3936 52DOPE H16S 6654 1.945 1.845 4.764 0.4715 -0.0607 0.6235 52DOPE C217 6655 1.973 1.657 4.665 0.1272 -0.1866 -0.0788 52DOPE H17R 6656 2.035 1.723 4.601 1.6521 -2.3705 -1.0108 52DOPE H17S 6657 1.875 1.642 4.614 -0.0116 0.3136 0.0424 52DOPE C218 6658 2.042 1.521 4.681 0.1442 -0.1916 -0.1937 52DOPE H18R 6659 2.083 1.496 4.581 2.1477 -0.3339 0.6017 52DOPE H18S 6660 1.968 1.442 4.704 0.5222 -0.5646 -0.2408 52DOPE H18T 6661 2.117 1.542 4.761 -0.3185 0.1497 0.1514 52DOPE C33 6662 1.524 2.701 6.166 0.3746 0.0586 0.1245 52DOPE H3X 6663 1.414 2.720 6.161 0.6429 2.1626 0.9808 52DOPE H3Y 6664 1.531 2.590 6.164 0.9974 -0.0092 2.7009 52DOPE C34 6665 1.596 2.752 6.041 0.1755 -0.5740 -0.2504 52DOPE H4X 6666 1.560 2.856 6.035 1.7505 0.0902 0.9912 52DOPE H4Y 6667 1.705 2.758 6.062 -0.1372 0.5334 1.1834 52DOPE C35 6668 1.559 2.682 5.910 -0.2009 -0.2022 -0.3420 52DOPE H5X 6669 1.453 2.698 5.881 0.1059 1.9287 -0.4016 52DOPE H5Y 6670 1.582 2.574 5.919 1.1422 0.2148 1.7381 52DOPE C36 6671 1.649 2.728 5.796 0.4479 -0.3287 0.1179 52DOPE H6X 6672 1.757 2.721 5.823 0.9269 2.2085 -0.8545 52DOPE H6Y 6673 1.622 2.831 5.765 -2.0796 -1.0573 -0.3115 52DOPE C37 6674 1.614 2.641 5.675 -0.0142 0.1718 -0.1113 52DOPE H7X 6675 1.628 2.534 5.699 1.1282 0.4306 0.4942 52DOPE H7Y 6676 1.506 2.658 5.656 -0.3526 -0.8437 0.8082 52DOPE C38 6677 1.679 2.672 5.540 0.3467 0.2185 0.0697 52DOPE H8X 6678 1.647 2.777 5.522 1.4578 0.5363 -0.1559 52DOPE H8Y 6679 1.789 2.677 5.556 0.7233 2.3335 -2.3659 52DOPE C39 6680 1.644 2.580 5.427 0.2093 0.0024 0.2882 52DOPE H9X 6681 1.548 2.526 5.435 -0.7514 1.1384 -2.3191 52DOPE C310 6682 1.722 2.545 5.323 -0.3616 0.9770 -0.4855 52DOPE H10X 6683 1.691 2.457 5.264 0.4906 -0.4328 1.0815 52DOPE C311 6684 1.864 2.592 5.324 0.0669 -0.2951 -0.0939 52DOPE H11X 6685 1.929 2.548 5.403 1.2872 0.1825 -0.7974 52DOPE H11Y 6686 1.865 2.703 5.323 0.5446 -0.2730 1.2659 52DOPE C312 6687 1.916 2.536 5.191 0.0912 -0.1313 -0.1541 52DOPE H12X 6688 1.862 2.580 5.104 1.6679 0.8559 -0.6706 52DOPE H12Y 6689 1.900 2.426 5.189 0.1804 -0.1758 1.0233 52DOPE C313 6690 2.067 2.556 5.185 -0.0546 0.9827 -0.4629 52DOPE H13X 6691 2.093 2.658 5.151 -0.6442 0.6852 -1.8620 52DOPE H13Y 6692 2.097 2.546 5.292 -1.9576 -1.2620 -0.0583 52DOPE C314 6693 2.140 2.447 5.106 -0.9289 -0.2703 0.4188 52DOPE H14X 6694 2.248 2.472 5.109 -0.9261 -0.0615 -1.0677 52DOPE H14Y 6695 2.125 2.348 5.155 -0.9121 0.0306 1.0500 52DOPE C315 6696 2.091 2.440 4.962 -0.4096 0.1402 0.2190 52DOPE H15X 6697 2.098 2.539 4.912 2.0996 -0.1823 -0.1906 52DOPE H15Y 6698 1.983 2.413 4.972 -0.2529 -0.8202 -0.4796 52DOPE C316 6699 2.153 2.341 4.863 0.0640 0.2564 0.3986 52DOPE H16X 6700 2.261 2.364 4.853 0.0104 -0.0435 -1.1446 52DOPE H16Y 6701 2.088 2.352 4.773 0.0921 -0.8540 0.2271 52DOPE C317 6702 2.126 2.195 4.900 -0.0024 0.2188 0.2028 52DOPE H17X 6703 2.016 2.182 4.897 0.0356 -0.4921 1.2208 52DOPE H17Y 6704 2.165 2.185 5.003 0.3993 0.4698 0.0794 52DOPE C318 6705 2.194 2.088 4.814 -0.4451 0.0088 0.1109 52DOPE H18X 6706 2.188 2.114 4.706 0.4312 -0.0344 0.0460 52DOPE H18Y 6707 2.298 2.077 4.852 -0.2375 0.7931 -0.2014 52DOPE H18Z 6708 2.141 1.995 4.843 1.7965 -1.3525 0.0590 53DOPE N 6709 2.796 1.567 6.684 -0.5272 -0.4101 0.2319 53DOPE HN1 6710 2.848 1.586 6.597 -1.2095 -1.2099 -0.3660 53DOPE HN2 6711 2.855 1.575 6.769 -0.9181 -2.9026 0.8396 53DOPE HN3 6712 2.758 1.470 6.684 -0.0862 -0.5858 0.2924 53DOPE C12 6713 2.692 1.676 6.677 0.1367 0.2087 -0.0057 53DOPE H12A 6714 2.742 1.774 6.655 1.5083 -0.2665 0.8612 53DOPE H12B 6715 2.656 1.684 6.781 0.8739 0.3240 0.2512 53DOPE C11 6716 2.584 1.641 6.575 0.1902 -0.6354 0.2268 53DOPE H11A 6717 2.631 1.608 6.479 0.2360 -1.4442 0.5148 53DOPE H11B 6718 2.521 1.731 6.563 0.8284 0.0336 1.6904 53DOPE P 6719 2.367 1.557 6.685 -0.2718 0.0350 0.1061 53DOPE O13 6720 2.367 1.666 6.785 0.2236 -0.3428 0.5239 53DOPE O14 6721 2.328 1.424 6.735 0.3095 -0.1868 -0.0141 53DOPE O11 6722 2.283 1.600 6.556 0.4170 -0.1920 -0.4252 53DOPE O12 6723 2.511 1.527 6.622 -0.1158 -0.2849 0.6053 53DOPE C1 6724 2.215 1.502 6.477 -0.4626 0.0215 0.0556 53DOPE HA 6725 2.148 1.566 6.417 -1.7861 -0.0221 1.4300 53DOPE HB 6726 2.157 1.427 6.535 -0.3163 -2.2869 -2.6099 53DOPE C2 6727 2.313 1.425 6.388 -0.4570 0.1508 -0.0508 53DOPE HS 6728 2.386 1.362 6.443 -1.5549 -1.8137 -0.7277 53DOPE O21 6729 2.388 1.524 6.316 0.1898 -0.5321 -0.3330 53DOPE C21 6730 2.499 1.473 6.262 0.3114 -0.1200 -0.4691 53DOPE O22 6731 2.540 1.359 6.273 0.0805 -0.1801 -0.2205 53DOPE C22 6732 2.572 1.583 6.185 0.7842 0.2162 0.4438 53DOPE H2R 6733 2.586 1.669 6.254 0.7115 -0.0916 0.8462 53DOPE H2S 6734 2.528 1.620 6.091 -1.0128 1.1764 1.6054 53DOPE C3 6735 2.241 1.338 6.283 -0.2973 0.1231 -0.1388 53DOPE HX 6736 2.182 1.263 6.340 1.4358 0.8053 2.7796 53DOPE HY 6737 2.316 1.274 6.232 -0.2687 1.4994 -1.9384 53DOPE O31 6738 2.172 1.409 6.180 -0.2289 -0.2142 -0.4183 53DOPE C31 6739 2.039 1.401 6.188 -0.2177 -0.2086 -0.2360 53DOPE O32 6740 1.980 1.349 6.282 -0.1879 0.0002 -0.1012 53DOPE C32 6741 1.977 1.446 6.057 0.0800 0.5652 -0.1161 53DOPE H2X 6742 2.000 1.554 6.044 2.4263 -0.1623 -2.8710 53DOPE H2Y 6743 2.031 1.388 5.980 -0.9252 -1.1694 0.4199 53DOPE C23 6744 2.712 1.535 6.143 0.2898 0.0580 -1.0691 53DOPE H3R 6745 2.707 1.456 6.066 2.9954 0.6709 -1.9786 53DOPE H3S 6746 2.761 1.494 6.234 0.6154 1.6402 -0.5001 53DOPE C24 6747 2.799 1.654 6.101 0.1543 0.4971 -0.1338 53DOPE H4R 6748 2.794 1.732 6.180 0.5060 1.4107 -0.9898 53DOPE H4S 6749 2.768 1.708 6.009 1.6565 -1.3862 -1.8183 53DOPE C25 6750 2.946 1.616 6.084 0.1853 0.5795 -0.0536 53DOPE H5R 6751 2.978 1.574 6.181 -2.1946 -1.1976 0.0680 53DOPE H5S 6752 2.999 1.709 6.056 -0.1500 0.8582 0.2190 53DOPE C26 6753 2.973 1.518 5.969 0.3397 0.2975 0.2217 53DOPE H6R 6754 2.883 1.484 5.914 1.5605 -1.7504 -0.6125 53DOPE H6S 6755 3.008 1.425 6.019 -1.1361 -1.0751 -1.1736 53DOPE C27 6756 3.070 1.558 5.857 0.5874 0.1876 0.3966 53DOPE H7R 6757 3.164 1.606 5.892 0.5296 0.3947 0.2688 53DOPE H7S 6758 3.016 1.637 5.800 -0.5610 0.4346 1.7583 53DOPE C28 6759 3.105 1.437 5.771 -0.5687 0.3946 -0.3906 53DOPE H8R 6760 3.013 1.392 5.728 -1.0365 0.7115 0.2745 53DOPE H8S 6761 3.159 1.372 5.843 -0.1149 0.9000 -0.2657 53DOPE C29 6762 3.198 1.476 5.659 -0.1217 0.5381 0.0287 53DOPE H9R 6763 3.258 1.566 5.678 -0.5247 1.1751 -1.6209 53DOPE C210 6764 3.223 1.399 5.552 -0.0322 0.1422 0.3305 53DOPE H10R 6765 3.310 1.425 5.491 -0.5632 0.7080 -0.1935 53DOPE C211 6766 3.155 1.270 5.518 -0.6073 0.3937 0.4984 53DOPE H11R 6767 3.083 1.245 5.598 -0.7512 0.9108 0.5284 53DOPE H11S 6768 3.220 1.180 5.509 0.3561 0.8346 2.4973 53DOPE C212 6769 3.078 1.290 5.387 -0.1492 -0.0931 0.1423 53DOPE H12R 6770 3.020 1.385 5.398 -3.4127 -2.0023 0.9145 53DOPE H12S 6771 2.999 1.215 5.364 -2.0604 2.3475 -1.9356 53DOPE C213 6772 3.170 1.315 5.268 -0.2815 1.1303 0.2768 53DOPE H13R 6773 3.220 1.216 5.257 -2.8082 -0.3242 0.9518 53DOPE H13S 6774 3.238 1.402 5.280 0.2729 0.8824 -0.8687 53DOPE C214 6775 3.091 1.335 5.139 -0.0580 -0.4410 -0.1250 53DOPE H14R 6776 3.038 1.433 5.135 0.5705 -0.1310 -2.5031 53DOPE H14S 6777 3.024 1.246 5.136 1.2456 -1.5432 1.5621 53DOPE C215 6778 3.183 1.319 5.017 0.3575 0.2591 0.0952 53DOPE H15R 6779 3.245 1.228 5.022 2.5348 1.7004 0.7931 53DOPE H15S 6780 3.256 1.402 5.027 1.2978 -0.5235 -0.1787 53DOPE C216 6781 3.107 1.327 4.884 0.0505 0.0193 0.2561 53DOPE H16R 6782 3.037 1.241 4.893 0.8966 -0.8547 -1.2474 53DOPE H16S 6783 3.052 1.423 4.884 0.5762 0.3651 -1.8641 53DOPE C217 6784 3.195 1.299 4.763 0.0271 -0.4786 0.3492 53DOPE H17R 6785 3.256 1.209 4.786 -0.8170 -1.2921 -0.4962 53DOPE H17S 6786 3.258 1.388 4.741 -0.5901 0.1443 1.0825 53DOPE C218 6787 3.109 1.262 4.642 0.5142 -1.0109 0.1635 53DOPE H18R 6788 3.043 1.175 4.661 -1.7636 0.8703 1.3338 53DOPE H18S 6789 3.181 1.231 4.563 0.6261 -0.5614 0.0847 53DOPE H18T 6790 3.049 1.348 4.605 3.2378 0.4954 -1.0815 53DOPE C33 6791 1.830 1.401 6.049 0.1627 0.3417 -0.3889 53DOPE H3X 6792 1.760 1.470 6.100 0.9595 1.0189 -0.1797 53DOPE H3Y 6793 1.821 1.300 6.094 0.0418 0.5653 0.0974 53DOPE C34 6794 1.769 1.392 5.910 0.0339 0.1620 -0.3201 53DOPE H4X 6795 1.663 1.358 5.914 0.0249 -0.4628 -3.1040 53DOPE H4Y 6796 1.778 1.489 5.856 -2.7311 0.0186 -1.2214 53DOPE C35 6797 1.820 1.280 5.818 0.1777 0.1942 -0.2801 53DOPE H5X 6798 1.810 1.179 5.863 1.7914 -0.4739 -1.3450 53DOPE H5Y 6799 1.927 1.292 5.792 0.5473 -2.6804 -0.3504 53DOPE C36 6800 1.744 1.275 5.684 0.2816 0.1170 -0.3360 53DOPE H6X 6801 1.636 1.251 5.695 0.3569 -0.7980 -1.4705 53DOPE H6Y 6802 1.741 1.377 5.641 -1.1328 -0.2871 -1.2420 53DOPE C37 6803 1.801 1.177 5.582 0.0997 -0.4406 0.0909 53DOPE H7X 6804 1.905 1.211 5.564 -0.9977 3.1603 -0.1480 53DOPE H7Y 6805 1.794 1.070 5.611 2.4644 -0.6688 0.0134 53DOPE C38 6806 1.729 1.181 5.446 0.0719 -0.0310 0.1164 53DOPE H8X 6807 1.624 1.153 5.469 -0.0435 0.2058 -0.1269 53DOPE H8Y 6808 1.723 1.281 5.399 -2.4234 0.1410 0.6513 53DOPE C39 6809 1.795 1.070 5.369 -0.6947 -0.2373 -0.2528 53DOPE H9X 6810 1.810 0.978 5.428 -0.6917 -0.1099 -0.0513 53DOPE C310 6811 1.860 1.070 5.252 -0.1955 0.5052 0.0155 53DOPE H10X 6812 1.896 0.973 5.212 0.0030 0.0708 1.2057 53DOPE C311 6813 1.874 1.184 5.156 -0.3619 0.5007 -0.0139 53DOPE H11X 6814 1.981 1.179 5.129 -0.3294 3.7207 -0.9732 53DOPE H11Y 6815 1.863 1.284 5.204 0.7843 0.3305 0.6344 53DOPE C312 6816 1.782 1.170 5.034 -0.5426 -0.0339 0.1813 53DOPE H12X 6817 1.674 1.150 5.052 -1.1140 1.6205 -1.1231 53DOPE H12Y 6818 1.821 1.082 4.980 -3.0433 -2.3164 1.8217 53DOPE C313 6819 1.800 1.291 4.942 0.1555 -0.2978 -0.0385 53DOPE H13X 6820 1.902 1.320 4.909 0.3900 0.1138 0.9982 53DOPE H13Y 6821 1.776 1.378 5.008 1.0383 0.8101 -1.1396 53DOPE C314 6822 1.711 1.295 4.818 -0.1348 0.3124 0.1825 53DOPE H14X 6823 1.604 1.271 4.836 -0.3936 2.1816 1.3967 53DOPE H14Y 6824 1.717 1.398 4.778 0.6396 -0.0707 -0.7165 53DOPE C315 6825 1.756 1.199 4.707 -0.8161 0.2023 -0.0029 53DOPE H15X 6826 1.766 1.096 4.747 3.9111 1.5674 3.1597 53DOPE H15Y 6827 1.865 1.215 4.694 -0.0787 -2.3918 2.2251 53DOPE C316 6828 1.693 1.213 4.568 -0.8628 -0.8292 -0.0896 53DOPE H16X 6829 1.719 1.316 4.535 -3.5283 -0.5202 -1.4337 53DOPE H16Y 6830 1.583 1.206 4.565 -0.9785 0.8634 -0.5664 53DOPE C317 6831 1.749 1.113 4.466 0.0460 -0.4764 0.0500 53DOPE H17X 6832 1.725 1.008 4.495 -2.1451 -0.4498 -1.4252 53DOPE H17Y 6833 1.858 1.128 4.482 -0.2775 1.3410 0.8119 53DOPE C318 6834 1.698 1.129 4.323 -0.0101 -0.5476 0.0628 53DOPE H18X 6835 1.776 1.086 4.257 1.4119 -1.5736 2.2913 53DOPE H18Y 6836 1.598 1.081 4.312 1.3639 -3.4569 -0.8909 53DOPE H18Z 6837 1.690 1.239 4.311 -2.9618 -0.6717 -0.0591 54DOPE N 6838 0.289 1.325 6.678 -0.2318 -0.0461 0.5908 54DOPE HN1 6839 0.352 1.244 6.662 1.5016 1.1622 0.9154 54DOPE HN2 6840 0.362 1.383 6.725 -1.2320 0.7030 1.2684 54DOPE HN3 6841 0.220 1.299 6.751 0.8878 -0.4369 1.5423 54DOPE C12 6842 0.258 1.387 6.544 -0.1428 -0.1721 0.5116 54DOPE H12A 6843 0.183 1.329 6.488 -2.4295 0.9661 2.2100 54DOPE H12B 6844 0.354 1.392 6.488 0.6830 0.4963 1.9214 54DOPE C11 6845 0.197 1.527 6.558 -0.4411 -0.2329 -0.1515 54DOPE H11A 6846 0.093 1.503 6.589 -0.6907 -0.7683 -1.3543 54DOPE H11B 6847 0.192 1.572 6.457 -1.7341 1.2173 0.5181 54DOPE P 6848 0.201 1.750 6.671 -0.0744 -0.0571 0.0282 54DOPE O13 6849 0.271 1.817 6.783 -0.1713 -0.2633 0.2110 54DOPE O14 6850 0.055 1.730 6.688 -0.1384 0.1087 -0.3029 54DOPE O11 6851 0.238 1.818 6.530 0.1090 0.3488 0.2700 54DOPE O12 6852 0.266 1.605 6.656 -0.5582 -0.2675 -0.0419 54DOPE C1 6853 0.376 1.830 6.497 -0.0342 0.2245 -0.3857 54DOPE HA 6854 0.432 1.738 6.525 -0.1837 -0.0138 -0.8590 54DOPE HB 6855 0.418 1.916 6.553 -2.3920 0.1841 1.5988 54DOPE C2 6856 0.403 1.845 6.346 0.2473 -0.1444 -0.3731 54DOPE HS 6857 0.378 1.951 6.329 1.1078 0.0018 -0.7556 54DOPE O21 6858 0.324 1.746 6.279 -0.4893 0.1345 0.0679 54DOPE C21 6859 0.261 1.797 6.173 -0.4854 0.0375 0.0197 54DOPE O22 6860 0.272 1.914 6.143 -0.0201 0.1224 0.5067 54DOPE C22 6861 0.183 1.691 6.095 -0.1238 -0.3914 0.2343 54DOPE H2R 6862 0.096 1.670 6.160 0.8293 -0.4570 1.5226 54DOPE H2S 6863 0.257 1.609 6.085 -0.0925 -0.1284 -2.5635 54DOPE C3 6864 0.551 1.829 6.307 0.2843 0.0223 -0.2989 54DOPE HX 6865 0.580 1.723 6.319 0.4427 0.1086 0.0857 54DOPE HY 6866 0.621 1.888 6.370 -0.7678 -1.1042 2.0456 54DOPE O31 6867 0.561 1.853 6.166 -0.4378 0.0254 -0.3532 54DOPE C31 6868 0.583 1.980 6.132 0.0597 0.0870 0.1923 54DOPE O32 6869 0.594 2.075 6.209 0.2642 0.4768 -0.3102 54DOPE C32 6870 0.576 1.989 5.981 0.2308 0.1827 0.1895 54DOPE H2X 6871 0.600 1.891 5.934 1.2810 0.5946 -0.1706 54DOPE H2Y 6872 0.476 2.024 5.948 -0.6063 -1.6321 0.6677 54DOPE C23 6873 0.150 1.743 5.955 -0.3860 0.1090 0.4792 54DOPE H3R 6874 0.245 1.784 5.915 -0.3253 -1.0814 -0.6614 54DOPE H3S 6875 0.066 1.814 5.971 -0.8875 -0.8769 2.6226 54DOPE C24 6876 0.113 1.635 5.853 0.4704 -0.0201 0.2984 54DOPE H4R 6877 0.033 1.669 5.783 1.4249 1.4383 -0.1393 54DOPE H4S 6878 0.065 1.550 5.906 0.2190 0.1209 0.3003 54DOPE C25 6879 0.233 1.574 5.780 0.1095 0.3124 -0.5885 54DOPE H5R 6880 0.300 1.527 5.855 1.0378 0.1762 -1.4811 54DOPE H5S 6881 0.298 1.654 5.738 1.5945 -0.3308 0.3845 54DOPE C26 6882 0.195 1.490 5.658 -0.3488 -0.2593 -0.0566 54DOPE H6R 6883 0.293 1.469 5.609 0.0162 -0.4167 0.7150 54DOPE H6S 6884 0.142 1.546 5.579 0.8257 -0.5030 -1.0472 54DOPE C27 6885 0.125 1.358 5.690 -0.6163 -0.1404 -0.1554 54DOPE H7R 6886 0.028 1.382 5.738 -1.1950 -0.2069 -1.2507 54DOPE H7S 6887 0.190 1.302 5.760 1.0912 1.4700 -0.3799 54DOPE C28 6888 0.088 1.267 5.572 0.0708 -0.7322 0.0746 54DOPE H8R 6889 0.042 1.176 5.616 0.9698 -1.2348 -0.0070 54DOPE H8S 6890 0.177 1.225 5.521 -0.4561 -0.0737 -1.4473 54DOPE C29 6891 -0.001 1.327 5.466 0.5129 -0.0259 0.0950 54DOPE H9R 6892 -0.095 1.358 5.514 1.4320 1.1793 1.1977 54DOPE C210 6893 0.010 1.345 5.334 0.0375 -0.0639 0.0477 54DOPE H10R 6894 -0.073 1.389 5.277 -0.4350 -0.5780 0.3194 54DOPE C211 6895 0.118 1.310 5.235 -0.1556 0.2165 -0.2638 54DOPE H11R 6896 0.212 1.281 5.287 -1.1849 -2.1026 0.4039 54DOPE H11S 6897 0.144 1.404 5.183 -0.2739 1.2742 1.4923 54DOPE C212 6898 0.071 1.215 5.126 -0.1186 -0.1114 0.0033 54DOPE H12R 6899 -0.012 1.260 5.067 0.0375 0.2070 0.0232 54DOPE H12S 6900 0.027 1.124 5.173 0.3949 -1.0746 -1.2995 54DOPE C213 6901 0.177 1.180 5.021 -0.7240 0.0091 -0.6599 54DOPE H13R 6902 0.255 1.135 5.085 0.1079 2.0169 -0.1965 54DOPE H13S 6903 0.210 1.264 4.956 -0.5274 -2.3536 -3.8675 54DOPE C214 6904 0.121 1.069 4.932 -0.2258 -0.6394 -0.1746 54DOPE H14R 6905 0.053 1.117 4.858 -0.1770 -0.1955 0.0622 54DOPE H14S 6906 0.062 0.993 4.988 0.8841 -1.6635 -0.3564 54DOPE C215 6907 0.233 1.000 4.855 0.2115 -0.1944 0.0562 54DOPE H15R 6908 0.318 0.955 4.912 1.5394 2.7893 0.5989 54DOPE H15S 6909 0.282 1.078 4.793 0.1154 0.7167 1.0972 54DOPE C216 6910 0.180 0.906 4.746 0.0674 -0.2320 0.1593 54DOPE H16R 6911 0.070 0.918 4.740 0.0390 -1.1949 -1.6559 54DOPE H16S 6912 0.205 0.805 4.785 2.2856 0.8767 1.8333 54DOPE C217 6913 0.228 0.928 4.603 0.2074 -0.1391 0.2197 54DOPE H17R 6914 0.336 0.904 4.591 0.2941 0.2079 0.3057 54DOPE H17S 6915 0.225 1.037 4.582 0.4927 -0.1995 -0.1465 54DOPE C218 6916 0.139 0.851 4.506 -0.4560 0.7784 0.0872 54DOPE H18R 6917 0.144 0.881 4.399 -1.7582 -0.4784 -0.3687 54DOPE H18S 6918 0.033 0.855 4.540 -0.8823 -0.9848 -0.8933 54DOPE H18T 6919 0.169 0.744 4.507 -0.9034 0.6474 1.1267 54DOPE C33 6920 0.674 2.089 5.919 -0.0322 0.1377 -0.3077 54DOPE H3X 6921 0.772 2.062 5.962 -0.3452 -1.4304 -0.5136 54DOPE H3Y 6922 0.641 2.193 5.941 -0.7199 -0.5140 2.0733 54DOPE C34 6923 0.670 2.070 5.768 0.1795 -0.3830 -0.2474 54DOPE H4X 6924 0.572 2.050 5.720 1.2819 -2.5114 -1.8083 54DOPE H4Y 6925 0.721 1.975 5.740 -1.6312 -1.7407 0.8725 54DOPE C35 6926 0.738 2.190 5.701 0.6062 -0.3593 0.2275 54DOPE H5X 6927 0.832 2.213 5.756 -1.5013 3.4474 2.7616 54DOPE H5Y 6928 0.671 2.279 5.706 1.1980 0.4045 -3.2192 54DOPE C36 6929 0.760 2.171 5.551 -0.1632 -0.4771 0.1269 54DOPE H6X 6930 0.801 2.267 5.514 -0.4397 -0.5013 -0.2471 54DOPE H6Y 6931 0.845 2.105 5.525 0.9052 1.3065 -1.0839 54DOPE C37 6932 0.636 2.133 5.470 -0.3248 -0.1783 0.2359 54DOPE H7X 6933 0.589 2.039 5.506 -0.6053 -0.6178 -1.2313 54DOPE H7Y 6934 0.563 2.217 5.482 -1.9784 -1.2806 -1.4711 54DOPE C38 6935 0.653 2.125 5.319 -0.0740 0.1119 0.2469 54DOPE H8X 6936 0.743 2.066 5.290 1.3470 1.8074 1.0980 54DOPE H8Y 6937 0.682 2.225 5.282 -0.3801 -0.5182 -1.8557 54DOPE C39 6938 0.533 2.082 5.239 0.2775 -0.1290 -0.1556 54DOPE H9X 6939 0.464 2.015 5.292 0.0128 0.3044 0.0539 54DOPE C310 6940 0.502 2.122 5.115 -0.2835 0.3395 0.1314 54DOPE H10X 6941 0.405 2.086 5.078 -0.5195 -2.4922 3.1340 54DOPE C311 6942 0.583 2.214 5.027 -0.7341 0.5219 -0.0938 54DOPE H11X 6943 0.634 2.148 4.954 1.1663 0.5799 1.1148 54DOPE H11Y 6944 0.668 2.262 5.080 -0.7256 -1.6191 2.0030 54DOPE C312 6945 0.486 2.309 4.956 -0.9358 0.4983 0.1475 54DOPE H12X 6946 0.428 2.365 5.033 0.3417 0.1468 1.3977 54DOPE H12Y 6947 0.408 2.249 4.904 0.9383 0.3735 -2.7518 54DOPE C313 6948 0.550 2.395 4.846 -0.5689 -0.0667 -0.0829 54DOPE H13X 6949 0.502 2.381 4.747 -1.2156 1.3842 0.0004 54DOPE H13Y 6950 0.657 2.370 4.829 -0.7903 -0.2794 -1.2130 54DOPE C314 6951 0.528 2.541 4.886 -0.7874 0.0807 -0.7337 54DOPE H14X 6952 0.423 2.553 4.921 0.5168 1.8005 3.0868 54DOPE H14Y 6953 0.585 2.560 4.979 -2.8146 -0.2397 0.6404 54DOPE C315 6954 0.580 2.633 4.776 -0.2807 -0.0311 -0.5905 54DOPE H15X 6955 0.683 2.597 4.757 0.6467 1.7034 0.8542 54DOPE H15Y 6956 0.509 2.621 4.691 -1.3701 -0.1014 0.3196 54DOPE C316 6957 0.593 2.781 4.811 0.0330 -0.2201 0.0993 54DOPE H16X 6958 0.677 2.798 4.882 1.0089 -1.3371 -0.7490 54DOPE H16Y 6959 0.495 2.808 4.858 -0.4913 2.4947 -2.2281 54DOPE C317 6960 0.610 2.876 4.692 0.0103 0.5146 0.6698 54DOPE H17X 6961 0.513 2.901 4.643 -0.4749 1.3944 2.0260 54DOPE H17Y 6962 0.674 2.826 4.616 0.9726 2.7731 -0.0595 54DOPE C318 6963 0.678 3.008 4.726 -0.3535 0.7909 0.3339 54DOPE H18X 6964 0.698 3.066 4.633 -0.2916 0.1253 -0.0723 54DOPE H18Y 6965 0.606 3.053 4.798 -0.8587 -1.3213 1.2093 54DOPE H18Z 6966 0.766 2.987 4.790 -2.3788 1.0793 3.4321 55DOPE N 6967 4.861 4.419 6.233 0.6813 0.1647 -0.0446 55DOPE HN1 6968 4.835 4.321 6.210 -0.4951 0.6150 -0.6903 55DOPE HN2 6969 4.785 4.485 6.210 -0.7479 -1.4864 -0.2605 55DOPE HN3 6970 4.948 4.451 6.185 -0.0570 -0.4129 -1.8576 55DOPE C12 6971 4.865 4.430 6.384 0.0748 -0.9702 0.0622 55DOPE H12A 6972 4.944 4.361 6.420 0.6173 -1.4972 -1.9974 55DOPE H12B 6973 4.763 4.407 6.421 -0.7635 2.4939 0.2069 55DOPE C11 6974 4.906 4.569 6.433 -0.1092 -0.5707 -0.8960 55DOPE H11A 6975 5.013 4.572 6.405 0.0265 -0.8823 -0.4088 55DOPE H11B 6976 4.888 4.573 6.542 1.3300 -1.9083 -0.5788 55DOPE P 6977 4.850 4.817 6.409 0.3292 -0.2836 0.2106 55DOPE O13 6978 4.994 4.846 6.421 0.3233 -0.2955 0.3172 55DOPE O14 6979 4.766 4.825 6.532 -0.0254 0.0549 -0.0516 55DOPE O11 6980 4.788 4.909 6.294 0.2221 -0.1369 0.3857 55DOPE O12 6981 4.830 4.666 6.360 -0.2451 -0.0989 -0.1335 55DOPE C1 6982 4.651 4.898 6.256 0.3494 -0.1379 -0.0752 55DOPE HA 6983 4.627 4.990 6.198 1.7966 0.8590 0.8413 55DOPE HB 6984 4.587 4.898 6.347 0.4940 -0.4077 0.0269 55DOPE C2 6985 4.610 4.776 6.172 0.0381 -0.1887 0.1482 55DOPE HS 6986 4.631 4.687 6.236 0.7486 0.1389 0.3830 55DOPE O21 6987 4.679 4.775 6.047 0.2500 0.2659 0.2620 55DOPE C21 6988 4.711 4.651 6.012 -0.4926 0.1534 -0.0241 55DOPE O22 6989 4.671 4.548 6.064 -0.0302 0.2135 0.4553 55DOPE C22 6990 4.805 4.658 5.892 -0.0401 0.4143 0.3452 55DOPE H2R 6991 4.907 4.684 5.927 0.3484 1.7576 -1.6161 55DOPE H2S 6992 4.778 4.735 5.816 -1.9635 0.4889 1.0317 55DOPE C3 6993 4.459 4.778 6.145 0.0670 0.0894 -0.0005 55DOPE HX 6994 4.401 4.800 6.237 -0.9203 -0.0606 -0.5702 55DOPE HY 6995 4.429 4.678 6.107 1.2567 0.1606 -1.1706 55DOPE O31 6996 4.425 4.879 6.050 -0.2827 -0.0607 -0.0362 55DOPE C31 6997 4.313 4.852 5.982 -0.3088 0.1445 -0.0770 55DOPE O32 6998 4.236 4.761 6.010 0.1101 -0.1941 -0.0125 55DOPE C32 6999 4.297 4.959 5.875 0.7647 0.4037 0.0052 55DOPE H2X 7000 4.240 5.043 5.920 -0.1736 1.0070 -2.1632 55DOPE H2Y 7001 4.398 4.992 5.843 0.5868 0.3264 -0.6451 55DOPE C23 7002 4.809 4.518 5.830 -0.2373 0.5302 0.0669 55DOPE H3R 7003 4.709 4.489 5.792 -0.4604 0.1578 0.9000 55DOPE H3S 7004 4.842 4.441 5.903 -1.3095 -0.6176 -0.6239 55DOPE C24 7005 4.897 4.505 5.706 -0.3410 0.5010 -0.0033 55DOPE H4R 7006 5.003 4.532 5.725 -0.2520 1.3286 -1.5545 55DOPE H4S 7007 4.869 4.588 5.637 -2.0692 0.9737 1.1841 55DOPE C25 7008 4.883 4.374 5.629 -0.0051 0.3093 0.2609 55DOPE H5R 7009 4.948 4.392 5.541 0.4822 -1.1432 0.2929 55DOPE H5S 7010 4.781 4.365 5.586 1.3505 0.3575 -3.3111 55DOPE C26 7011 4.915 4.247 5.709 0.3139 0.0134 -0.3346 55DOPE H6R 7012 4.895 4.157 5.647 -1.5806 0.0325 0.1775 55DOPE H6S 7013 4.830 4.248 5.780 -0.8425 0.1352 -1.6685 55DOPE C27 7014 5.046 4.238 5.788 0.0365 0.1418 0.1402 55DOPE H7R 7015 5.063 4.335 5.840 -2.6855 1.2064 -0.7841 55DOPE H7S 7016 5.126 4.225 5.712 -0.8244 0.2295 -0.8069 55DOPE C28 7017 5.043 4.126 5.892 -0.2843 0.2483 0.2459 55DOPE H8R 7018 4.993 4.039 5.844 -1.2135 2.7089 -3.7360 55DOPE H8S 7019 4.987 4.165 5.980 -0.5507 0.8426 -0.1714 55DOPE C29 7020 5.187 4.099 5.923 -0.2250 0.1825 -0.0877 55DOPE H9R 7021 5.256 4.183 5.942 1.3506 -1.2791 0.9557 55DOPE C210 7022 5.247 3.980 5.933 -0.4966 0.1098 0.7128 55DOPE H10R 7023 5.348 3.972 5.975 -0.8922 1.0221 1.8845 55DOPE C211 7024 5.165 3.856 5.912 0.2801 -0.2834 -0.0292 55DOPE H11R 7025 5.057 3.867 5.933 0.4376 -0.0049 0.6541 55DOPE H11S 7026 5.214 3.788 5.985 3.1138 -0.1234 -1.5929 55DOPE C212 7027 5.195 3.784 5.780 -0.3333 -0.5194 -0.0405 55DOPE H12R 7028 5.133 3.691 5.778 0.2958 -0.9487 -0.0568 55DOPE H12S 7029 5.302 3.759 5.764 -0.2234 0.5965 -1.1858 55DOPE C213 7030 5.157 3.868 5.658 0.5443 -0.1073 -0.0305 55DOPE H13R 7031 5.218 3.959 5.636 1.0741 -0.7912 -1.5291 55DOPE H13S 7032 5.056 3.911 5.675 0.0861 -0.9983 -0.4614 55DOPE C214 7033 5.147 3.782 5.532 -0.9032 0.0639 -0.0444 55DOPE H14R 7034 5.076 3.699 5.554 -2.0197 1.5226 2.2463 55DOPE H14S 7035 5.245 3.736 5.508 -0.4361 1.6297 -1.2683 55DOPE C215 7036 5.095 3.849 5.405 -0.1818 -0.2399 -0.5047 55DOPE H15R 7037 5.113 3.778 5.321 -1.3381 0.2185 -1.1638 55DOPE H15S 7038 5.167 3.927 5.374 -0.0106 -0.6609 -1.2067 55DOPE C216 7039 4.957 3.914 5.405 0.2250 0.6341 -0.0157 55DOPE H16R 7040 4.947 4.000 5.476 1.3999 0.6829 0.1041 55DOPE H16S 7041 4.882 3.836 5.431 -3.2110 3.1639 -1.4741 55DOPE C217 7042 4.910 3.962 5.267 0.5470 -0.0697 -0.3707 55DOPE H17R 7043 4.800 3.952 5.266 0.6225 -1.0172 -0.6131 55DOPE H17S 7044 4.946 3.887 5.193 1.7287 1.7208 -1.6982 55DOPE C218 7045 4.936 4.110 5.240 0.5134 -0.0567 -0.3301 55DOPE H18R 7046 4.876 4.169 5.313 0.2976 -1.4538 0.6714 55DOPE H18S 7047 4.895 4.136 5.140 -1.7624 0.2680 0.6182 55DOPE H18T 7048 5.044 4.133 5.252 0.3096 0.6620 0.1649 55DOPE C33 7049 4.217 4.900 5.758 0.3865 0.4175 0.2547 55DOPE H3X 7050 4.261 4.803 5.726 -0.0608 1.1099 -2.7346 55DOPE H3Y 7051 4.109 4.875 5.772 -0.0298 0.1508 -2.8698 55DOPE C34 7052 4.221 5.001 5.643 0.6235 -0.0219 -0.1218 55DOPE H4X 7053 4.189 5.095 5.693 1.0966 1.0109 -1.7031 55DOPE H4Y 7054 4.325 5.021 5.608 0.3299 -1.7279 -2.2001 55DOPE C35 7055 4.131 4.955 5.528 0.1376 0.3423 0.1070 55DOPE H5X 7056 4.023 4.959 5.551 0.0765 -0.8841 0.0865 55DOPE H5Y 7057 4.164 4.851 5.508 -1.2573 -0.2890 0.9440 55DOPE C36 7058 4.167 5.032 5.400 0.1286 0.2088 0.0232 55DOPE H6X 7059 4.151 5.140 5.423 2.1351 0.1357 2.1750 55DOPE H6Y 7060 4.275 5.024 5.378 -0.0350 0.2920 -0.8425 55DOPE C37 7061 4.088 4.973 5.283 -0.4575 -0.1233 0.5785 55DOPE H7X 7062 4.149 5.000 5.194 -0.7159 0.8381 0.6799 55DOPE H7Y 7063 4.090 4.862 5.288 1.8161 -0.2676 -1.6718 55DOPE C38 7064 3.942 5.018 5.269 -0.4182 -0.0634 0.3626 55DOPE H8X 7065 3.876 4.984 5.351 -1.1413 1.1578 0.3126 55DOPE H8Y 7066 3.942 5.128 5.286 0.4345 -0.1181 0.7514 55DOPE C39 7067 3.874 4.977 5.141 0.3295 -0.0521 -0.0435 55DOPE H9X 7068 3.884 4.868 5.126 0.7060 -0.2273 1.3031 55DOPE C310 7069 3.820 5.050 5.043 0.3819 0.0396 -0.0049 55DOPE H10X 7070 3.770 5.008 4.955 -4.5906 -0.9795 2.9337 55DOPE C311 7071 3.806 5.200 5.048 -0.1285 -0.0068 0.0293 55DOPE H11X 7072 3.756 5.224 5.143 -1.6526 0.3951 -0.8400 55DOPE H11Y 7073 3.733 5.223 4.967 -0.0140 -0.8339 -0.3301 55DOPE C312 7074 3.943 5.265 5.030 0.0909 -0.4711 0.0079 55DOPE H12X 7075 3.999 5.226 4.941 2.3662 2.4244 0.0057 55DOPE H12Y 7076 4.009 5.242 5.116 1.2666 1.9718 -0.1415 55DOPE C313 7077 3.939 5.417 5.022 0.5999 -0.4560 -0.0521 55DOPE H13X 7078 4.046 5.444 5.024 0.7463 -1.0420 1.0828 55DOPE H13Y 7079 3.905 5.458 5.120 -1.2992 -0.1769 -0.7857 55DOPE C314 7080 3.845 5.471 4.913 0.4572 0.1697 0.3749 55DOPE H14X 7081 3.837 5.581 4.929 1.4657 0.3028 0.0233 55DOPE H14Y 7082 3.749 5.422 4.940 -0.2930 2.1699 1.5674 55DOPE C315 7083 3.880 5.451 4.766 -0.1028 -0.2163 0.2913 55DOPE H15X 7084 3.980 5.498 4.748 0.7938 -1.7299 1.1257 55DOPE H15Y 7085 3.895 5.342 4.751 -0.1533 -0.6305 2.7982 55DOPE C316 7086 3.795 5.537 4.673 0.0692 -0.3698 -0.0112 55DOPE H16X 7087 3.791 5.637 4.722 1.1697 0.1443 -0.9190 55DOPE H16Y 7088 3.694 5.491 4.660 0.4991 -1.3132 -0.0488 55DOPE C317 7089 3.866 5.537 4.538 -0.5764 -0.0171 -0.3587 55DOPE H17X 7090 3.970 5.573 4.553 -0.3768 -0.7206 -0.0286 55DOPE H17Y 7091 3.875 5.433 4.499 2.5595 0.1244 -0.2872 55DOPE C318 7092 3.802 5.614 4.422 -0.5279 0.9920 0.2678 55DOPE H18X 7093 3.784 5.721 4.443 -1.7269 0.6588 1.0798 55DOPE H18Y 7094 3.871 5.610 4.335 -0.1466 -2.0329 0.5779 55DOPE H18Z 7095 3.708 5.572 4.380 0.4357 -0.2901 -0.7030 56DOPE N 7096 2.149 1.724 6.922 -0.0978 0.1604 0.0914 56DOPE HN1 7097 2.083 1.746 6.844 0.4955 0.6970 -0.2721 56DOPE HN2 7098 2.169 1.804 6.985 2.2264 1.1992 -1.7956 56DOPE HN3 7099 2.242 1.699 6.882 0.4727 0.4271 1.2182 56DOPE C12 7100 2.078 1.612 6.994 0.4787 0.1494 0.6535 56DOPE H12A 7101 2.110 1.611 7.100 -0.1500 -2.0345 0.8811 56DOPE H12B 7102 2.109 1.520 6.940 0.3697 1.3702 -1.6248 56DOPE C11 7103 1.927 1.633 6.980 0.5858 0.0845 -0.7425 56DOPE H11A 7104 1.904 1.730 7.029 -1.1420 -1.1337 1.0327 56DOPE H11B 7105 1.872 1.551 7.031 1.4161 -0.9382 -1.4541 56DOPE P 7106 1.743 1.654 6.816 -0.0731 0.1122 -0.0512 56DOPE O13 7107 1.684 1.763 6.897 -0.1781 -0.1474 0.2262 56DOPE O14 7108 1.682 1.519 6.830 0.7643 -0.2722 -0.0577 56DOPE O11 7109 1.736 1.697 6.663 -0.2825 -0.7817 -0.3019 56DOPE O12 7110 1.900 1.642 6.840 0.0124 0.0699 -0.6377 56DOPE C1 7111 1.820 1.620 6.577 0.6809 0.0534 -0.1345 56DOPE HA 7112 1.850 1.528 6.632 -1.2542 -0.8591 -0.4943 56DOPE HB 7113 1.909 1.680 6.549 -0.7670 1.9304 -0.9307 56DOPE C2 7114 1.748 1.574 6.449 -0.0506 0.6282 0.0643 56DOPE HS 7115 1.808 1.505 6.386 -2.1545 -0.6208 -0.6964 56DOPE O21 7116 1.703 1.688 6.376 0.0138 0.4878 -0.1938 56DOPE C21 7117 1.794 1.726 6.286 0.3828 -0.2036 -0.1219 56DOPE O22 7118 1.894 1.662 6.260 0.4395 -0.2039 0.0923 56DOPE C22 7119 1.760 1.864 6.232 -0.1832 -0.0110 0.7074 56DOPE H2R 7120 1.850 1.929 6.234 -0.5193 0.5489 -0.8570 56DOPE H2S 7121 1.690 1.926 6.292 -1.1791 1.8058 -2.0934 56DOPE C3 7122 1.625 1.493 6.495 -0.0746 0.3840 -0.4187 56DOPE HX 7123 1.552 1.566 6.536 0.3419 -0.5002 2.0863 56DOPE HY 7124 1.652 1.421 6.576 -1.2727 0.0991 -0.2583 56DOPE O31 7125 1.573 1.417 6.386 -0.3629 -0.3294 0.2066 56DOPE C31 7126 1.476 1.475 6.315 0.0212 0.2293 0.1387 56DOPE O32 7127 1.417 1.579 6.337 -0.4141 0.0794 -0.3055 56DOPE C32 7128 1.460 1.398 6.184 -0.2122 0.1293 0.2273 56DOPE H2X 7129 1.546 1.395 6.115 -0.2846 -0.7921 0.1731 56DOPE H2Y 7130 1.426 1.297 6.214 -0.4244 0.5983 1.6812 56DOPE C23 7131 1.693 1.853 6.094 -0.2539 0.0876 0.7334 56DOPE H3R 7132 1.748 1.779 6.032 -0.3182 0.3442 0.3747 56DOPE H3S 7133 1.705 1.952 6.045 -2.3671 1.2979 2.4624 56DOPE C24 7134 1.545 1.814 6.097 -0.2677 0.0801 0.0496 56DOPE H4R 7135 1.483 1.883 6.158 -2.9120 -2.1786 0.1003 56DOPE H4S 7136 1.548 1.711 6.138 2.2308 0.0065 -0.1734 56DOPE C25 7137 1.484 1.824 5.957 -0.8125 0.4257 0.3106 56DOPE H5R 7138 1.510 1.918 5.903 -0.5228 0.1860 0.0329 56DOPE H5S 7139 1.374 1.810 5.968 -1.0521 1.1596 -0.9781 56DOPE C26 7140 1.537 1.715 5.864 -0.4651 0.8774 -0.0292 56DOPE H6R 7141 1.518 1.615 5.910 0.0463 1.5245 1.6705 56DOPE H6S 7142 1.646 1.730 5.851 -0.4732 1.3700 0.4491 56DOPE C27 7143 1.470 1.726 5.727 -0.8189 -0.3836 0.0312 56DOPE H7R 7144 1.469 1.830 5.689 -0.8684 -0.7710 -1.0525 56DOPE H7S 7145 1.364 1.699 5.748 -1.1838 -0.1940 -1.4576 56DOPE C28 7146 1.526 1.626 5.625 -0.1984 0.2393 -0.2464 56DOPE H8R 7147 1.438 1.597 5.563 -1.1455 -0.0634 1.1807 56DOPE H8S 7148 1.573 1.536 5.668 1.8100 0.7921 -1.1458 56DOPE C29 7149 1.630 1.690 5.538 0.1838 0.0835 0.0979 56DOPE H9R 7150 1.708 1.745 5.594 -0.8546 0.4917 1.1863 56DOPE C210 7151 1.629 1.706 5.405 0.3765 -0.8167 -0.0127 56DOPE H10R 7152 1.705 1.765 5.353 -0.6050 0.4205 -0.0889 56DOPE C211 7153 1.525 1.646 5.315 0.1304 0.0123 -0.2884 56DOPE H11R 7154 1.511 1.713 5.227 -0.4343 0.2090 -0.0500 56DOPE H11S 7155 1.422 1.640 5.356 -0.2056 -0.1018 -1.1273 56DOPE C212 7156 1.586 1.511 5.276 0.2316 0.1162 -0.4929 56DOPE H12R 7157 1.618 1.461 5.370 -0.6085 2.1017 0.9244 56DOPE H12S 7158 1.673 1.524 5.208 -1.0124 0.3639 -2.0783 56DOPE C213 7159 1.499 1.404 5.209 0.9870 -0.4454 -0.5927 56DOPE H13R 7160 1.429 1.373 5.289 -0.3374 0.8639 -1.1932 56DOPE H13S 7161 1.563 1.319 5.177 1.2216 -0.6218 0.3341 56DOPE C214 7162 1.424 1.454 5.085 0.5268 -0.3776 -0.2860 56DOPE H14R 7163 1.496 1.512 5.024 -0.1352 2.8214 1.7627 56DOPE H14S 7164 1.342 1.523 5.113 0.3277 -1.2394 1.4111 56DOPE C215 7165 1.361 1.338 5.008 0.3199 -0.3717 -0.1266 56DOPE H15R 7166 1.301 1.276 5.079 0.6610 -0.5033 0.0475 56DOPE H15S 7167 1.440 1.272 4.966 0.9764 -1.7440 2.9475 56DOPE C216 7168 1.277 1.388 4.891 0.5176 0.1906 -0.0291 56DOPE H16R 7169 1.326 1.468 4.832 -1.1178 0.7156 -0.7406 56DOPE H16S 7170 1.184 1.428 4.938 0.7502 1.0063 -0.2391 56DOPE C217 7171 1.241 1.280 4.788 0.2315 0.4969 -0.2556 56DOPE H17R 7172 1.197 1.195 4.844 3.2004 0.4419 2.3383 56DOPE H17S 7173 1.334 1.248 4.736 0.0039 0.8402 -0.8864 56DOPE C218 7174 1.140 1.329 4.685 0.2038 -0.2066 -0.5663 56DOPE H18R 7175 1.046 1.361 4.734 0.3091 0.7760 -0.9807 56DOPE H18S 7176 1.125 1.260 4.599 -0.6673 0.3453 -0.8630 56DOPE H18T 7177 1.188 1.409 4.623 1.2291 -0.9254 -0.7413 56DOPE C33 7178 1.343 1.458 6.106 -0.0328 0.1672 -0.0138 56DOPE H3X 7179 1.257 1.456 6.177 -0.4097 -0.2247 -0.4773 56DOPE H3Y 7180 1.359 1.562 6.071 0.6916 -0.1101 -0.5341 56DOPE C34 7181 1.320 1.383 5.975 -0.6327 -0.3244 0.3658 56DOPE H4X 7182 1.402 1.371 5.902 -0.6229 0.4384 0.2494 56DOPE H4Y 7183 1.292 1.277 5.996 -2.5662 -0.0217 -0.4491 56DOPE C35 7184 1.210 1.442 5.886 -0.5136 -0.1401 0.3421 56DOPE H5X 7185 1.250 1.540 5.850 0.0330 -0.7276 -0.6813 56DOPE H5Y 7186 1.126 1.466 5.955 0.9258 -0.3734 2.2597 56DOPE C36 7187 1.169 1.360 5.764 -0.1058 -0.0018 0.1073 56DOPE H6X 7188 1.251 1.342 5.692 -0.9703 -1.7908 -0.4786 56DOPE H6Y 7189 1.155 1.253 5.792 0.7063 -0.2149 -0.2819 56DOPE C37 7190 1.038 1.405 5.698 -0.1752 -0.4256 -0.0467 56DOPE H7X 7191 1.046 1.516 5.698 0.0367 -0.4407 -0.1612 56DOPE H7Y 7192 0.956 1.377 5.767 -0.1084 4.7177 2.5924 56DOPE C38 7193 1.004 1.348 5.560 0.0047 -0.2099 -0.1816 56DOPE H8X 7194 1.017 1.238 5.573 1.7696 0.2445 3.2314 56DOPE H8Y 7195 0.901 1.380 5.534 -0.0045 1.4197 1.6294 56DOPE C39 7196 1.099 1.402 5.457 0.2459 -0.4533 -0.0880 56DOPE H9X 7197 1.155 1.492 5.486 -0.8139 0.6944 -1.4705 56DOPE C310 7198 1.113 1.343 5.338 -0.0566 -0.5791 -0.0624 56DOPE H10X 7199 1.182 1.384 5.262 0.1215 0.6524 0.7340 56DOPE C311 7200 1.059 1.209 5.296 0.1420 -0.6296 -0.1603 56DOPE H11X 7201 0.977 1.183 5.366 0.2115 0.6498 0.4320 56DOPE H11Y 7202 1.136 1.129 5.307 -0.2194 -0.8825 0.6628 56DOPE C312 7203 1.000 1.211 5.155 0.1896 0.2963 -0.1747 56DOPE H12X 7204 0.922 1.289 5.150 -1.5652 -1.3902 -0.0823 56DOPE H12Y 7205 1.076 1.251 5.084 -0.9115 1.5681 -0.6797 56DOPE C313 7206 0.964 1.074 5.097 0.0588 0.1703 0.2014 56DOPE H13X 7207 0.910 1.019 5.178 1.4713 -3.7104 -1.2866 56DOPE H13Y 7208 1.040 1.006 5.054 -0.2273 1.0033 -1.6953 56DOPE C314 7209 0.855 1.092 4.990 0.1982 -0.1753 -0.0005 56DOPE H14X 7210 0.796 0.999 4.982 -0.3066 0.0805 0.6900 56DOPE H14Y 7211 0.777 1.166 5.020 0.0606 -0.5784 0.6643 56DOPE C315 7212 0.910 1.108 4.848 0.3652 -0.1150 0.0700 56DOPE H15X 7213 0.949 1.212 4.850 -1.3295 0.5555 -0.4419 56DOPE H15Y 7214 0.988 1.034 4.823 0.5108 0.4662 -1.2970 56DOPE C316 7215 0.813 1.091 4.731 0.7876 -0.2448 -0.2610 56DOPE H16X 7216 0.717 1.140 4.756 0.0974 -0.7120 -1.8361 56DOPE H16Y 7217 0.780 0.986 4.723 -1.7819 0.5074 -0.2304 56DOPE C317 7218 0.859 1.157 4.600 0.1591 0.1918 -0.2636 56DOPE H17X 7219 0.949 1.108 4.558 -0.9734 0.9043 -3.8087 56DOPE H17Y 7220 0.872 1.266 4.618 -1.3763 -0.0202 2.8842 56DOPE C318 7221 0.749 1.148 4.495 0.3612 -0.5400 -0.4175 56DOPE H18X 7222 0.750 1.050 4.443 -1.2401 -0.7987 -0.0126 56DOPE H18Y 7223 0.653 1.171 4.546 0.4589 1.6920 -1.1026 56DOPE H18Z 7224 0.772 1.229 4.422 -1.1929 0.6159 0.3097 57DOPE N 7225 5.958 2.300 6.477 0.0051 0.1856 0.5050 57DOPE HN1 7226 5.886 2.248 6.422 1.1970 -0.7211 -0.2306 57DOPE HN2 7227 5.991 2.387 6.432 3.5006 -0.9121 0.6662 57DOPE HN3 7228 6.039 2.236 6.478 -0.1176 0.0249 1.0432 57DOPE C12 7229 5.912 2.328 6.619 -0.8077 -0.0437 0.2950 57DOPE H12A 7230 6.001 2.380 6.660 -1.6429 1.4867 0.2382 57DOPE H12B 7231 5.910 2.234 6.679 0.7389 -0.7346 -0.6507 57DOPE C11 7232 5.781 2.406 6.629 -0.3666 0.6455 0.8179 57DOPE H11A 7233 5.775 2.440 6.734 -0.0171 0.1555 1.0023 57DOPE H11B 7234 5.702 2.331 6.606 -0.6486 1.8216 -2.7064 57DOPE P 7235 5.664 2.616 6.574 0.2773 0.1619 -0.4374 57DOPE O13 7236 5.724 2.737 6.635 -0.3022 0.1009 0.2764 57DOPE O14 7237 5.559 2.552 6.658 0.6532 -0.3707 -0.3677 57DOPE O11 7238 5.598 2.657 6.434 -0.0198 0.0010 -0.3453 57DOPE O12 7239 5.777 2.511 6.532 0.1935 -0.0956 -0.0291 57DOPE C1 7240 5.552 2.560 6.339 -0.4398 -0.3771 0.2379 57DOPE HA 7241 5.470 2.609 6.282 -1.1253 0.4842 1.8856 57DOPE HB 7242 5.512 2.472 6.395 1.9690 -0.6836 1.6155 57DOPE C2 7243 5.657 2.500 6.245 -0.3569 0.2112 -0.0494 57DOPE HS 7244 5.719 2.428 6.304 -2.0809 -1.4458 -0.1656 57DOPE O21 7245 5.736 2.606 6.190 -0.3147 0.3918 0.3538 57DOPE C21 7246 5.849 2.560 6.135 -0.5051 -0.0514 0.3224 57DOPE O22 7247 5.888 2.445 6.134 -0.1469 0.0690 0.1824 57DOPE C22 7248 5.926 2.680 6.082 -0.2629 -0.2650 0.1917 57DOPE H2R 7249 5.950 2.746 6.168 2.9331 -0.9544 -0.0142 57DOPE H2S 7250 5.851 2.727 6.015 -0.3766 1.0596 1.2015 57DOPE C3 7251 5.598 2.415 6.131 -0.4061 -0.2597 0.3232 57DOPE HX 7252 5.517 2.351 6.172 -0.8906 -0.5400 -1.0368 57DOPE HY 7253 5.673 2.339 6.100 0.1735 1.1373 -1.9172 57DOPE O31 7254 5.548 2.497 6.026 0.3687 -0.0516 0.1071 57DOPE C31 7255 5.535 2.425 5.914 0.0531 -0.0017 0.1103 57DOPE O32 7256 5.559 2.306 5.905 -0.1545 -0.0185 -0.2348 57DOPE C32 7257 5.483 2.515 5.802 0.2427 0.3095 0.2710 57DOPE H2X 7258 5.375 2.525 5.825 0.2076 1.1487 -0.2169 57DOPE H2Y 7259 5.518 2.620 5.803 -1.6871 0.9872 1.9295 57DOPE C23 7260 6.063 2.645 6.022 -0.1127 0.1002 0.3151 57DOPE H3R 7261 6.051 2.571 5.940 0.4984 1.8465 -1.4111 57DOPE H3S 7262 6.117 2.596 6.106 -1.1797 1.1233 1.6611 57DOPE C24 7263 6.136 2.774 5.985 -0.0130 -0.0382 0.0266 57DOPE H4R 7264 6.155 2.830 6.079 -2.8646 1.6441 -0.2771 57DOPE H4S 7265 6.070 2.836 5.920 -0.9300 -1.8957 -0.9082 57DOPE C25 7266 6.269 2.745 5.915 -0.0127 0.2726 -0.1033 57DOPE H5R 7267 6.250 2.684 5.824 -0.8708 0.0170 0.2364 57DOPE H5S 7268 6.335 2.693 5.987 -2.4414 -1.8131 0.7717 57DOPE C26 7269 6.349 2.866 5.867 0.6531 -0.1347 -0.0445 57DOPE H6R 7270 6.453 2.829 5.855 0.8532 0.2439 0.4593 57DOPE H6S 7271 6.348 2.948 5.943 1.3030 1.3549 -1.5877 57DOPE C27 7272 6.288 2.924 5.739 -0.4619 -0.0994 0.4840 57DOPE H7R 7273 6.185 2.964 5.752 -0.3920 0.4472 -0.5227 57DOPE H7S 7274 6.283 2.850 5.657 -2.0110 -0.1753 0.6286 57DOPE C28 7275 6.371 3.047 5.700 -0.7352 -0.0963 -0.0971 57DOPE H8R 7276 6.471 3.014 5.665 0.1858 1.9676 0.4279 57DOPE H8S 7277 6.382 3.113 5.788 -2.9105 1.8914 -1.2097 57DOPE C29 7278 6.304 3.123 5.589 -0.6390 -0.2211 -0.2410 57DOPE H9R 7279 6.195 3.118 5.590 -0.7600 -0.6209 -3.6543 57DOPE C210 7280 6.360 3.191 5.488 0.5348 -0.6875 0.0763 57DOPE H10R 7281 6.298 3.243 5.414 3.4909 3.5082 0.1574 57DOPE C211 7282 6.506 3.216 5.463 0.4044 0.0943 0.0577 57DOPE H11R 7283 6.540 3.184 5.362 3.7451 -1.0109 1.4054 57DOPE H11S 7284 6.564 3.164 5.542 -1.1664 -0.5287 0.8449 57DOPE C212 7285 6.540 3.365 5.465 -0.5694 0.3199 0.0823 57DOPE H12R 7286 6.487 3.401 5.374 -0.3151 1.5015 0.3861 57DOPE H12S 7287 6.651 3.369 5.454 -0.4919 -1.3211 0.0078 57DOPE C213 7288 6.491 3.450 5.582 -0.1455 0.1298 0.4003 57DOPE H13R 7289 6.380 3.451 5.582 -0.1900 -0.9537 -1.1503 57DOPE H13S 7290 6.527 3.555 5.582 -0.7190 0.3393 0.9048 57DOPE C214 7291 6.532 3.403 5.722 0.8305 -0.2553 -0.0059 57DOPE H14R 7292 6.640 3.380 5.728 0.6838 -0.9353 0.1595 57DOPE H14S 7293 6.469 3.316 5.750 0.9966 -0.5311 -0.4768 57DOPE C215 7294 6.507 3.498 5.840 0.3140 -0.2610 -0.1055 57DOPE H15R 7295 6.400 3.519 5.858 0.8120 0.0418 3.1423 57DOPE H15S 7296 6.564 3.592 5.827 -0.3324 0.2788 0.8578 57DOPE C216 7297 6.573 3.435 5.963 0.1163 -0.1859 0.0379 57DOPE H16R 7298 6.681 3.417 5.948 0.5810 2.2817 0.0005 57DOPE H16S 7299 6.529 3.334 5.977 2.4955 -1.1641 0.9518 57DOPE C217 7300 6.539 3.508 6.093 0.5123 0.1844 -0.0650 57DOPE H17R 7301 6.432 3.536 6.103 0.7224 0.4269 2.0609 57DOPE H17S 7302 6.602 3.600 6.094 -0.4618 0.8638 0.3854 57DOPE C218 7303 6.571 3.454 6.232 -0.3892 -0.5733 -0.1444 57DOPE H18R 7304 6.678 3.470 6.256 0.1034 -1.3190 -1.7681 57DOPE H18S 7305 6.540 3.347 6.240 0.0281 -0.8075 -1.4948 57DOPE H18T 7306 6.508 3.510 6.305 0.8900 -0.1096 0.6526 57DOPE C33 7307 5.482 2.443 5.667 -0.6826 0.6022 0.1155 57DOPE H3X 7308 5.431 2.344 5.667 2.5662 -1.2368 -1.1642 57DOPE H3Y 7309 5.588 2.408 5.662 -1.0880 -0.7470 0.5948 57DOPE C34 7310 5.446 2.531 5.547 0.4617 0.4110 -0.3831 57DOPE H4X 7311 5.343 2.565 5.567 0.6641 0.2201 1.1637 57DOPE H4Y 7312 5.525 2.609 5.558 0.7475 -0.2285 3.4015 57DOPE C35 7313 5.444 2.471 5.407 -0.1373 -0.1145 -0.1541 57DOPE H5X 7314 5.353 2.410 5.387 -1.0578 0.3137 2.4272 57DOPE H5Y 7315 5.531 2.407 5.380 -0.4026 -1.2495 1.5555 57DOPE C36 7316 5.441 2.575 5.294 0.2621 -0.0870 -0.1398 57DOPE H6X 7317 5.511 2.660 5.311 0.4970 -0.4525 0.7728 57DOPE H6Y 7318 5.466 2.535 5.193 0.4446 1.9429 -0.9456 57DOPE C37 7319 5.303 2.638 5.278 0.2454 0.0433 0.4846 57DOPE H7X 7320 5.226 2.558 5.264 1.0804 -1.8274 4.9235 57DOPE H7Y 7321 5.286 2.690 5.374 1.3083 0.5753 0.3982 57DOPE C38 7322 5.292 2.743 5.168 -0.0281 -0.1601 0.3141 57DOPE H8X 7323 5.358 2.715 5.083 -0.4520 0.5543 -0.2689 57DOPE H8Y 7324 5.184 2.744 5.141 0.2974 -1.5044 -1.2103 57DOPE C39 7325 5.343 2.875 5.221 -0.3643 -0.0365 0.3319 57DOPE H9X 7326 5.404 2.877 5.312 1.2779 -1.0430 -0.7090 57DOPE C310 7327 5.307 2.995 5.173 0.0386 -0.0089 0.0957 57DOPE H10X 7328 5.340 3.082 5.231 -0.1637 -1.5686 2.7260 57DOPE C311 7329 5.196 3.022 5.076 0.2320 0.2242 -0.0624 57DOPE H11X 7330 5.102 3.059 5.124 0.8935 -0.7768 2.1347 57DOPE H11Y 7331 5.160 2.937 5.014 -1.8704 -1.4904 3.1888 57DOPE C312 7332 5.250 3.133 4.986 0.3289 -0.1792 -0.5031 57DOPE H12X 7333 5.252 3.227 5.045 1.0499 -1.0965 0.9843 57DOPE H12Y 7334 5.354 3.114 4.952 0.2641 -1.3747 -0.0899 57DOPE C313 7335 5.173 3.162 4.857 -0.4095 -0.0810 -0.0482 57DOPE H13X 7336 5.163 3.064 4.805 0.7866 -1.0271 1.4266 57DOPE H13Y 7337 5.074 3.203 4.885 0.2484 1.8672 -0.4472 57DOPE C314 7338 5.234 3.266 4.762 -0.6142 0.4675 0.4184 57DOPE H14X 7339 5.330 3.226 4.723 0.5376 2.5519 0.9843 57DOPE H14Y 7340 5.258 3.359 4.818 1.0500 0.5844 -0.4346 57DOPE C315 7341 5.132 3.308 4.656 -0.4639 -0.2662 -0.0245 57DOPE H15X 7342 5.069 3.220 4.634 -1.0279 0.0716 0.2343 57DOPE H15Y 7343 5.077 3.397 4.693 1.2245 0.3033 1.2549 57DOPE C316 7344 5.185 3.356 4.520 0.7898 0.2253 0.6201 57DOPE H16X 7345 5.099 3.393 4.461 -0.1628 -0.1635 1.7123 57DOPE H16Y 7346 5.226 3.270 4.463 1.0175 1.7538 -1.6087 57DOPE C317 7347 5.299 3.457 4.528 0.6707 0.4042 0.0718 57DOPE H17X 7348 5.255 3.547 4.576 -0.2300 0.3264 -0.5943 57DOPE H17Y 7349 5.376 3.412 4.594 0.9182 -2.8066 -2.1930 57DOPE C318 7350 5.361 3.501 4.396 0.8818 -0.3922 -0.0977 57DOPE H18X 7351 5.430 3.585 4.419 0.4138 -0.3703 1.2762 57DOPE H18Y 7352 5.420 3.417 4.352 0.0182 -0.0207 -2.0991 57DOPE H18Z 7353 5.283 3.525 4.320 0.2850 0.2183 0.6937 58DOPE N 7354 4.975 0.603 6.746 0.4962 -0.1679 0.6147 58DOPE HN1 7355 5.077 0.610 6.768 0.9677 -2.0885 -0.6841 58DOPE HN2 7356 4.964 0.649 6.653 -1.9571 0.0320 0.9442 58DOPE HN3 7357 4.915 0.660 6.807 -1.3755 0.0344 -1.3032 58DOPE C12 7358 4.933 0.458 6.744 -0.1548 0.0270 -0.4417 58DOPE H12A 7359 4.862 0.439 6.827 -0.9804 -1.9051 -1.5201 58DOPE H12B 7360 5.023 0.395 6.762 -0.0021 0.9072 2.3449 58DOPE C11 7361 4.872 0.416 6.610 -0.6427 0.1010 -0.2441 58DOPE H11A 7362 4.846 0.308 6.603 -0.8181 0.1180 0.1085 58DOPE H11B 7363 4.950 0.438 6.534 1.3251 -0.2689 1.5769 58DOPE P 7364 4.632 0.441 6.506 0.1978 -0.3540 0.0674 58DOPE O13 7365 4.522 0.529 6.551 0.6647 0.3765 -0.2028 58DOPE O14 7366 4.622 0.295 6.528 0.1973 -0.3739 -0.0640 58DOPE O11 7367 4.666 0.466 6.351 0.4383 -0.8284 0.0419 58DOPE O12 7368 4.755 0.497 6.591 -0.3571 0.6325 0.2354 58DOPE C1 7369 4.780 0.547 6.322 0.1902 -0.4696 0.0659 58DOPE HA 7370 4.875 0.491 6.335 -0.6035 -1.6972 0.7025 58DOPE HB 7371 4.795 0.636 6.387 -1.3790 0.5504 -0.8934 58DOPE C2 7372 4.778 0.606 6.180 -0.0621 0.0129 0.2679 58DOPE HS 7373 4.868 0.669 6.161 -0.0964 0.3567 1.2071 58DOPE O21 7374 4.657 0.680 6.163 0.0439 0.1442 0.0763 58DOPE C21 7375 4.658 0.809 6.200 0.2284 0.1665 -0.0091 58DOPE O22 7376 4.757 0.871 6.236 0.4005 -0.1614 0.0951 58DOPE C22 7377 4.515 0.857 6.188 0.0664 -0.3125 -0.0210 58DOPE H2R 7378 4.516 0.927 6.274 -1.4156 -2.2197 1.6432 58DOPE H2S 7379 4.439 0.780 6.214 0.0245 -0.4226 -0.4573 58DOPE C3 7380 4.776 0.500 6.068 -0.8168 0.3191 -0.0133 58DOPE HX 7381 4.685 0.437 6.079 -0.2749 -1.0069 -2.4415 58DOPE HY 7382 4.858 0.427 6.080 -2.2907 -1.4159 -0.1403 58DOPE O31 7383 4.768 0.548 5.934 0.4070 -0.2990 -0.3175 58DOPE C31 7384 4.882 0.587 5.876 0.3588 -0.2773 -0.3979 58DOPE O32 7385 4.987 0.600 5.937 -0.1186 -0.5216 0.4905 58DOPE C32 7386 4.843 0.639 5.738 -0.7097 -0.3433 -0.1278 58DOPE H2X 7387 4.740 0.612 5.705 -0.7680 0.4950 -0.6466 58DOPE H2Y 7388 4.842 0.750 5.741 -0.1655 -0.2596 -1.8788 58DOPE C23 7389 4.488 0.935 6.059 -0.0977 -0.3183 0.0099 58DOPE H3R 7390 4.579 0.993 6.035 -0.0412 0.1114 1.2262 58DOPE H3S 7391 4.407 1.005 6.091 -0.6388 0.7906 -3.3486 58DOPE C24 7392 4.441 0.848 5.942 -0.0083 -0.2560 -0.0718 58DOPE H4R 7393 4.337 0.811 5.955 -0.1570 0.6746 1.6981 58DOPE H4S 7394 4.503 0.756 5.948 0.2123 -0.1265 -0.3363 58DOPE C25 7395 4.461 0.922 5.809 0.0162 0.2963 0.2376 58DOPE H5R 7396 4.562 0.965 5.798 -0.4325 0.8819 -2.2721 58DOPE H5S 7397 4.401 1.016 5.815 -1.1079 -0.4592 1.4488 58DOPE C26 7398 4.424 0.829 5.693 -0.2894 -0.0813 0.6307 58DOPE H6R 7399 4.316 0.807 5.697 -0.3801 0.3048 0.4393 58DOPE H6S 7400 4.483 0.735 5.691 -1.8202 -1.1389 2.3778 58DOPE C27 7401 4.439 0.905 5.561 0.2764 -0.2851 0.5734 58DOPE H7R 7402 4.539 0.949 5.580 -0.3317 -0.4215 5.4227 58DOPE H7S 7403 4.383 1.001 5.557 1.3445 0.3182 -1.9013 58DOPE C28 7404 4.411 0.822 5.436 0.4691 -0.4921 0.6673 58DOPE H8R 7405 4.436 0.887 5.349 0.4103 0.3966 1.2974 58DOPE H8S 7406 4.302 0.805 5.424 0.7617 -1.4020 -1.1765 58DOPE C29 7407 4.486 0.693 5.421 0.2272 -0.5242 -0.4029 58DOPE H9R 7408 4.532 0.653 5.513 0.7278 1.3935 0.2136 58DOPE C210 7409 4.509 0.632 5.304 0.3085 -0.3136 -0.4962 58DOPE H10R 7410 4.554 0.532 5.313 1.6536 0.1444 -1.7631 58DOPE C211 7411 4.438 0.660 5.175 0.3890 0.2568 -0.4190 58DOPE H11R 7412 4.409 0.765 5.153 -0.4808 -0.0605 -0.8441 58DOPE H11S 7413 4.350 0.597 5.150 1.5907 -1.5660 -0.2605 58DOPE C212 7414 4.541 0.610 5.073 0.1112 -0.8773 -0.1558 58DOPE H12R 7415 4.569 0.503 5.076 -1.3949 -1.3033 -0.3629 58DOPE H12S 7416 4.630 0.677 5.082 -1.0358 0.9759 -1.8433 58DOPE C213 7417 4.513 0.630 4.924 -0.5436 0.7875 0.1659 58DOPE H13R 7418 4.424 0.570 4.898 0.0244 1.0574 -2.7212 58DOPE H13S 7419 4.600 0.592 4.865 -1.1063 0.2452 -0.3256 58DOPE C214 7420 4.486 0.776 4.887 0.5470 1.2051 0.9379 58DOPE H14R 7421 4.541 0.849 4.950 0.3288 0.6881 1.7399 58DOPE H14S 7422 4.379 0.800 4.909 -0.8876 -2.7583 -0.7676 58DOPE C215 7423 4.535 0.813 4.747 -0.0713 0.2674 0.4655 58DOPE H15R 7424 4.478 0.749 4.675 -2.4204 -0.3091 2.6784 58DOPE H15S 7425 4.641 0.782 4.738 -0.2706 -0.0471 -1.3847 58DOPE C216 7426 4.527 0.963 4.722 -0.1161 0.0528 -0.9443 58DOPE H16R 7427 4.617 1.011 4.765 -0.7171 -0.5277 1.0728 58DOPE H16S 7428 4.432 0.986 4.776 0.8971 -1.4458 1.6560 58DOPE C217 7429 4.521 1.001 4.574 0.2572 0.4651 -0.8556 58DOPE H17R 7430 4.446 0.934 4.528 0.4776 0.9998 -2.0476 58DOPE H17S 7431 4.626 0.991 4.539 1.5109 1.6488 2.1846 58DOPE C218 7432 4.479 1.146 4.552 -0.6319 0.3304 -0.0785 58DOPE H18R 7433 4.381 1.168 4.601 0.4161 2.5159 1.2177 58DOPE H18S 7434 4.474 1.176 4.445 0.9376 1.4669 0.1300 58DOPE H18T 7435 4.551 1.219 4.595 -0.2256 1.1665 -2.0715 58DOPE C33 7436 4.940 0.592 5.630 -0.2534 0.0813 0.0909 58DOPE H3X 7437 5.039 0.641 5.638 -1.2256 2.1462 0.1363 58DOPE H3Y 7438 4.955 0.483 5.643 1.3706 0.3149 0.2813 58DOPE C34 7439 4.881 0.614 5.490 0.0157 -0.4783 -0.1143 58DOPE H4X 7440 4.781 0.566 5.487 -0.4557 0.5313 -1.2813 58DOPE H4Y 7441 4.865 0.723 5.477 -1.2259 -0.1329 3.3454 58DOPE C35 7442 4.978 0.569 5.381 0.0195 0.2267 -0.4051 58DOPE H5X 7443 4.991 0.459 5.392 1.8684 0.4622 0.1402 58DOPE H5Y 7444 5.081 0.604 5.406 -0.0125 -0.3204 0.5309 58DOPE C36 7445 4.928 0.606 5.241 -0.1094 0.2195 -0.3615 58DOPE H6X 7446 4.843 0.545 5.206 -1.6038 1.0599 1.5848 58DOPE H6Y 7447 4.894 0.712 5.253 1.6895 0.6951 1.1583 58DOPE C37 7448 5.033 0.602 5.130 -0.0099 0.2340 -0.2694 58DOPE H7X 7449 5.114 0.672 5.155 1.0040 -0.8022 -0.5690 58DOPE H7Y 7450 5.089 0.506 5.128 -1.0987 -0.4170 -1.3603 58DOPE C38 7451 4.977 0.621 4.988 -0.1115 0.3780 -0.2112 58DOPE H8X 7452 4.895 0.548 4.972 0.6754 -0.9152 1.3299 58DOPE H8Y 7453 4.929 0.721 4.991 2.0266 1.4553 1.2148 58DOPE C39 7454 5.070 0.616 4.870 0.2711 0.2052 0.0941 58DOPE H9X 7455 5.131 0.525 4.859 0.8771 0.6111 0.0153 58DOPE C310 7456 5.076 0.708 4.773 0.1876 0.1839 0.0690 58DOPE H10X 7457 5.148 0.686 4.692 -0.6903 0.6471 -0.8585 58DOPE C311 7458 4.993 0.833 4.761 0.4800 0.4119 0.4151 58DOPE H11X 7459 4.889 0.818 4.797 -0.3635 0.1153 -1.9590 58DOPE H11Y 7460 5.038 0.904 4.833 -0.8430 -0.4235 2.1281 58DOPE C312 7461 4.999 0.874 4.614 -0.3236 -0.2153 0.2019 58DOPE H12X 7462 5.106 0.864 4.584 -0.1977 0.4153 0.4271 58DOPE H12Y 7463 4.952 0.801 4.544 0.3106 -1.3225 0.8961 58DOPE C313 7464 4.942 1.008 4.568 -0.1985 -0.2788 -0.1418 58DOPE H13X 7465 5.015 1.080 4.611 0.9146 -1.1885 -0.4713 58DOPE H13Y 7466 4.842 1.026 4.613 -0.5739 0.7382 -1.3322 58DOPE C314 7467 4.957 1.023 4.416 0.1727 0.2783 -0.0542 58DOPE H14X 7468 5.063 1.008 4.388 0.4807 -1.8111 1.9000 58DOPE H14Y 7469 4.909 0.935 4.368 0.0434 -0.8070 1.9272 58DOPE C315 7470 4.910 1.159 4.363 -0.1115 0.2291 0.0709 58DOPE H15X 7471 4.950 1.246 4.420 0.6797 -0.0118 -0.1079 58DOPE H15Y 7472 4.800 1.159 4.374 -0.2717 1.9311 -1.2392 58DOPE C316 7473 4.966 1.185 4.224 0.4050 -0.1298 0.2075 58DOPE H16X 7474 5.076 1.191 4.240 0.6152 0.5184 -1.3080 58DOPE H16Y 7475 4.927 1.111 4.151 -0.8251 1.3130 -0.6559 58DOPE C317 7476 4.934 1.327 4.177 -0.1507 -0.3586 -0.1157 58DOPE H17X 7477 4.965 1.404 4.252 0.6264 -0.1830 -0.6039 58DOPE H17Y 7478 5.005 1.342 4.093 1.6007 -0.2948 1.3171 58DOPE C318 7479 4.788 1.331 4.133 -0.1217 -0.6848 -0.2426 58DOPE H18X 7480 4.717 1.291 4.208 0.7685 0.0659 1.0464 58DOPE H18Y 7481 4.770 1.438 4.107 0.9394 -0.5392 -0.4432 58DOPE H18Z 7482 4.786 1.274 4.037 -1.3576 -0.9176 -0.0908 59DOPE N 7483 1.245 0.599 6.320 0.1526 -0.3306 0.6634 59DOPE HN1 7484 1.334 0.574 6.274 -0.0338 -0.1239 0.1815 59DOPE HN2 7485 1.269 0.655 6.404 2.4145 -0.1247 -0.0634 59DOPE HN3 7486 1.205 0.509 6.354 1.8292 -1.6228 -0.6553 59DOPE C12 7487 1.159 0.665 6.215 0.5991 -0.3014 0.3157 59DOPE H12A 7488 1.163 0.596 6.128 -2.3728 -1.1515 0.7594 59DOPE H12B 7489 1.215 0.757 6.185 2.6751 -1.4069 0.6104 59DOPE C11 7490 1.026 0.700 6.281 0.5683 0.0685 0.0655 59DOPE H11A 7491 0.950 0.727 6.204 -1.1679 -2.7869 0.6095 59DOPE H11B 7492 1.039 0.784 6.352 -1.9872 -0.2138 0.9935 59DOPE P 7493 0.838 0.609 6.423 -0.1942 -0.0565 -0.1140 59DOPE O13 7494 0.842 0.733 6.502 -0.2811 -0.1017 -0.0377 59DOPE O14 7495 0.802 0.493 6.507 -0.4789 0.2816 0.2336 59DOPE O11 7496 0.733 0.623 6.302 -0.0189 -0.1582 -0.2783 59DOPE O12 7497 0.982 0.586 6.356 0.0268 0.3740 0.2142 59DOPE C1 7498 0.617 0.705 6.317 -0.2320 -0.4345 -0.4323 59DOPE HA 7499 0.587 0.744 6.217 1.1560 1.3635 -0.1938 59DOPE HB 7500 0.621 0.789 6.388 -0.5499 -0.0349 -0.8774 59DOPE C2 7501 0.502 0.617 6.370 -0.0424 -0.2309 0.3261 59DOPE HS 7502 0.533 0.600 6.475 1.0912 0.0148 0.0517 59DOPE O21 7503 0.496 0.493 6.299 -0.1544 -0.1664 0.2215 59DOPE C21 7504 0.455 0.392 6.377 0.3994 -0.4458 0.1604 59DOPE O22 7505 0.430 0.408 6.496 -0.0846 -0.7391 0.1002 59DOPE C22 7506 0.419 0.266 6.300 -0.2567 -0.0915 -0.1232 59DOPE H2R 7507 0.312 0.270 6.272 -0.0500 -0.1293 -0.9302 59DOPE H2S 7508 0.429 0.178 6.368 -1.0449 0.9313 1.3957 59DOPE C3 7509 0.366 0.689 6.368 0.4105 0.6339 -0.0532 59DOPE HX 7510 0.383 0.787 6.418 1.7188 0.6400 -0.4634 59DOPE HY 7511 0.291 0.640 6.434 0.6577 -0.2214 -0.3917 59DOPE O31 7512 0.319 0.694 6.233 0.1289 0.1522 0.0233 59DOPE C31 7513 0.236 0.797 6.213 0.4257 0.3143 -0.3867 59DOPE O32 7514 0.211 0.881 6.297 0.2826 0.0625 -0.1746 59DOPE C32 7515 0.201 0.794 6.065 -0.1756 0.4059 -0.2455 59DOPE H2X 7516 0.271 0.870 6.026 2.4136 -1.2299 0.9751 59DOPE H2Y 7517 0.230 0.697 6.020 -1.6772 -2.0679 3.5973 59DOPE C23 7518 0.504 0.237 6.177 -0.0978 0.1334 -0.0680 59DOPE H3R 7519 0.600 0.290 6.194 0.8839 -2.1318 2.2650 59DOPE H3S 7520 0.455 0.281 6.088 -0.5029 -0.4268 -0.1285 59DOPE C24 7521 0.536 0.088 6.160 -0.2987 0.1094 -0.2273 59DOPE H4R 7522 0.442 0.031 6.142 -0.6698 0.5128 0.4068 59DOPE H4S 7523 0.585 0.054 6.253 0.1326 1.4064 0.0309 59DOPE C25 7524 0.645 0.068 6.054 0.2374 -0.1922 0.3775 59DOPE H5R 7525 0.667 -0.041 6.055 -3.1755 -0.9985 -0.6653 59DOPE H5S 7526 0.739 0.120 6.082 0.2255 -0.2620 0.5475 59DOPE C26 7527 0.613 0.106 5.909 0.1009 -0.0564 0.4419 59DOPE H6R 7528 0.698 0.077 5.844 -1.1017 -1.2777 -0.6474 59DOPE H6S 7529 0.593 0.214 5.896 -0.5685 -0.2209 0.0452 59DOPE C27 7530 0.501 0.021 5.849 0.1229 -0.1034 0.4671 59DOPE H7R 7531 0.406 0.033 5.907 -0.0514 0.8177 -0.0002 59DOPE H7S 7532 0.535 -0.085 5.840 1.3789 0.3631 -0.5511 59DOPE C28 7533 0.476 0.058 5.703 0.5319 -0.8475 0.2015 59DOPE H8R 7534 0.569 0.045 5.645 -0.7340 -1.9468 -1.7125 59DOPE H8S 7535 0.440 0.163 5.696 0.1464 -1.0331 -0.6735 59DOPE C29 7536 0.368 -0.030 5.647 -0.6092 0.5437 0.1508 59DOPE H9R 7537 0.296 -0.065 5.723 -0.5061 1.5698 0.7376 59DOPE C210 7538 0.348 -0.066 5.519 -0.3517 -0.1160 0.2914 59DOPE H10R 7539 0.261 -0.125 5.490 -0.7787 0.0817 1.1365 59DOPE C211 7540 0.438 -0.016 5.410 -0.1260 -0.7501 0.1848 59DOPE H11R 7541 0.530 0.028 5.454 -0.6825 -0.5194 1.1532 59DOPE H11S 7542 0.383 0.051 5.340 0.5237 -2.6397 -2.2905 59DOPE C212 7543 0.475 -0.139 5.327 -0.1479 -0.2761 -0.5407 59DOPE H12R 7544 0.381 -0.180 5.283 0.1246 -1.4117 -0.1009 59DOPE H12S 7545 0.521 -0.221 5.386 -1.4136 0.1172 1.0985 59DOPE C213 7546 0.567 -0.116 5.207 0.8851 0.4873 0.3853 59DOPE H13R 7547 0.656 -0.073 5.259 0.3737 0.7009 1.0989 59DOPE H13S 7548 0.534 -0.034 5.140 -0.2643 0.0525 0.3962 59DOPE C214 7549 0.595 -0.246 5.132 0.0455 0.4254 0.1727 59DOPE H14R 7550 0.504 -0.283 5.079 0.0719 0.9424 -0.2342 59DOPE H14S 7551 0.621 -0.323 5.208 1.3168 0.7979 0.1269 59DOPE C215 7552 0.716 -0.248 5.040 -0.2302 -0.6055 -0.1840 59DOPE H15R 7553 0.797 -0.200 5.100 -0.7916 -1.1827 1.0576 59DOPE H15S 7554 0.695 -0.191 4.947 -0.8205 -0.1355 0.2377 59DOPE C216 7555 0.754 -0.390 4.998 -0.0582 -0.6317 0.0540 59DOPE H16R 7556 0.665 -0.435 4.948 0.1960 1.5262 -2.5855 59DOPE H16S 7557 0.778 -0.442 5.093 2.0775 0.5275 0.1981 59DOPE C217 7558 0.878 -0.396 4.908 -0.2159 -0.5056 -0.1753 59DOPE H17R 7559 0.928 -0.494 4.924 -0.8365 -0.9788 -1.0599 59DOPE H17S 7560 0.953 -0.319 4.936 1.6108 -2.3134 0.1678 59DOPE C218 7561 0.853 -0.384 4.758 -0.8485 -0.1559 -0.0481 59DOPE H18R 7562 0.923 -0.310 4.714 -1.3826 -0.0241 -0.6911 59DOPE H18S 7563 0.754 -0.344 4.730 -0.8172 -0.1701 -0.1804 59DOPE H18T 7564 0.867 -0.484 4.710 2.3406 -0.4364 1.1825 59DOPE C33 7565 0.056 0.836 6.037 -0.5074 -0.5209 0.0336 59DOPE H3X 7566 0.027 0.922 6.102 -0.1776 -0.4466 0.0845 59DOPE H3Y 7567 -0.000 0.749 6.077 0.3034 -0.9101 0.3569 59DOPE C34 7568 0.023 0.855 5.889 -0.1097 -0.0885 -0.0033 59DOPE H4X 7569 -0.083 0.888 5.881 0.5497 1.7902 -2.3003 59DOPE H4Y 7570 0.093 0.920 5.832 1.6262 -3.1176 -1.5946 59DOPE C35 7571 0.035 0.729 5.804 -0.1207 0.0986 -0.2846 59DOPE H5X 7572 -0.023 0.642 5.841 1.1839 -0.6857 -0.0175 59DOPE H5Y 7573 0.140 0.694 5.816 -0.6713 -1.1688 1.3056 59DOPE C36 7574 -0.009 0.741 5.658 0.0850 -0.0735 -0.3639 59DOPE H6X 7575 -0.009 0.641 5.612 0.2374 0.5224 -1.6925 59DOPE H6Y 7576 -0.112 0.783 5.669 0.0831 -0.4776 1.4587 59DOPE C37 7577 0.066 0.834 5.562 0.1342 0.4075 0.1312 59DOPE H7X 7578 0.015 0.849 5.465 0.3710 -1.5621 -0.3346 59DOPE H7Y 7579 0.069 0.932 5.614 -0.8737 0.6280 -0.2007 59DOPE C38 7580 0.210 0.800 5.524 -0.0942 -0.1815 -0.2198 59DOPE H8X 7581 0.256 0.769 5.620 -0.8947 -1.7720 -0.3146 59DOPE H8Y 7582 0.230 0.722 5.448 -2.3787 0.4348 -1.5339 59DOPE C39 7583 0.295 0.915 5.481 -0.2657 -0.0554 -0.2224 59DOPE H9X 7584 0.310 0.987 5.563 0.2829 -3.0890 2.5430 59DOPE C310 7585 0.354 0.932 5.361 -0.3264 -0.1835 -0.2710 59DOPE H10X 7586 0.411 1.026 5.350 0.8393 -0.7662 0.4959 59DOPE C311 7587 0.363 0.844 5.240 0.0698 -0.1238 -0.2865 59DOPE H11X 7588 0.343 0.737 5.263 -1.4738 0.1175 -0.4216 59DOPE H11Y 7589 0.273 0.870 5.181 -0.6912 1.9249 1.6426 59DOPE C312 7590 0.487 0.865 5.153 0.0914 0.0445 -0.2160 59DOPE H12X 7591 0.579 0.853 5.214 -1.1684 -0.3631 1.6990 59DOPE H12Y 7592 0.478 0.958 5.093 0.2444 0.6061 0.6192 59DOPE C313 7593 0.497 0.747 5.056 0.2761 0.1400 -0.3127 59DOPE H13X 7594 0.514 0.650 5.108 -1.6515 -0.7000 -1.1528 59DOPE H13Y 7595 0.401 0.740 5.000 1.0975 1.3443 -1.9486 59DOPE C314 7596 0.598 0.773 4.944 0.2524 0.0655 -0.3514 59DOPE H14X 7597 0.698 0.798 4.987 -0.0410 0.5009 0.0803 59DOPE H14Y 7598 0.558 0.868 4.904 -0.3657 -0.7162 -1.6561 59DOPE C315 7599 0.611 0.665 4.836 -0.0366 -0.2016 -0.1218 59DOPE H15X 7600 0.657 0.574 4.879 0.6339 0.5408 0.7870 59DOPE H15Y 7601 0.684 0.696 4.757 0.8751 0.2011 0.8527 59DOPE C316 7602 0.474 0.614 4.791 0.0179 -0.5080 0.0594 59DOPE H16X 7603 0.415 0.698 4.749 0.7177 0.0537 0.1832 59DOPE H16Y 7604 0.423 0.563 4.876 -0.0874 -2.3047 -1.0248 59DOPE C317 7605 0.501 0.522 4.672 0.1963 0.2430 -0.4845 59DOPE H17X 7606 0.428 0.439 4.666 0.1712 0.3280 -1.7558 59DOPE H17Y 7607 0.603 0.482 4.689 0.5004 0.5654 -1.4906 59DOPE C318 7608 0.483 0.608 4.547 0.1113 0.7608 -0.1204 59DOPE H18X 7609 0.381 0.651 4.541 0.1910 1.2000 1.3860 59DOPE H18Y 7610 0.554 0.694 4.545 1.5340 -0.3577 0.4702 59DOPE H18Z 7611 0.487 0.543 4.456 -0.4921 -0.6998 0.8651 60DOPE N 7612 5.411 1.230 6.635 -0.0801 0.2116 -0.2638 60DOPE HN1 7613 5.459 1.316 6.604 -1.1977 0.1011 -2.4372 60DOPE HN2 7614 5.427 1.152 6.568 -1.9952 0.8854 -1.5939 60DOPE HN3 7615 5.310 1.252 6.641 -0.1220 0.1975 -0.8848 60DOPE C12 7616 5.444 1.190 6.777 -0.1924 0.1738 -0.2478 60DOPE H12A 7617 5.398 1.093 6.806 0.2736 0.1117 0.3194 60DOPE H12B 7618 5.402 1.273 6.838 1.1850 1.1736 -0.5877 60DOPE C11 7619 5.594 1.185 6.809 -0.3096 -0.2443 0.2454 60DOPE H11A 7620 5.603 1.124 6.902 -0.8875 -1.0767 -0.2307 60DOPE H11B 7621 5.639 1.286 6.824 0.6103 -0.5177 -0.5633 60DOPE P 7622 5.738 0.992 6.712 -0.2408 -0.0287 -0.4401 60DOPE O13 7623 5.642 0.892 6.662 -0.4475 -0.3344 0.5482 60DOPE O14 7624 5.796 0.979 6.848 0.3082 0.8210 -0.5892 60DOPE O11 7625 5.856 1.000 6.604 -0.4450 0.5268 -0.6230 60DOPE O12 7626 5.664 1.132 6.696 -0.8953 -0.3302 -0.0780 60DOPE C1 7627 5.932 1.119 6.577 0.5214 0.1354 0.2947 60DOPE HA 7628 6.027 1.082 6.533 1.1635 -1.1068 2.5525 60DOPE HB 7629 5.960 1.187 6.660 -1.0378 2.6178 -1.1144 60DOPE C2 7630 5.869 1.200 6.463 0.1725 -0.4140 0.0903 60DOPE HS 7631 5.785 1.244 6.521 1.4231 -0.0730 1.7148 60DOPE O21 7632 5.818 1.118 6.358 0.4721 -0.1973 -0.2290 60DOPE C21 7633 5.703 1.164 6.308 0.2150 -0.3573 0.2068 60DOPE O22 7634 5.643 1.263 6.347 0.2590 -0.1442 -0.2567 60DOPE C22 7635 5.667 1.086 6.183 -0.6485 0.0130 0.2204 60DOPE H2R 7636 5.635 0.984 6.212 0.2401 -0.8051 -1.4823 60DOPE H2S 7637 5.755 1.081 6.115 -0.1446 0.2255 0.8447 60DOPE C3 7638 5.954 1.319 6.414 -0.1296 -0.1808 0.1273 60DOPE HX 7639 5.985 1.362 6.512 0.8782 0.7154 -0.5551 60DOPE HY 7640 5.888 1.388 6.358 1.3744 -0.6023 -2.3401 60DOPE O31 7641 6.072 1.280 6.342 -0.3757 -0.3905 -0.1683 60DOPE C31 7642 6.049 1.256 6.213 0.0880 -0.1635 -0.2930 60DOPE O32 7643 5.943 1.272 6.155 0.0583 0.1024 -0.1678 60DOPE C32 7644 6.176 1.196 6.153 0.4346 -0.2976 0.5598 60DOPE H2X 7645 6.208 1.120 6.228 -2.5668 -1.3521 0.9188 60DOPE H2Y 7646 6.150 1.149 6.056 0.4026 0.3584 0.2474 60DOPE C23 7647 5.550 1.162 6.119 -0.5100 0.3605 0.3759 60DOPE H3R 7648 5.564 1.268 6.092 1.2910 0.2450 0.7143 60DOPE H3S 7649 5.470 1.165 6.197 0.1533 -1.6869 1.2127 60DOPE C24 7650 5.487 1.088 6.001 0.2133 -0.1242 0.2869 60DOPE H4R 7651 5.413 1.155 5.952 0.3391 -0.9272 -1.0720 60DOPE H4S 7652 5.440 0.995 6.039 1.2434 -1.9801 -2.6177 60DOPE C25 7653 5.590 1.044 5.897 -0.0252 0.1060 -0.0483 60DOPE H5R 7654 5.532 0.990 5.819 0.0952 -0.3958 0.2108 60DOPE H5S 7655 5.663 0.976 5.944 0.5025 0.8761 0.2640 60DOPE C26 7656 5.666 1.160 5.832 -0.4360 0.7022 0.5240 60DOPE H6R 7657 5.698 1.223 5.918 0.0499 -0.8570 1.5420 60DOPE H6S 7658 5.594 1.222 5.775 -0.2962 1.4731 1.1670 60DOPE C27 7659 5.776 1.110 5.738 -0.8750 0.4268 0.1526 60DOPE H7R 7660 5.829 1.025 5.786 -0.2773 0.6465 -0.1020 60DOPE H7S 7661 5.855 1.189 5.734 2.5142 -2.7185 -0.5724 60DOPE C28 7662 5.736 1.065 5.597 -0.2058 0.3212 -0.0089 60DOPE H8R 7663 5.653 1.132 5.565 -2.2806 -0.7252 2.7429 60DOPE H8S 7664 5.697 0.962 5.595 0.1048 0.2185 -1.9474 60DOPE C29 7665 5.852 1.067 5.502 -0.5934 0.0222 -0.4920 60DOPE H9R 7666 5.911 1.160 5.514 -2.2855 0.9827 0.8824 60DOPE C210 7667 5.896 0.974 5.416 -0.2064 -0.0165 -0.2571 60DOPE H10R 7668 5.992 0.994 5.367 -0.6294 1.1253 -0.6706 60DOPE C211 7669 5.822 0.851 5.373 -0.2048 -0.1614 0.1556 60DOPE H11R 7670 5.712 0.856 5.386 -0.2287 0.2635 -0.1953 60DOPE H11S 7671 5.846 0.760 5.433 1.1545 -0.7340 -1.1688 60DOPE C212 7672 5.846 0.802 5.230 0.2998 0.1134 0.1428 60DOPE H12R 7673 5.815 0.885 5.163 0.1236 -0.8439 -0.9879 60DOPE H12S 7674 5.774 0.719 5.213 -0.8311 1.4214 -1.7304 60DOPE C213 7675 5.986 0.748 5.200 0.3005 -0.0841 0.4938 60DOPE H13R 7676 6.026 0.713 5.297 -2.0211 2.1887 2.3976 60DOPE H13S 7677 6.052 0.829 5.165 0.4535 -0.1216 0.6980 60DOPE C214 7678 5.988 0.644 5.087 0.0197 -0.0224 0.4304 60DOPE H14R 7679 5.904 0.571 5.098 -0.2994 -0.0931 -1.9346 60DOPE H14S 7680 5.968 0.692 4.990 -2.6140 -1.2346 0.2619 60DOPE C215 7681 6.117 0.562 5.091 -0.0332 -0.1085 0.4802 60DOPE H15R 7682 6.137 0.543 5.198 2.4811 -0.9309 -0.0458 60DOPE H15S 7683 6.204 0.621 5.054 -1.1768 0.5813 -1.2263 60DOPE C216 7684 6.110 0.433 5.009 0.2420 0.1336 0.0691 60DOPE H16R 7685 6.005 0.400 5.021 0.3980 -0.5529 -0.3947 60DOPE H16S 7686 6.164 0.350 5.059 -0.3229 -0.5750 -0.4740 60DOPE C217 7687 6.157 0.444 4.864 -0.5619 0.3844 -0.1771 60DOPE H17R 7688 6.172 0.338 4.833 -0.1009 0.2667 0.4544 60DOPE H17S 7689 6.261 0.482 4.858 -0.4432 -0.0713 -1.4524 60DOPE C218 7690 6.065 0.510 4.760 -0.2549 0.2494 -0.5383 60DOPE H18R 7691 6.111 0.511 4.659 1.5517 0.3661 0.2347 60DOPE H18S 7692 6.034 0.613 4.785 0.1746 0.1081 0.6632 60DOPE H18T 7693 5.971 0.451 4.756 -0.1282 -0.1036 0.9271 60DOPE C33 7694 6.280 1.307 6.136 -0.0236 -0.0081 -0.4273 60DOPE H3X 7695 6.282 1.366 6.230 0.2163 -0.6910 0.0095 60DOPE H3Y 7696 6.246 1.376 6.056 -1.3966 -1.3915 -1.0872 60DOPE C34 7697 6.418 1.245 6.111 0.1504 0.0700 0.3082 60DOPE H4X 7698 6.498 1.316 6.142 0.5849 0.6441 -1.8876 60DOPE H4Y 7699 6.425 1.154 6.173 -0.5412 -0.6593 -0.6628 60DOPE C35 7700 6.445 1.192 5.970 0.0185 0.0883 0.2753 60DOPE H5X 7701 6.458 1.266 5.888 0.3755 -0.3656 -0.0856 60DOPE H5Y 7702 6.353 1.136 5.944 -1.0417 2.0644 -0.4021 60DOPE C36 7703 6.567 1.099 5.969 -0.0472 0.0021 0.1623 60DOPE H6X 7704 6.545 1.025 6.049 -0.9579 -0.8697 -0.8660 60DOPE H6Y 7705 6.664 1.148 5.994 1.6138 -1.7223 -2.4394 60DOPE C37 7706 6.589 1.024 5.838 0.0589 -0.1273 0.2535 60DOPE H7X 7707 6.655 0.936 5.851 0.3374 -0.4942 -2.8429 60DOPE H7Y 7708 6.489 0.989 5.806 0.6674 -0.5995 -1.2208 60DOPE C38 7709 6.654 1.116 5.733 -0.2721 -0.3263 -0.1272 60DOPE H8X 7710 6.743 1.171 5.769 0.0774 -0.6423 -0.5014 60DOPE H8Y 7711 6.581 1.192 5.697 0.4019 -0.1425 -1.1425 60DOPE C39 7712 6.684 1.042 5.606 0.0906 -0.0800 -0.1843 60DOPE H9X 7713 6.673 0.933 5.618 -1.4965 -0.2468 -2.5126 60DOPE C310 7714 6.700 1.086 5.480 -0.2306 -0.5442 -0.3916 60DOPE H10X 7715 6.724 1.015 5.400 1.4943 -0.0281 -0.3824 60DOPE C311 7716 6.716 1.231 5.443 0.1878 -0.3575 0.4716 60DOPE H11X 7717 6.687 1.311 5.514 -0.2566 0.3710 -0.5043 60DOPE H11Y 7718 6.823 1.250 5.423 -0.3733 1.8870 -0.7123 60DOPE C312 7719 6.630 1.261 5.320 0.9999 -0.0099 -0.0198 60DOPE H12X 7720 6.522 1.251 5.347 0.3109 1.4468 -1.9966 60DOPE H12Y 7721 6.654 1.178 5.250 0.5281 0.8472 -1.2394 60DOPE C313 7722 6.666 1.401 5.270 -0.2693 0.4531 0.3197 60DOPE H13X 7723 6.661 1.471 5.356 0.1623 0.1962 0.5571 60DOPE H13Y 7724 6.769 1.388 5.230 -0.3632 1.1431 -0.1656 60DOPE C314 7725 6.577 1.448 5.155 0.0211 0.0388 -0.0754 60DOPE H14X 7726 6.587 1.559 5.148 -1.3088 0.1185 -1.2043 60DOPE H14Y 7727 6.471 1.431 5.180 -0.3747 0.6594 -1.2569 60DOPE C315 7728 6.594 1.387 5.015 0.2657 -0.2121 0.0615 60DOPE H15X 7729 6.555 1.283 5.016 0.6367 -0.3508 -0.1860 60DOPE H15Y 7730 6.702 1.386 4.990 -0.0977 3.2142 -2.4622 60DOPE C316 7731 6.518 1.466 4.908 0.0631 0.1199 0.4464 60DOPE H16X 7732 6.574 1.561 4.895 -0.5267 0.2525 -1.3693 60DOPE H16Y 7733 6.419 1.494 4.950 0.0637 -1.1014 1.3356 60DOPE C317 7734 6.510 1.395 4.773 -0.1828 0.3797 0.3235 60DOPE H17X 7735 6.431 1.446 4.714 -0.7044 -0.8044 -0.0194 60DOPE H17Y 7736 6.486 1.288 4.791 -0.2006 0.5760 1.5244 60DOPE C318 7737 6.643 1.397 4.698 -0.1452 -0.6226 0.3524 60DOPE H18X 7738 6.713 1.323 4.743 0.2587 -1.3554 -1.3940 60DOPE H18Y 7739 6.626 1.371 4.591 -0.6328 0.6425 0.1063 60DOPE H18Z 7740 6.679 1.502 4.699 -0.2307 -0.5569 -1.2242 61DOPE N 7741 5.314 2.676 6.662 0.0360 -0.4959 0.3994 61DOPE HN1 7742 5.266 2.656 6.752 -0.7386 -1.2638 -0.1654 61DOPE HN2 7743 5.405 2.626 6.669 -0.2748 -1.6764 -2.5915 61DOPE HN3 7744 5.334 2.778 6.656 0.2196 -0.6038 -1.5613 61DOPE C12 7745 5.249 2.651 6.528 0.1609 -0.0223 0.2480 61DOPE H12A 7746 5.334 2.675 6.461 0.3037 1.9200 1.0647 61DOPE H12B 7747 5.164 2.721 6.522 -0.4029 -0.7538 -0.4197 61DOPE C11 7748 5.204 2.505 6.521 -0.0536 0.0217 0.6756 61DOPE H11A 7749 5.192 2.483 6.413 0.7003 -0.4762 0.6861 61DOPE H11B 7750 5.102 2.488 6.561 -0.3149 0.2032 0.0994 61DOPE P 7751 5.278 2.263 6.563 -0.3853 -0.0585 -0.0828 61DOPE O13 7752 5.245 2.205 6.695 -0.0612 0.2343 0.1267 61DOPE O14 7753 5.395 2.207 6.492 -0.1366 -0.2505 0.4773 61DOPE O11 7754 5.149 2.255 6.468 -0.2944 -0.2605 -0.1908 61DOPE O12 7755 5.299 2.420 6.585 0.3350 -0.1504 -0.1189 61DOPE C1 7756 5.117 2.147 6.381 0.3117 -0.4825 -0.1400 61DOPE HA 7757 5.009 2.129 6.363 -0.3916 2.7748 0.2959 61DOPE HB 7758 5.154 2.051 6.424 1.4657 0.9173 2.2064 61DOPE C2 7759 5.178 2.174 6.243 0.1367 -0.0554 -0.1362 61DOPE HS 7760 5.281 2.213 6.257 0.8650 -0.3380 -3.5792 61DOPE O21 7761 5.100 2.267 6.169 0.1919 -0.0106 -0.1387 61DOPE C21 7762 5.153 2.383 6.129 -0.3823 0.3762 0.1954 61DOPE O22 7763 5.263 2.425 6.164 -0.1504 0.1260 -0.2289 61DOPE C22 7764 5.055 2.450 6.034 -0.5614 0.1536 0.2237 61DOPE H2R 7765 5.014 2.549 6.064 -0.3637 0.2503 0.1756 61DOPE H2S 7766 4.965 2.385 6.021 -1.2134 0.3723 2.9271 61DOPE C3 7767 5.196 2.049 6.154 -0.1201 0.0064 -0.2772 61DOPE HX 7768 5.101 1.994 6.170 0.6080 -0.8553 1.3950 61DOPE HY 7769 5.277 1.985 6.196 -1.3350 0.1495 2.5133 61DOPE O31 7770 5.213 2.080 6.016 -0.0057 0.2642 -0.2052 61DOPE C31 7771 5.330 2.057 5.958 -0.0205 -0.1276 -0.0775 61DOPE O32 7772 5.430 2.023 6.019 0.0387 0.2168 0.0174 61DOPE C32 7773 5.316 2.071 5.807 0.1641 -0.2111 -0.1031 61DOPE H2X 7774 5.228 2.130 5.775 0.8067 0.1424 -1.2708 61DOPE H2Y 7775 5.400 2.136 5.773 -0.8656 0.8044 -0.7665 61DOPE C23 7776 5.122 2.473 5.899 -0.0747 -0.5694 0.3336 61DOPE H3R 7777 5.188 2.386 5.878 -0.3313 -0.9238 0.9806 61DOPE H3S 7778 5.182 2.566 5.893 -0.5714 -0.2087 0.8271 61DOPE C24 7779 5.011 2.487 5.794 0.6214 0.8856 -0.2380 61DOPE H4R 7780 4.967 2.587 5.808 0.4947 0.5130 2.4800 61DOPE H4S 7781 4.935 2.407 5.812 -1.1357 2.1354 -1.7741 61DOPE C25 7782 5.069 2.465 5.654 0.2753 0.1300 -0.2717 61DOPE H5R 7783 5.084 2.358 5.631 1.6206 0.5089 -1.3129 61DOPE H5S 7784 5.167 2.516 5.638 0.0150 0.4575 -0.8610 61DOPE C26 7785 4.963 2.518 5.558 -0.0940 0.1266 0.1324 61DOPE H6R 7786 4.975 2.627 5.539 2.9234 0.1649 1.8056 61DOPE H6S 7787 4.862 2.506 5.605 0.2511 -0.5627 0.7126 61DOPE C27 7788 4.973 2.449 5.422 0.3829 0.2315 0.1156 61DOPE H7R 7789 4.946 2.343 5.438 1.4175 -0.2618 -1.1965 61DOPE H7S 7790 5.073 2.445 5.373 -0.0582 1.1659 -0.9045 61DOPE C28 7791 4.877 2.504 5.316 -0.2138 -0.3961 0.3301 61DOPE H8R 7792 4.887 2.614 5.309 0.8553 -0.5270 -0.4034 61DOPE H8S 7793 4.771 2.487 5.346 -0.2117 0.4056 0.8169 61DOPE C29 7794 4.901 2.429 5.188 0.1018 0.3578 -0.0597 61DOPE H9R 7795 4.913 2.321 5.207 0.5179 0.4175 0.0279 61DOPE C210 7796 4.933 2.478 5.068 0.1646 0.4400 -0.0091 61DOPE H10R 7797 4.970 2.404 4.996 0.4262 1.9282 -1.4603 61DOPE C211 7798 4.923 2.621 5.021 0.4129 0.3412 -0.3673 61DOPE H11R 7799 4.988 2.661 4.941 -1.9792 2.5088 -1.3754 61DOPE H11S 7800 4.937 2.691 5.106 -0.4016 -1.7667 1.6304 61DOPE C212 7801 4.779 2.651 4.978 0.3868 0.4065 -0.2335 61DOPE H12R 7802 4.718 2.596 5.053 0.2202 1.0002 0.0753 61DOPE H12S 7803 4.764 2.612 4.875 2.0989 2.1753 -1.2167 61DOPE C213 7804 4.744 2.800 4.979 0.0649 0.3309 0.1757 61DOPE H13R 7805 4.826 2.852 4.925 -0.1865 1.8245 1.1884 61DOPE H13S 7806 4.746 2.845 5.080 -1.6883 -0.9378 0.8308 61DOPE C214 7807 4.604 2.835 4.929 -0.0129 -0.4582 -0.1721 61DOPE H14R 7808 4.532 2.800 5.006 -1.2839 -0.2543 -1.2181 61DOPE H14S 7809 4.586 2.776 4.836 -0.2499 1.8346 -1.6473 61DOPE C215 7810 4.593 2.985 4.904 0.4675 -0.3269 0.3920 61DOPE H15R 7811 4.653 3.036 4.982 -0.2885 1.1022 0.0728 61DOPE H15S 7812 4.487 3.019 4.904 0.1101 -1.3807 -1.0616 61DOPE C216 7813 4.668 3.017 4.775 -0.1533 -0.0654 0.0932 61DOPE H16R 7814 4.771 2.978 4.767 -1.2128 -3.2363 0.6181 61DOPE H16S 7815 4.673 3.128 4.780 0.6018 -0.1285 0.8247 61DOPE C217 7816 4.591 2.989 4.645 -0.6454 0.2581 0.3119 61DOPE H17R 7817 4.570 2.880 4.635 1.6583 -0.1887 -0.1158 61DOPE H17S 7818 4.652 3.015 4.557 0.8288 -2.2855 0.4808 61DOPE C218 7819 4.456 3.060 4.648 -0.5477 0.4906 -0.7139 61DOPE H18R 7820 4.378 3.014 4.712 -2.7964 1.3637 -2.6621 61DOPE H18S 7821 4.417 3.050 4.544 1.1866 -2.1039 -1.2052 61DOPE H18T 7822 4.461 3.170 4.661 -1.1986 0.4781 -0.2800 61DOPE C33 7823 5.334 1.942 5.727 0.4595 0.0702 -0.4935 61DOPE H3X 7824 5.247 1.879 5.755 0.7130 -0.2652 -0.4565 61DOPE H3Y 7825 5.433 1.906 5.761 0.5116 -0.5858 -1.2801 61DOPE C34 7826 5.335 1.968 5.576 -0.1944 -0.2719 -0.5610 61DOPE H4X 7827 5.406 2.052 5.560 1.7825 -1.9884 -1.2211 61DOPE H4Y 7828 5.382 1.876 5.535 3.1893 1.4171 -0.7994 61DOPE C35 7829 5.197 1.985 5.512 -0.1637 0.0390 -0.5456 61DOPE H5X 7830 5.139 1.895 5.539 1.3526 -0.1406 2.4693 61DOPE H5Y 7831 5.146 2.068 5.565 0.2940 -1.7729 3.0035 61DOPE C36 7832 5.198 2.006 5.360 0.3458 -0.5158 -0.6237 61DOPE H6X 7833 5.289 1.952 5.326 1.2747 -0.9807 2.3327 61DOPE H6Y 7834 5.105 1.958 5.324 0.0314 -0.0525 -0.4376 61DOPE C37 7835 5.204 2.155 5.325 -0.4652 -0.2794 0.2077 61DOPE H7X 7836 5.111 2.205 5.360 -0.2595 -0.4167 0.9582 61DOPE H7Y 7837 5.294 2.188 5.380 -0.5760 0.7548 -0.1971 61DOPE C38 7838 5.227 2.185 5.176 -0.0418 -0.8026 0.1646 61DOPE H8X 7839 5.143 2.150 5.112 -0.5778 1.9463 -0.7770 61DOPE H8Y 7840 5.226 2.296 5.179 -0.2001 -0.7732 -0.7043 61DOPE C39 7841 5.360 2.135 5.129 0.2050 -0.0543 0.0511 61DOPE H9X 7842 5.438 2.120 5.205 1.5937 -1.4511 -1.5586 61DOPE C310 7843 5.384 2.100 5.001 -0.0827 0.1103 -0.0496 61DOPE H10X 7844 5.488 2.073 4.977 0.5913 1.7998 0.7679 61DOPE C311 7845 5.288 2.100 4.886 0.1620 -0.0476 -0.2560 61DOPE H11X 7846 5.302 2.013 4.819 -0.5447 -0.1230 -0.3139 61DOPE H11Y 7847 5.181 2.090 4.916 0.2274 -0.0320 -0.0171 61DOPE C312 7848 5.310 2.226 4.803 0.3340 -0.2705 -0.5489 61DOPE H12X 7849 5.414 2.229 4.763 0.5535 1.3412 0.0687 61DOPE H12Y 7850 5.313 2.307 4.879 2.9500 -0.7929 -0.0236 61DOPE C313 7851 5.202 2.257 4.699 0.2101 0.0599 -0.3255 61DOPE H13X 7852 5.229 2.354 4.654 -0.6395 -0.3308 -1.7847 61DOPE H13Y 7853 5.196 2.182 4.616 -3.5148 0.1252 -0.3107 61DOPE C314 7854 5.062 2.272 4.760 0.2465 -0.1955 -0.1787 61DOPE H14X 7855 5.053 2.352 4.837 -1.2782 0.0735 -0.6025 61DOPE H14Y 7856 5.027 2.178 4.809 1.2233 0.4379 1.8699 61DOPE C315 7857 4.963 2.304 4.648 -0.0212 0.4781 0.2442 61DOPE H15X 7858 4.936 2.206 4.604 3.6982 -0.3989 -0.4018 61DOPE H15Y 7859 5.022 2.362 4.574 0.5370 -2.1964 -1.5415 61DOPE C316 7860 4.837 2.378 4.691 -0.5732 -0.1550 -0.2630 61DOPE H16X 7861 4.877 2.467 4.744 0.5945 0.2746 -1.8225 61DOPE H16Y 7862 4.783 2.313 4.763 -1.4975 1.5640 0.6846 61DOPE C317 7863 4.745 2.410 4.572 0.3178 0.5762 -0.7656 61DOPE H17X 7864 4.795 2.490 4.513 -0.6484 -0.1403 -2.6264 61DOPE H17Y 7865 4.744 2.321 4.506 -2.0056 1.1025 -1.5336 61DOPE C318 7866 4.601 2.441 4.612 0.5880 0.6563 0.1722 61DOPE H18X 7867 4.552 2.358 4.667 1.4048 0.3672 0.4767 61DOPE H18Y 7868 4.594 2.535 4.671 -0.3093 0.6880 0.0303 61DOPE H18Z 7869 4.557 2.449 4.511 1.1473 -2.5108 -0.4224 62DOPE N 7870 4.036 5.866 6.473 0.2382 -0.0206 -0.0057 62DOPE HN1 7871 3.979 5.884 6.559 0.9876 -1.9895 0.9745 62DOPE HN2 7872 3.991 5.908 6.389 2.2786 1.1453 -0.5671 62DOPE HN3 7873 4.044 5.763 6.468 -1.5142 -0.2348 0.7770 62DOPE C12 7874 4.177 5.918 6.489 0.1308 0.1379 0.4382 62DOPE H12A 7875 4.232 5.853 6.418 -2.0766 -0.0744 -1.1877 62DOPE H12B 7876 4.208 5.900 6.594 1.8377 -1.9471 -0.3655 62DOPE C11 7877 4.205 6.063 6.449 0.5010 -0.1548 -0.3682 62DOPE H11A 7878 4.316 6.064 6.442 0.6471 0.3905 1.4746 62DOPE H11B 7879 4.166 6.129 6.529 0.7816 -1.8797 1.2669 62DOPE P 7880 4.185 6.237 6.268 0.1955 -0.2663 0.4987 62DOPE O13 7881 4.327 6.251 6.229 -0.0193 0.5327 -0.0133 62DOPE O14 7882 4.143 6.336 6.370 0.1073 -0.0734 0.2766 62DOPE O11 7883 4.093 6.257 6.139 0.2253 0.3776 0.5765 62DOPE O12 7884 4.150 6.089 6.320 -0.2849 -0.3555 -0.0782 62DOPE C1 7885 4.074 6.138 6.063 0.7800 0.4523 0.3195 62DOPE HA 7886 3.970 6.144 6.025 1.3977 1.2591 -1.3673 62DOPE HB 7887 4.072 6.042 6.119 -1.4318 0.7598 0.8592 62DOPE C2 7888 4.176 6.134 5.947 0.3267 0.5218 -0.0873 62DOPE HS 7889 4.267 6.081 5.984 -1.2324 -1.7011 0.8058 62DOPE O21 7890 4.201 6.264 5.893 -0.2301 0.5772 -0.2230 62DOPE C21 7891 4.330 6.285 5.865 -0.0361 -0.0483 0.1781 62DOPE O22 7892 4.420 6.209 5.898 0.5827 0.6101 0.0404 62DOPE C22 7893 4.344 6.408 5.777 -0.1620 0.0890 0.3503 62DOPE H2R 7894 4.444 6.451 5.802 -0.9067 1.1136 1.7214 62DOPE H2S 7895 4.264 6.484 5.785 2.3229 2.7999 1.4091 62DOPE C3 7896 4.132 6.040 5.834 0.4264 0.2557 0.0927 62DOPE HX 7897 4.040 6.075 5.783 1.4464 -0.1966 -2.1779 62DOPE HY 7898 4.095 5.951 5.890 -1.4541 1.6780 1.2305 62DOPE O31 7899 4.227 6.000 5.735 0.0261 0.1371 -0.2432 62DOPE C31 7900 4.281 5.879 5.747 -0.1343 0.0868 0.0155 62DOPE O32 7901 4.261 5.789 5.827 0.3930 -0.0439 0.0074 62DOPE C32 7902 4.391 5.871 5.641 -0.2699 -0.1493 -0.1068 62DOPE H2X 7903 4.427 5.974 5.623 1.1722 -0.4966 0.6456 62DOPE H2Y 7904 4.481 5.826 5.689 0.4756 1.7310 0.3174 62DOPE C23 7905 4.351 6.373 5.629 0.2376 0.0756 0.3701 62DOPE H3R 7906 4.425 6.293 5.609 0.4364 0.1585 0.7785 62DOPE H3S 7907 4.383 6.468 5.581 -1.1968 1.2383 1.6201 62DOPE C24 7908 4.211 6.341 5.575 0.3892 -0.1301 0.0927 62DOPE H4R 7909 4.165 6.441 5.592 2.0684 0.3349 2.3275 62DOPE H4S 7910 4.162 6.255 5.625 -0.3069 0.9982 1.4266 62DOPE C25 7911 4.202 6.313 5.425 0.4394 -0.2545 0.1134 62DOPE H5R 7912 4.217 6.409 5.371 -0.6196 -0.0799 0.0992 62DOPE H5S 7913 4.103 6.273 5.395 0.6511 -1.6169 1.1306 62DOPE C26 7914 4.309 6.228 5.357 0.4846 0.0008 -0.1371 62DOPE H6R 7915 4.289 6.122 5.383 -1.9797 0.4402 -0.0105 62DOPE H6S 7916 4.409 6.261 5.392 1.4858 -1.9656 -0.9865 62DOPE C27 7917 4.318 6.249 5.206 0.3597 -0.2452 -0.1795 62DOPE H7R 7918 4.409 6.196 5.173 0.2020 0.2849 -1.5303 62DOPE H7S 7919 4.333 6.358 5.188 -1.5113 0.0315 -0.2992 62DOPE C28 7920 4.192 6.204 5.132 0.3269 -0.6054 0.0947 62DOPE H8R 7921 4.100 6.250 5.172 2.0283 1.6335 1.6275 62DOPE H8S 7922 4.172 6.095 5.139 0.8331 -0.8253 -1.4638 62DOPE C29 7923 4.202 6.225 4.983 0.1815 0.0885 0.1825 62DOPE H9R 7924 4.284 6.178 4.927 0.6934 -0.2711 1.2014 62DOPE C210 7925 4.136 6.321 4.917 0.4116 0.0174 -0.1529 62DOPE H10R 7926 4.167 6.337 4.813 0.4190 -0.6479 -0.2607 62DOPE C211 7927 4.032 6.419 4.961 0.2764 -0.0215 -0.3842 62DOPE H11R 7928 4.077 6.520 4.969 2.4059 -0.7691 -2.0549 62DOPE H11S 7929 3.990 6.396 5.061 1.9787 0.9396 0.6040 62DOPE C212 7930 3.921 6.449 4.860 0.1991 0.0157 -0.2889 62DOPE H12R 7931 3.860 6.356 4.857 1.5694 -0.9096 -0.1544 62DOPE H12S 7932 3.956 6.454 4.755 0.5486 -1.3412 -0.2476 62DOPE C213 7933 3.837 6.566 4.913 -0.0356 -0.0390 -0.5374 62DOPE H13R 7934 3.881 6.665 4.886 3.7360 -1.4092 -0.0432 62DOPE H13S 7935 3.821 6.553 5.022 3.8252 1.4973 0.3873 62DOPE C214 7936 3.692 6.553 4.866 -0.3585 -0.0396 0.4570 62DOPE H14R 7937 3.643 6.642 4.913 1.2525 0.3850 1.4031 62DOPE H14S 7938 3.653 6.462 4.915 1.3291 -0.6286 0.7571 62DOPE C215 7939 3.680 6.561 4.714 0.4760 -0.0223 0.3863 62DOPE H15R 7940 3.571 6.570 4.692 0.4420 -1.4230 -0.1094 62DOPE H15S 7941 3.732 6.481 4.657 0.7439 0.4216 -0.0036 62DOPE C216 7942 3.727 6.699 4.666 0.3762 -0.1083 0.0385 62DOPE H16R 7943 3.820 6.684 4.606 -0.1734 1.6057 -1.2924 62DOPE H16S 7944 3.749 6.758 4.757 1.0110 1.1075 -0.8788 62DOPE C217 7945 3.625 6.770 4.578 0.0887 -0.2263 0.2750 62DOPE H17R 7946 3.533 6.781 4.640 0.6975 -0.1695 1.1869 62DOPE H17S 7947 3.611 6.711 4.485 0.0242 0.5221 -0.2032 62DOPE C218 7948 3.657 6.909 4.524 0.1177 -0.3758 -0.0927 62DOPE H18R 7949 3.706 6.982 4.592 0.1594 0.4456 -0.9774 62DOPE H18S 7950 3.571 6.965 4.479 -1.0033 -0.9334 1.2977 62DOPE H18T 7951 3.730 6.884 4.444 0.2801 -3.6031 0.9544 62DOPE C33 7952 4.352 5.789 5.517 -0.0007 0.0600 -0.3303 62DOPE H3X 7953 4.250 5.824 5.492 -0.8083 0.7174 3.2372 62DOPE H3Y 7954 4.348 5.682 5.545 3.1490 -0.3346 -1.0320 62DOPE C34 7955 4.447 5.807 5.399 -0.0462 -0.4087 -0.4382 62DOPE H4X 7956 4.488 5.910 5.396 -0.3405 -0.2805 -0.0387 62DOPE H4Y 7957 4.526 5.730 5.404 0.6494 0.3689 1.0265 62DOPE C35 7958 4.367 5.788 5.269 -0.2532 0.0974 -0.3871 62DOPE H5X 7959 4.317 5.886 5.251 -0.4235 -0.1259 -1.1560 62DOPE H5Y 7960 4.284 5.714 5.272 0.3440 -0.5650 0.4345 62DOPE C36 7961 4.466 5.769 5.154 -0.0061 0.1648 -0.1864 62DOPE H6X 7962 4.549 5.843 5.163 -0.4255 0.5028 1.1891 62DOPE H6Y 7963 4.501 5.664 5.153 0.3083 0.2595 0.5420 62DOPE C37 7964 4.401 5.794 5.018 0.0304 -0.0708 -0.2471 62DOPE H7X 7965 4.347 5.891 5.014 -1.8957 -1.1093 -0.6914 62DOPE H7Y 7966 4.486 5.803 4.947 1.2209 1.1840 1.2723 62DOPE C38 7967 4.307 5.684 4.970 -0.6695 0.3283 0.1980 62DOPE H8X 7968 4.236 5.657 5.051 -0.6092 -0.0672 0.1260 62DOPE H8Y 7969 4.250 5.725 4.884 0.2431 1.2380 0.0116 62DOPE C39 7970 4.373 5.558 4.921 0.4256 1.0644 -0.2476 62DOPE H9X 7971 4.432 5.515 5.004 1.2988 0.0441 -1.3678 62DOPE C310 7972 4.364 5.496 4.803 0.3251 -0.0350 0.3218 62DOPE H10X 7973 4.417 5.399 4.796 2.7524 1.2174 0.1067 62DOPE C311 7974 4.308 5.546 4.673 0.0702 -0.3156 0.3232 62DOPE H11X 7975 4.218 5.488 4.646 -0.1021 -0.2446 0.7426 62DOPE H11Y 7976 4.270 5.648 4.691 -0.4802 -0.6452 1.0729 62DOPE C312 7977 4.420 5.556 4.569 -0.3134 -0.4631 -0.1088 62DOPE H12X 7978 4.463 5.455 4.552 0.8400 0.1386 -0.9426 62DOPE H12Y 7979 4.499 5.623 4.610 -2.4929 2.7379 -0.7665 62DOPE C313 7980 4.375 5.609 4.433 0.1096 0.4594 0.1004 62DOPE H13X 7981 4.473 5.647 4.395 0.1591 2.4236 2.0603 62DOPE H13Y 7982 4.343 5.524 4.369 0.3216 0.6112 -0.2128 62DOPE C314 7983 4.268 5.718 4.423 0.0777 0.4309 0.1349 62DOPE H14X 7984 4.302 5.797 4.492 0.3641 0.5500 -0.1406 62DOPE H14Y 7985 4.171 5.684 4.465 -0.3614 1.3611 -0.0955 62DOPE C315 7986 4.246 5.769 4.280 0.1591 -0.3089 -0.1471 62DOPE H15X 7987 4.173 5.852 4.293 1.0065 0.5514 -0.7422 62DOPE H15Y 7988 4.343 5.810 4.246 -0.4528 1.0543 -0.2955 62DOPE C316 7989 4.187 5.671 4.178 -0.6137 0.0869 -0.0864 62DOPE H16X 7990 4.251 5.580 4.175 -1.1384 -0.4174 2.0923 62DOPE H16Y 7991 4.089 5.635 4.215 -1.3347 2.4108 0.4147 62DOPE C317 7992 4.180 5.730 4.037 0.0781 -0.2226 -0.2552 62DOPE H17X 7993 4.288 5.745 4.018 0.1956 -0.3114 0.3453 62DOPE H17Y 7994 4.113 5.818 4.037 -1.7123 -1.4710 2.3512 62DOPE C318 7995 4.116 5.629 3.940 -0.1435 -0.6388 0.3183 62DOPE H18X 7996 4.131 5.669 3.838 1.2236 0.9140 1.0623 62DOPE H18Y 7997 4.161 5.529 3.953 1.2140 -0.1444 -0.4162 62DOPE H18Z 7998 4.007 5.621 3.958 -0.1769 -1.0021 -0.0482 63DOPE N 7999 0.664 0.798 6.727 -0.0316 -0.0840 -0.8122 63DOPE HN1 8000 0.561 0.795 6.716 -0.1041 2.7514 -1.5638 63DOPE HN2 8001 0.711 0.779 6.637 1.1248 -0.2998 -0.1809 63DOPE HN3 8002 0.693 0.723 6.793 1.1619 0.0453 -1.1606 63DOPE C12 8003 0.709 0.933 6.776 -0.0450 -0.4208 0.1548 63DOPE H12A 8004 0.819 0.933 6.760 0.1988 3.4206 0.8296 63DOPE H12B 8005 0.681 0.939 6.884 1.3121 0.9048 0.4789 63DOPE C11 8006 0.654 1.053 6.699 0.4260 -0.4026 -0.1598 63DOPE H11A 8007 0.706 1.148 6.723 -0.8879 0.3349 -0.1131 63DOPE H11B 8008 0.550 1.069 6.735 0.7305 -2.2843 1.7588 63DOPE P 8009 0.595 1.151 6.478 0.1545 0.0288 -0.0527 63DOPE O13 8010 0.673 1.271 6.515 -0.0072 0.0714 0.1520 63DOPE O14 8011 0.451 1.165 6.508 0.1375 -0.2158 -0.0141 63DOPE O11 8012 0.620 1.117 6.323 0.0235 0.4997 -0.1777 63DOPE O12 8013 0.659 1.028 6.558 0.1041 -0.1111 -0.2245 63DOPE C1 8014 0.747 1.070 6.277 -0.3546 -0.1567 -0.5663 63DOPE HA 8015 0.737 1.015 6.182 -0.2687 0.9967 -1.2590 63DOPE HB 8016 0.789 0.992 6.344 -2.2336 -0.6015 0.1526 63DOPE C2 8017 0.860 1.175 6.265 -0.4036 -0.0314 -0.0026 63DOPE HS 8018 0.894 1.207 6.365 0.0446 2.6912 -0.9598 63DOPE O21 8019 0.805 1.291 6.201 -0.2837 0.0818 0.1013 63DOPE C21 8020 0.883 1.396 6.226 -0.1687 0.0098 0.0460 63DOPE O22 8021 0.992 1.392 6.280 -0.1592 -0.0301 0.0238 63DOPE C22 8022 0.807 1.521 6.185 -0.2864 -0.1440 -0.2096 63DOPE H2R 8023 0.844 1.607 6.246 0.8613 -0.9776 0.2996 63DOPE H2S 8024 0.703 1.501 6.219 -1.1925 -0.3245 -2.8518 63DOPE C3 8025 0.979 1.111 6.192 -0.2372 0.2059 0.0632 63DOPE HX 8026 0.996 1.014 6.243 -1.4460 0.6820 1.4288 63DOPE HY 8027 1.064 1.184 6.193 -0.3151 0.5084 -3.2685 63DOPE O31 8028 0.934 1.076 6.061 -0.1269 -0.5524 0.2218 63DOPE C31 8029 1.034 1.013 6.000 0.1544 0.1919 -0.1088 63DOPE O32 8030 1.146 0.996 6.046 0.2962 -0.4382 -0.6700 63DOPE C32 8031 0.984 0.960 5.866 -0.6935 -0.0512 0.3000 63DOPE H2X 8032 0.874 0.948 5.873 -0.6273 -0.1131 1.4636 63DOPE H2Y 8033 1.013 1.042 5.797 0.7126 -1.7543 -1.2352 63DOPE C23 8034 0.810 1.534 6.033 0.2114 -0.5976 -0.2389 63DOPE H3R 8035 0.912 1.511 5.995 0.9622 0.9730 0.7328 63DOPE H3S 8036 0.805 1.640 6.002 -1.9631 -1.0977 -1.8155 63DOPE C24 8037 0.698 1.454 5.965 -0.0946 -0.1400 -0.2754 63DOPE H4R 8038 0.605 1.498 6.006 0.5083 0.4504 0.5047 63DOPE H4S 8039 0.707 1.346 5.989 -2.5540 -0.2797 0.2619 63DOPE C25 8040 0.680 1.465 5.813 0.2884 0.5777 -0.2755 63DOPE H5R 8041 0.592 1.400 5.794 0.8236 -0.1798 -0.2124 63DOPE H5S 8042 0.768 1.434 5.753 0.9510 0.0720 0.9232 63DOPE C26 8043 0.664 1.609 5.764 -0.5015 0.4884 -0.2830 63DOPE H6R 8044 0.764 1.657 5.763 -0.1638 -0.1872 0.1468 63DOPE H6S 8045 0.605 1.665 5.841 -2.5590 -2.4192 0.4304 63DOPE C27 8046 0.587 1.617 5.632 0.3500 -0.4950 -0.8479 63DOPE H7R 8047 0.487 1.571 5.647 0.4242 -1.6519 -3.4214 63DOPE H7S 8048 0.647 1.549 5.568 2.2358 -0.5086 0.8179 63DOPE C28 8049 0.564 1.756 5.574 0.2238 -0.1058 0.1130 63DOPE H8R 8050 0.657 1.813 5.593 0.5139 -0.8713 1.0732 63DOPE H8S 8051 0.479 1.811 5.621 -0.1906 0.4105 -1.1786 63DOPE C29 8052 0.561 1.749 5.424 0.7986 0.0959 0.0903 63DOPE H9R 8053 0.461 1.731 5.381 0.0757 2.1129 0.7946 63DOPE C210 8054 0.663 1.750 5.337 0.0409 0.1663 -0.8210 63DOPE H10R 8055 0.642 1.754 5.229 -0.8201 -1.7000 -0.7507 63DOPE C211 8056 0.809 1.752 5.376 -0.1353 -0.2881 -0.1246 63DOPE H11R 8057 0.823 1.730 5.484 1.7265 1.3412 0.0105 63DOPE H11S 8058 0.850 1.854 5.362 -0.5150 0.1317 1.6032 63DOPE C212 8059 0.888 1.642 5.304 0.2418 -0.3756 0.4216 63DOPE H12R 8060 0.875 1.545 5.357 1.2920 0.6046 2.6271 63DOPE H12S 8061 0.995 1.672 5.315 0.3829 -1.2571 1.6646 63DOPE C213 8062 0.863 1.627 5.154 0.1548 0.2272 0.3700 63DOPE H13R 8063 0.760 1.592 5.132 0.0789 -0.0235 1.0786 63DOPE H13S 8064 0.925 1.536 5.137 1.7897 1.2444 0.6738 63DOPE C214 8065 0.913 1.737 5.061 0.5765 -0.1300 0.1732 63DOPE H14R 8066 0.877 1.838 5.091 2.5903 0.6762 0.0410 63DOPE H14S 8067 1.023 1.736 5.074 0.3683 0.4901 2.2930 63DOPE C215 8068 0.882 1.700 4.915 0.6743 0.0215 0.1136 63DOPE H15R 8069 0.777 1.731 4.898 0.4387 -0.5947 0.4074 63DOPE H15S 8070 0.898 1.591 4.904 -1.5225 -0.3188 -0.0745 63DOPE C216 8071 0.978 1.766 4.816 0.0751 0.6223 -0.0797 63DOPE H16R 8072 1.084 1.747 4.843 0.1755 0.7661 -0.3645 63DOPE H16S 8073 0.961 1.875 4.811 -1.2804 0.4491 0.3427 63DOPE C217 8074 0.970 1.699 4.678 -0.2598 0.2675 0.1090 63DOPE H17R 8075 0.863 1.696 4.651 -0.1098 0.7650 -0.5615 63DOPE H17S 8076 1.003 1.593 4.679 0.6635 0.4751 -2.2625 63DOPE C218 8077 1.049 1.774 4.570 0.2438 0.0823 0.3432 63DOPE H18R 8078 1.049 1.704 4.484 -0.0550 1.4558 -0.8102 63DOPE H18S 8079 1.155 1.793 4.598 0.2280 -0.3179 0.6863 63DOPE H18T 8080 1.005 1.871 4.538 0.4724 0.5411 1.3824 63DOPE C33 8081 1.051 0.829 5.824 0.0324 0.2812 0.4193 63DOPE H3X 8082 1.035 0.759 5.909 0.5113 -0.1228 0.1843 63DOPE H3Y 8083 1.161 0.843 5.809 -0.3343 1.2101 -1.7030 63DOPE C34 8084 0.976 0.782 5.700 -0.2689 0.2267 0.6207 63DOPE H4X 8085 0.999 0.677 5.671 -0.3760 0.1696 0.7438 63DOPE H4Y 8086 0.869 0.800 5.721 -0.4080 -0.4433 0.5102 63DOPE C35 8087 1.025 0.859 5.577 -0.3810 -0.2251 0.2893 63DOPE H5X 8088 1.134 0.839 5.577 -0.1942 0.6457 1.9016 63DOPE H5Y 8089 1.008 0.966 5.601 -2.4168 -0.7299 1.3149 63DOPE C36 8090 0.944 0.826 5.452 -0.0283 -0.4233 0.1113 63DOPE H6X 8091 0.986 0.885 5.368 0.5165 -0.3637 0.4255 63DOPE H6Y 8092 0.841 0.864 5.471 -0.4050 -0.9734 -0.7346 63DOPE C37 8093 0.934 0.683 5.396 -0.3139 -0.3949 0.0868 63DOPE H7X 8094 1.039 0.657 5.372 0.6658 1.3636 2.0789 63DOPE H7Y 8095 0.867 0.624 5.463 1.2236 -2.0283 0.2430 63DOPE C38 8096 0.863 0.680 5.261 0.3039 -0.0869 -0.2483 63DOPE H8X 8097 0.897 0.766 5.200 -0.8317 -0.8917 -2.1108 63DOPE H8Y 8098 0.754 0.691 5.276 0.3729 0.6753 -0.2637 63DOPE C39 8099 0.885 0.548 5.192 0.1284 -0.6065 0.6629 63DOPE H9X 8100 0.815 0.474 5.232 0.9367 -0.9435 1.4845 63DOPE C310 8101 0.963 0.523 5.085 0.3640 0.1200 0.6570 63DOPE H10X 8102 0.987 0.421 5.054 1.2734 0.3327 0.6396 63DOPE C311 8103 1.047 0.622 5.009 -0.2282 -0.2881 -0.5572 63DOPE H11X 8104 0.987 0.716 5.010 -1.3653 -0.9792 -1.6790 63DOPE H11Y 8105 1.134 0.641 5.075 -0.2763 0.0152 -0.5802 63DOPE C312 8106 1.089 0.573 4.871 0.2087 0.3542 -0.6575 63DOPE H12X 8107 1.112 0.466 4.852 1.5600 0.8852 -2.3135 63DOPE H12Y 8108 1.183 0.622 4.839 0.1996 0.4812 -0.4935 63DOPE C313 8109 0.981 0.603 4.767 -0.2901 -0.4228 -0.3787 63DOPE H13X 8110 0.886 0.552 4.790 -0.0370 -1.0708 -0.7501 63DOPE H13Y 8111 0.973 0.712 4.787 -0.3889 -0.6258 0.7506 63DOPE C314 8112 1.034 0.586 4.624 0.0998 0.1986 -0.3132 63DOPE H14X 8113 1.083 0.487 4.617 1.2141 0.5588 1.5756 63DOPE H14Y 8114 1.113 0.662 4.607 0.3160 0.7247 2.5986 63DOPE C315 8115 0.922 0.602 4.521 -0.0588 -0.2569 -0.2136 63DOPE H15X 8116 0.856 0.685 4.555 -0.1216 -0.6197 0.5714 63DOPE H15Y 8117 0.869 0.505 4.525 1.4638 -1.1107 -0.0243 63DOPE C316 8118 0.982 0.627 4.382 0.0805 -0.6680 -0.2274 63DOPE H16X 8119 0.911 0.600 4.302 0.0267 0.6207 -0.6303 63DOPE H16Y 8120 1.076 0.569 4.369 -0.0107 -0.6051 -1.2210 63DOPE C317 8121 1.007 0.776 4.360 0.2614 -0.6761 -0.0818 63DOPE H17X 8122 1.058 0.798 4.457 -0.1909 -0.4138 0.1019 63DOPE H17Y 8123 0.911 0.832 4.364 1.0942 0.7458 2.0577 63DOPE C318 8124 1.096 0.814 4.242 0.2005 -0.7241 -0.1436 63DOPE H18X 8125 1.196 0.776 4.273 -0.1026 -0.3988 1.3256 63DOPE H18Y 8126 1.037 0.781 4.155 -1.2899 0.2948 0.4370 63DOPE H18Z 8127 1.107 0.925 4.239 2.1763 -0.8919 -0.6327 64DOPE N 8128 2.106 5.330 6.479 0.1431 -0.3118 -0.2537 64DOPE HN1 8129 2.046 5.414 6.472 -0.8178 -1.0037 -0.5599 64DOPE HN2 8130 2.199 5.363 6.449 0.4536 1.8492 2.6615 64DOPE HN3 8131 2.078 5.249 6.420 -0.5427 -0.5004 0.3067 64DOPE C12 8132 2.120 5.283 6.622 -0.3638 -0.7627 -0.3468 64DOPE H12A 8133 2.215 5.322 6.665 0.0162 -0.8025 -1.1457 64DOPE H12B 8134 2.135 5.173 6.622 1.8783 -0.5103 0.3364 64DOPE C11 8135 2.002 5.330 6.707 0.2045 0.5648 -0.2757 64DOPE H11A 8136 2.017 5.437 6.735 -2.3332 0.4158 2.1473 64DOPE H11B 8137 2.009 5.267 6.798 -0.8452 -2.2806 -2.0300 64DOPE P 8138 1.763 5.302 6.745 0.0013 0.1951 -0.0281 64DOPE O13 8139 1.734 5.434 6.805 0.2148 0.3036 -0.1615 64DOPE O14 8140 1.798 5.193 6.839 0.0394 0.2989 0.0781 64DOPE O11 8141 1.631 5.262 6.665 0.2143 0.0966 -0.3334 64DOPE O12 8142 1.879 5.316 6.636 0.0733 0.1049 0.0367 64DOPE C1 8143 1.632 5.137 6.596 -0.2067 -0.1336 0.0747 64DOPE HA 8144 1.564 5.062 6.642 0.3294 -0.0528 1.0261 64DOPE HB 8145 1.727 5.081 6.602 0.6367 1.0942 -1.3147 64DOPE C2 8146 1.598 5.147 6.446 -0.0525 -0.6981 -0.0003 64DOPE HS 8147 1.679 5.198 6.390 -0.4397 1.4040 1.2304 64DOPE O21 8148 1.500 5.250 6.428 0.0918 -0.6031 -0.2463 64DOPE C21 8149 1.372 5.215 6.447 -0.1524 0.4464 0.1063 64DOPE O22 8150 1.337 5.115 6.508 -0.5260 0.6380 0.2072 64DOPE C22 8151 1.270 5.309 6.385 -0.4025 0.1510 0.0751 64DOPE H2R 8152 1.304 5.414 6.393 -1.6720 0.5900 0.0522 64DOPE H2S 8153 1.175 5.298 6.442 -0.8577 -1.2718 -0.8821 64DOPE C3 8154 1.571 5.013 6.377 -0.1253 -0.6218 -0.1196 64DOPE HX 8155 1.512 4.945 6.443 0.6827 -1.2846 -0.0549 64DOPE HY 8156 1.665 4.960 6.352 -1.1061 -1.2460 -2.9207 64DOPE O31 8157 1.497 5.046 6.259 0.0791 0.1313 -0.0371 64DOPE C31 8158 1.547 4.995 6.146 0.3946 0.3068 0.0195 64DOPE O32 8159 1.642 4.919 6.139 -0.2140 -0.4744 -0.0399 64DOPE C32 8160 1.462 5.028 6.024 0.0208 0.0418 0.2035 64DOPE H2X 8161 1.374 4.961 6.020 -0.3146 0.4966 -0.1471 64DOPE H2Y 8162 1.422 5.130 6.042 -0.7322 -0.1774 -0.1636 64DOPE C23 8163 1.247 5.278 6.237 0.2180 0.0811 -0.0090 64DOPE H3R 8164 1.219 5.171 6.229 -2.6492 0.6557 0.9560 64DOPE H3S 8165 1.346 5.292 6.188 1.1863 -0.9811 1.5743 64DOPE C24 8166 1.134 5.363 6.178 0.0328 0.0238 0.2606 64DOPE H4R 8167 1.173 5.465 6.158 -1.5263 0.1663 -2.6210 64DOPE H4S 8168 1.048 5.369 6.248 0.5149 -1.0602 0.9657 64DOPE C25 8169 1.080 5.312 6.044 0.0920 0.1489 0.1882 64DOPE H5R 8170 0.980 5.357 6.023 -0.1552 -1.2291 -1.8434 64DOPE H5S 8171 1.053 5.204 6.052 -0.7854 0.3995 0.8457 64DOPE C26 8172 1.170 5.318 5.921 0.5728 -0.1022 0.5247 64DOPE H6R 8173 1.130 5.244 5.847 -0.4087 -0.3566 1.2856 64DOPE H6S 8174 1.271 5.285 5.952 0.4708 -1.0948 -0.1484 64DOPE C27 8175 1.173 5.456 5.856 -0.4859 -0.1956 0.2577 64DOPE H7R 8176 1.235 5.452 5.764 0.6269 1.7810 0.8612 64DOPE H7S 8177 1.224 5.527 5.924 1.2037 1.2093 -2.2934 64DOPE C28 8178 1.036 5.516 5.824 -0.0384 0.6524 -0.1049 64DOPE H8R 8179 1.050 5.608 5.763 0.6629 1.3998 1.1524 64DOPE H8S 8180 0.990 5.550 5.919 0.6691 0.3488 0.3584 64DOPE C29 8181 0.938 5.422 5.760 0.2731 0.1061 0.2125 64DOPE H9R 8182 0.912 5.339 5.828 -2.5191 2.0011 1.6563 64DOPE C210 8183 0.864 5.450 5.652 0.9188 0.1356 -0.2297 64DOPE H10R 8184 0.797 5.374 5.608 1.4184 -1.0788 1.0594 64DOPE C211 8185 0.875 5.569 5.561 0.5684 0.7624 0.5377 64DOPE H11R 8186 0.845 5.541 5.458 1.3323 1.1875 0.1897 64DOPE H11S 8187 0.977 5.613 5.554 1.0468 -0.4816 -1.3267 64DOPE C212 8188 0.771 5.671 5.607 -0.5245 -0.1831 0.2207 64DOPE H12R 8189 0.768 5.678 5.717 -1.1332 0.5648 0.1625 64DOPE H12S 8190 0.670 5.634 5.580 0.1934 -2.7743 0.8181 64DOPE C213 8191 0.786 5.817 5.564 0.5656 -0.3838 -0.1245 64DOPE H13R 8192 0.688 5.867 5.580 -0.4656 -1.5930 -2.2591 64DOPE H13S 8193 0.795 5.812 5.453 2.2328 -3.2071 0.0571 64DOPE C214 8194 0.894 5.910 5.620 0.0590 -0.1273 0.4356 64DOPE H14R 8195 0.986 5.869 5.575 0.7904 2.2378 -0.3514 64DOPE H14S 8196 0.888 5.903 5.731 0.3488 -1.5887 0.3742 64DOPE C215 8197 0.860 6.048 5.563 -0.0243 -0.3148 0.0229 64DOPE H15R 8198 0.755 6.076 5.590 0.3924 0.6128 0.7528 64DOPE H15S 8199 0.863 6.069 5.454 -0.1689 -0.0178 0.0742 64DOPE C216 8200 0.948 6.151 5.634 0.1591 -0.3338 -0.1767 64DOPE H16R 8201 1.052 6.112 5.636 1.0527 1.6767 -2.4156 64DOPE H16S 8202 0.916 6.168 5.739 1.0249 3.1502 -0.3623 64DOPE C217 8203 0.956 6.290 5.570 -0.2019 -0.1157 0.2502 64DOPE H17R 8204 1.003 6.360 5.642 0.1982 -0.2670 0.1362 64DOPE H17S 8205 0.849 6.317 5.552 0.5155 2.0553 -1.0826 64DOPE C218 8206 1.027 6.309 5.436 -0.5587 1.2492 0.2338 64DOPE H18R 8207 0.999 6.408 5.394 -0.5226 0.7766 -0.9460 64DOPE H18S 8208 1.009 6.225 5.365 -0.8373 0.9181 0.6897 64DOPE H18T 8209 1.136 6.314 5.455 -0.8207 -0.2821 2.6588 64DOPE C33 8210 1.527 5.024 5.886 -0.0528 0.0177 0.1699 64DOPE H3X 8211 1.635 5.050 5.887 0.2004 -0.9058 -0.7759 64DOPE H3Y 8212 1.518 4.916 5.859 0.3134 -0.0624 0.3677 64DOPE C34 8213 1.479 5.128 5.784 0.2782 0.2956 0.2978 64DOPE H4X 8214 1.559 5.142 5.709 0.6633 -1.9764 0.2109 64DOPE H4Y 8215 1.454 5.226 5.831 -0.3268 0.1715 0.2354 64DOPE C35 8216 1.352 5.081 5.713 0.1269 0.3225 0.5479 64DOPE H5X 8217 1.277 5.071 5.794 0.1247 -1.5411 0.3443 64DOPE H5Y 8218 1.364 4.983 5.663 -1.4554 -0.0670 0.8694 64DOPE C36 8219 1.308 5.171 5.597 0.3298 -0.1142 0.1271 64DOPE H6X 8220 1.290 5.275 5.632 -0.7064 -0.3770 0.4231 64DOPE H6Y 8221 1.395 5.183 5.530 0.4710 -0.2911 0.2790 64DOPE C37 8222 1.190 5.112 5.520 -0.0872 0.2971 0.4425 64DOPE H7X 8223 1.121 5.075 5.599 -3.2403 -1.6054 -2.8889 64DOPE H7Y 8224 1.214 5.014 5.473 0.1006 0.3931 0.3393 64DOPE C38 8225 1.110 5.204 5.428 0.2287 0.1336 0.0023 64DOPE H8X 8226 1.070 5.284 5.494 0.0533 1.3575 -1.5390 64DOPE H8Y 8227 1.180 5.234 5.348 0.5766 -0.3784 0.1057 64DOPE C39 8228 0.993 5.124 5.378 -0.2104 0.7672 -0.0030 64DOPE H9X 8229 0.904 5.112 5.441 -0.3794 0.4284 -0.3026 64DOPE C310 8230 0.991 5.063 5.258 0.2577 0.0135 0.3601 64DOPE H10X 8231 0.900 5.013 5.223 1.0000 -0.0659 -1.5464 64DOPE C311 8232 1.094 5.060 5.149 0.3191 -0.4346 0.4291 64DOPE H11X 8233 1.113 4.961 5.103 2.8587 -0.3480 1.1434 64DOPE H11Y 8234 1.187 5.106 5.188 0.0323 -0.8926 1.7073 64DOPE C312 8235 1.049 5.154 5.037 -0.3356 -0.4156 0.6985 64DOPE H12X 8236 1.015 5.254 5.071 -3.1982 -0.5761 -1.3454 64DOPE H12Y 8237 0.964 5.110 4.980 0.4559 -2.2003 0.8095 64DOPE C313 8238 1.166 5.179 4.941 -0.8280 -0.2833 0.1278 64DOPE H13X 8239 1.173 5.094 4.870 -0.3373 -1.4591 1.5505 64DOPE H13Y 8240 1.255 5.200 5.004 -0.2075 -2.7591 0.1626 64DOPE C314 8241 1.135 5.299 4.851 0.1325 -0.2361 -0.1564 64DOPE H14X 8242 1.038 5.283 4.799 0.2907 0.1091 -0.5618 64DOPE H14Y 8243 1.123 5.384 4.920 -2.6172 1.2760 -2.2429 64DOPE C315 8244 1.242 5.338 4.749 0.2464 0.8049 0.3533 64DOPE H15X 8245 1.287 5.245 4.707 2.3416 1.3369 1.2680 64DOPE H15Y 8246 1.326 5.390 4.802 0.8377 0.2067 0.0219 64DOPE C316 8247 1.190 5.432 4.641 0.0993 0.2679 -0.0474 64DOPE H16X 8248 1.088 5.397 4.614 0.5529 -1.4414 0.3520 64DOPE H16Y 8249 1.163 5.534 4.675 0.6334 1.0928 -1.9600 64DOPE C317 8250 1.270 5.451 4.511 -0.4955 0.3847 -0.3985 64DOPE H17X 8251 1.372 5.485 4.537 -1.2324 2.2053 0.3025 64DOPE H17Y 8252 1.288 5.352 4.464 1.7946 0.7016 -0.2944 64DOPE C318 8253 1.207 5.536 4.401 0.4449 0.0328 -1.2189 64DOPE H18X 8254 1.248 5.637 4.424 -0.7456 0.2681 -0.0080 64DOPE H18Y 8255 1.234 5.508 4.297 -0.0555 0.5202 -1.4879 64DOPE H18Z 8256 1.096 5.535 4.405 0.4726 -1.0111 -0.4641 65DOPE N 8257 2.264 5.266 2.062 0.2437 -0.1741 -0.7593 65DOPE HN1 8258 2.349 5.327 2.063 0.7874 -0.9148 0.0626 65DOPE HN2 8259 2.270 5.206 2.147 -1.3612 1.9931 1.0024 65DOPE HN3 8260 2.269 5.208 1.976 -1.6561 -1.6824 0.0645 65DOPE C12 8261 2.141 5.351 2.081 0.1681 -0.5087 0.3600 65DOPE H12A 8262 2.129 5.396 1.980 0.5639 0.1322 0.5935 65DOPE H12B 8263 2.157 5.433 2.154 -1.4224 -0.6049 0.8532 65DOPE C11 8264 2.015 5.271 2.116 -0.3311 -0.1462 -0.5673 65DOPE H11A 8265 2.004 5.201 2.031 3.5465 0.0065 -1.3875 65DOPE H11B 8266 1.926 5.338 2.119 0.3196 0.7064 1.2261 65DOPE P 8267 1.913 5.103 2.282 0.0031 -0.0239 -0.0838 65DOPE O13 8268 1.914 4.985 2.193 -0.5401 -0.2753 0.2357 65DOPE O14 8269 1.782 5.173 2.280 0.0642 0.0966 0.2108 65DOPE O11 8270 1.953 5.062 2.431 -0.7927 0.0240 0.1495 65DOPE O12 8271 2.030 5.204 2.241 -0.2839 0.1878 -0.3909 65DOPE C1 8272 1.873 4.953 2.477 -0.1298 -0.6823 -0.3423 65DOPE HA 8273 1.923 4.910 2.566 -0.8103 2.1732 1.5526 65DOPE HB 8274 1.860 4.871 2.403 1.2712 -2.6333 1.4564 65DOPE C2 8275 1.738 5.000 2.535 0.4729 0.1958 0.3629 65DOPE HS 8276 1.686 5.060 2.458 -0.3351 1.4279 1.8282 65DOPE O21 8277 1.777 5.084 2.644 0.0108 0.2385 0.4973 65DOPE C21 8278 1.679 5.152 2.703 -0.6068 -0.2823 0.0864 65DOPE O22 8279 1.563 5.164 2.666 -0.3315 0.5590 -0.5359 65DOPE C22 8280 1.741 5.221 2.824 -0.5568 -0.2064 0.0180 65DOPE H2R 8281 1.705 5.323 2.845 0.7676 -0.1154 2.2243 65DOPE H2S 8282 1.852 5.217 2.816 -0.3619 1.2007 1.5417 65DOPE C3 8283 1.665 4.877 2.592 0.1132 0.2124 -0.0614 65DOPE HX 8284 1.643 4.805 2.510 0.3665 1.7093 -1.5060 65DOPE HY 8285 1.566 4.900 2.636 0.3713 0.9161 0.1703 65DOPE O31 8286 1.735 4.827 2.705 -0.1255 -0.1514 -0.0734 65DOPE C31 8287 1.754 4.695 2.717 -0.1150 -0.1552 -0.1323 65DOPE O32 8288 1.712 4.611 2.639 0.0239 -0.2786 -0.0740 65DOPE C32 8289 1.827 4.664 2.847 -0.0299 -0.1803 -0.1863 65DOPE H2X 8290 1.864 4.559 2.847 1.1660 0.1662 -2.6191 65DOPE H2Y 8291 1.916 4.729 2.859 -0.6371 0.2001 3.6179 65DOPE C23 8292 1.705 5.136 2.946 0.2715 -0.6056 -0.0045 65DOPE H3R 8293 1.729 5.031 2.918 -1.7492 -1.4612 1.2320 65DOPE H3S 8294 1.595 5.138 2.962 0.5379 0.3473 2.0170 65DOPE C24 8295 1.772 5.186 3.074 -0.0538 0.5507 -0.2721 65DOPE H4R 8296 1.727 5.285 3.094 -1.7180 -0.3789 0.8297 65DOPE H4S 8297 1.883 5.186 3.065 0.0286 1.8388 0.5972 65DOPE C25 8298 1.732 5.097 3.192 0.3042 0.6535 -0.0719 65DOPE H5R 8299 1.734 4.992 3.158 -0.8510 0.2830 0.9371 65DOPE H5S 8300 1.627 5.124 3.216 -0.8379 -2.3810 -1.2377 65DOPE C26 8301 1.827 5.095 3.312 -0.3075 0.1937 0.4137 65DOPE H6R 8302 1.909 5.029 3.275 -0.8010 0.3788 -1.0972 65DOPE H6S 8303 1.772 5.046 3.395 -0.1416 0.8510 0.9241 65DOPE C27 8304 1.879 5.233 3.354 -0.0851 0.2255 0.0421 65DOPE H7R 8305 1.935 5.284 3.273 -2.0427 1.4777 -0.5688 65DOPE H7S 8306 1.950 5.206 3.436 -0.3709 0.0946 0.2472 65DOPE C28 8307 1.765 5.325 3.397 -0.2351 -0.1108 0.3683 65DOPE H8R 8308 1.697 5.269 3.466 0.7862 0.9021 2.2703 65DOPE H8S 8309 1.697 5.348 3.313 -0.2349 0.4592 0.5241 65DOPE C29 8310 1.811 5.456 3.453 -0.1788 0.1423 -0.2632 65DOPE H9R 8311 1.845 5.528 3.378 -0.0351 -0.9389 -1.2545 65DOPE C210 8312 1.801 5.485 3.584 -0.0944 0.0837 -0.2438 65DOPE H10R 8313 1.831 5.585 3.618 2.1794 -0.4298 -0.5607 65DOPE C211 8314 1.741 5.405 3.695 0.1084 -0.0115 -0.2030 65DOPE H11R 8315 1.708 5.303 3.666 0.2519 -0.7511 2.0132 65DOPE H11S 8316 1.653 5.457 3.739 -0.2035 0.0648 -0.9089 65DOPE C212 8317 1.850 5.381 3.800 0.1714 -0.4012 -0.3563 65DOPE H12R 8318 1.923 5.314 3.749 -0.7244 -1.5324 -0.1999 65DOPE H12S 8319 1.805 5.319 3.882 1.1373 0.7845 1.1191 65DOPE C213 8320 1.916 5.501 3.868 -0.6434 0.0738 -0.3961 65DOPE H13R 8321 1.964 5.548 3.779 -1.4669 -0.7074 -1.2716 65DOPE H13S 8322 1.993 5.471 3.942 2.2800 2.4130 -2.2465 65DOPE C214 8323 1.824 5.604 3.935 0.0584 0.2817 0.2587 65DOPE H14R 8324 1.751 5.641 3.861 -0.9838 -1.8980 0.1185 65DOPE H14S 8325 1.885 5.691 3.966 1.9114 0.0594 -2.4367 65DOPE C215 8326 1.738 5.551 4.050 0.1534 0.0775 0.2370 65DOPE H15R 8327 1.802 5.493 4.120 -0.2799 -1.7805 -0.8254 65DOPE H15S 8328 1.671 5.472 4.009 0.9529 -1.1681 1.2779 65DOPE C216 8329 1.660 5.667 4.112 0.2484 0.0873 0.3382 65DOPE H16R 8330 1.607 5.717 4.028 1.4751 -1.8449 -1.7045 65DOPE H16S 8331 1.741 5.731 4.151 1.6676 -2.1317 1.2436 65DOPE C217 8332 1.573 5.617 4.228 0.1809 0.2396 0.3537 65DOPE H17R 8333 1.634 5.538 4.276 -1.5968 -0.8653 0.9096 65DOPE H17S 8334 1.484 5.561 4.192 -0.5654 1.9685 -0.6217 65DOPE C218 8335 1.527 5.714 4.336 -0.2023 0.1161 0.3050 65DOPE H18R 8336 1.449 5.785 4.302 0.2720 -0.5889 -2.5200 65DOPE H18S 8337 1.606 5.779 4.379 0.8401 0.2945 -1.7633 65DOPE H18T 8338 1.486 5.653 4.419 0.6154 -2.9640 -1.4102 65DOPE C33 8339 1.727 4.675 2.962 0.1915 0.5965 -0.0679 65DOPE H3X 8340 1.625 4.672 2.919 1.3140 0.7974 -2.9509 65DOPE H3Y 8341 1.750 4.772 3.012 4.2551 0.4488 -1.2345 65DOPE C34 8342 1.740 4.555 3.056 -0.0158 0.1356 -0.6278 65DOPE H4X 8343 1.754 4.463 2.994 2.6193 0.6362 -0.9334 65DOPE H4Y 8344 1.832 4.563 3.119 -0.9314 0.2166 0.7378 65DOPE C35 8345 1.624 4.544 3.154 0.3180 0.2269 -0.2171 65DOPE H5X 8346 1.637 4.457 3.222 -1.5498 1.6722 2.1519 65DOPE H5Y 8347 1.534 4.517 3.094 -1.1134 3.0154 0.5059 65DOPE C36 8348 1.592 4.660 3.248 -0.3417 -0.1991 0.0969 65DOPE H6X 8349 1.557 4.752 3.198 0.9922 1.1615 1.5222 65DOPE H6Y 8350 1.520 4.621 3.323 0.2948 1.0996 1.4513 65DOPE C37 8351 1.715 4.690 3.334 -0.4226 -0.1727 0.2034 65DOPE H7X 8352 1.758 4.595 3.374 0.3479 -0.9584 -2.3448 65DOPE H7Y 8353 1.794 4.739 3.274 -1.6949 -0.6196 -1.9292 65DOPE C38 8354 1.689 4.783 3.453 0.1933 0.5844 -0.2431 65DOPE H8X 8355 1.634 4.874 3.420 1.1065 0.7342 -1.3942 65DOPE H8Y 8356 1.624 4.725 3.522 1.5982 0.2725 0.8695 65DOPE C39 8357 1.823 4.808 3.515 0.1419 0.1245 0.0532 65DOPE H9X 8358 1.892 4.728 3.484 0.3962 0.4805 -0.3072 65DOPE C310 8359 1.862 4.889 3.615 -0.2097 0.3388 0.0146 65DOPE H10X 8360 1.968 4.882 3.641 -0.5036 0.5806 1.3658 65DOPE C311 8361 1.777 4.991 3.685 -0.0218 0.4462 0.0856 65DOPE H11X 8362 1.841 5.079 3.705 0.8967 -0.0397 -0.6611 65DOPE H11Y 8363 1.703 5.022 3.609 0.8327 -1.2084 -1.4872 65DOPE C312 8364 1.700 4.942 3.808 -0.4123 -0.1612 -0.3938 65DOPE H12X 8365 1.641 4.852 3.780 -0.4184 -1.2553 2.7365 65DOPE H12Y 8366 1.635 5.024 3.847 1.5690 1.0553 0.5563 65DOPE C313 8367 1.788 4.921 3.932 -0.8498 0.3469 0.0105 65DOPE H13X 8368 1.872 4.851 3.912 1.0104 1.6963 2.5376 65DOPE H13Y 8369 1.839 5.017 3.953 0.4938 -0.1325 -0.9481 65DOPE C314 8370 1.708 4.871 4.053 -0.7102 0.5695 0.1935 65DOPE H14X 8371 1.670 4.768 4.037 0.7688 -0.2841 1.7495 65DOPE H14Y 8372 1.631 4.947 4.076 -2.9388 -1.2208 -0.9603 65DOPE C315 8373 1.803 4.872 4.173 -0.1176 -0.1832 -0.2610 65DOPE H15X 8374 1.850 4.970 4.197 -0.7938 -0.3313 1.9006 65DOPE H15Y 8375 1.890 4.808 4.143 -0.6414 -0.8933 -0.2922 65DOPE C316 8376 1.745 4.829 4.308 0.0978 0.3977 0.0198 65DOPE H16X 8377 1.646 4.878 4.314 -0.8441 -1.2932 -0.8999 65DOPE H16Y 8378 1.733 4.719 4.298 0.4660 0.4540 -1.2800 65DOPE C317 8379 1.824 4.868 4.433 0.2616 -0.2820 0.1316 65DOPE H17X 8380 1.757 4.844 4.518 -1.8103 0.4238 -1.2070 65DOPE H17Y 8381 1.842 4.977 4.424 1.3106 -0.5074 -0.8773 65DOPE C318 8382 1.958 4.795 4.443 0.3233 -0.2102 -0.1395 65DOPE H18X 8383 1.938 4.689 4.418 2.5127 -0.5870 -0.4577 65DOPE H18Y 8384 2.037 4.833 4.375 -0.1891 1.0797 -0.0499 65DOPE H18Z 8385 2.001 4.808 4.545 0.0003 -1.1989 0.1375 66DOPE N 8386 3.207 5.238 2.126 -0.5158 0.7689 0.0232 66DOPE HN1 8387 3.235 5.309 2.055 -2.4096 0.8930 -0.6532 66DOPE HN2 8388 3.196 5.279 2.221 1.8401 -0.7032 1.0359 66DOPE HN3 8389 3.284 5.170 2.143 0.8384 2.2911 0.3550 66DOPE C12 8390 3.081 5.173 2.075 0.0922 -0.3195 -0.1235 66DOPE H12A 8391 3.106 5.143 1.971 0.4786 2.2159 -0.8333 66DOPE H12B 8392 3.004 5.253 2.067 1.0902 0.5880 -1.0392 66DOPE C11 8393 3.055 5.057 2.171 0.3973 0.0176 0.3708 66DOPE H11A 8394 3.134 4.981 2.153 -0.4516 -1.1556 1.4724 66DOPE H11B 8395 2.954 5.025 2.137 1.7511 -1.6725 -2.4424 66DOPE P 8396 3.048 5.006 2.423 -0.2391 0.0833 -0.0399 66DOPE O13 8397 2.912 4.948 2.426 0.0650 -0.6569 -0.5606 66DOPE O14 8398 3.159 4.910 2.408 -0.0387 0.3210 -0.0853 66DOPE O11 8399 3.071 5.099 2.552 -0.4656 -0.0821 0.1207 66DOPE O12 8400 3.057 5.112 2.303 0.2959 0.3553 0.2334 66DOPE C1 8401 3.035 5.238 2.555 -0.2359 -0.0265 0.3140 66DOPE HA 8402 2.928 5.243 2.524 -0.2998 2.9241 0.7376 66DOPE HB 8403 3.102 5.282 2.478 -0.5753 -0.3048 -0.1445 66DOPE C2 8404 3.043 5.295 2.697 -0.1420 -0.1205 0.3466 66DOPE HS 8405 3.015 5.401 2.679 0.7223 0.0293 -0.1502 66DOPE O21 8406 3.175 5.284 2.749 0.0459 -0.2499 -0.1575 66DOPE C21 8407 3.206 5.375 2.842 -0.5526 -0.5666 0.3588 66DOPE O22 8408 3.142 5.477 2.865 0.4394 0.2099 -0.2201 66DOPE C22 8409 3.333 5.336 2.915 0.0033 0.5608 0.0277 66DOPE H2R 8410 3.398 5.423 2.936 1.3971 -0.3105 -0.5694 66DOPE H2S 8411 3.392 5.249 2.877 1.5173 2.4322 -2.1478 66DOPE C3 8412 2.937 5.234 2.791 -0.5464 -0.7385 -0.4902 66DOPE HX 8413 2.957 5.126 2.802 -0.1640 -0.4998 1.7333 66DOPE HY 8414 2.835 5.230 2.749 0.1910 -1.0049 -2.3137 66DOPE O31 8415 2.930 5.299 2.919 -0.1932 -0.3976 -0.6407 66DOPE C31 8416 2.860 5.413 2.917 0.1305 -0.1790 0.1929 66DOPE O32 8417 2.798 5.461 2.824 0.5907 0.2255 0.0944 66DOPE C32 8418 2.872 5.471 3.057 0.4189 0.0874 0.0574 66DOPE H2X 8419 2.916 5.399 3.129 -2.0061 -0.2465 1.3357 66DOPE H2Y 8420 2.949 5.551 3.057 -1.1469 1.6776 -0.2907 66DOPE C23 8421 3.285 5.288 3.052 0.7036 -0.4189 -0.0588 66DOPE H3R 8422 3.209 5.207 3.042 1.2549 -0.7757 -1.6962 66DOPE H3S 8423 3.232 5.376 3.095 -2.1054 -2.7420 1.5606 66DOPE C24 8424 3.404 5.245 3.138 0.5957 -0.4767 0.0625 66DOPE H4R 8425 3.467 5.333 3.168 -0.5787 -0.2255 1.9745 66DOPE H4S 8426 3.468 5.178 3.077 0.3105 -0.6249 -0.0719 66DOPE C25 8427 3.359 5.191 3.274 -0.6551 -0.3939 -0.3156 66DOPE H5R 8428 3.441 5.179 3.347 0.0093 -2.9444 -1.3427 66DOPE H5S 8429 3.327 5.086 3.256 -0.4593 -0.4457 -0.3553 66DOPE C26 8430 3.244 5.264 3.344 -0.0783 -0.0580 0.2824 66DOPE H6R 8431 3.154 5.256 3.280 1.1730 0.4129 -1.5995 66DOPE H6S 8432 3.264 5.373 3.343 -0.3943 0.0571 -3.1188 66DOPE C27 8433 3.213 5.219 3.487 0.0087 -0.1351 0.2767 66DOPE H7R 8434 3.187 5.111 3.492 0.5544 -0.3078 -0.4586 66DOPE H7S 8435 3.120 5.269 3.520 1.4827 2.1147 1.2263 66DOPE C28 8436 3.322 5.269 3.581 -0.1525 0.2263 0.2707 66DOPE H8R 8437 3.317 5.379 3.567 0.6660 0.1868 -0.4710 66DOPE H8S 8438 3.429 5.246 3.563 -0.0039 0.5566 0.6799 66DOPE C29 8439 3.281 5.242 3.723 0.0416 -0.2254 0.2431 66DOPE H9R 8440 3.211 5.158 3.736 0.5604 -0.7542 -0.3307 66DOPE C210 8441 3.304 5.322 3.829 -0.2444 -0.2328 0.3118 66DOPE H10R 8442 3.256 5.294 3.924 -0.0019 0.6524 0.7001 66DOPE C211 8443 3.376 5.453 3.825 0.0697 -0.4147 -0.2017 66DOPE H11R 8444 3.302 5.533 3.850 0.9639 -0.4974 3.1936 66DOPE H11S 8445 3.421 5.472 3.725 1.5232 -2.1026 0.0840 66DOPE C212 8446 3.480 5.461 3.937 -0.1269 -0.0987 -0.0376 66DOPE H12R 8447 3.565 5.391 3.925 0.1727 0.0261 1.2154 66DOPE H12S 8448 3.429 5.427 4.029 -0.6007 0.4754 -0.0828 66DOPE C213 8449 3.541 5.601 3.948 0.0222 -0.1345 -0.3724 66DOPE H13R 8450 3.463 5.671 3.984 1.3406 1.4504 -0.4846 66DOPE H13S 8451 3.596 5.640 3.859 1.1174 0.4262 0.5110 66DOPE C214 8452 3.649 5.604 4.057 -0.3332 0.1730 -0.0256 66DOPE H14R 8453 3.723 5.524 4.037 -0.1721 -0.2732 2.1044 66DOPE H14S 8454 3.605 5.590 4.158 0.8896 0.1589 0.5228 66DOPE C215 8455 3.738 5.729 4.056 0.2315 -0.2281 -0.4088 66DOPE H15R 8456 3.762 5.763 3.953 1.8420 -0.0071 0.0131 66DOPE H15S 8457 3.830 5.706 4.114 -0.3050 0.5852 0.8123 66DOPE C216 8458 3.676 5.832 4.150 -0.0959 -0.4565 -0.3725 66DOPE H16R 8459 3.691 5.813 4.259 -0.6118 -0.1346 -0.2395 66DOPE H16S 8460 3.566 5.821 4.137 -0.2575 -0.4554 0.8552 66DOPE C217 8461 3.736 5.972 4.134 0.2836 -0.5288 0.3129 66DOPE H17R 8462 3.713 6.026 4.039 0.4307 -0.6661 0.1968 66DOPE H17S 8463 3.844 5.953 4.151 0.3250 -2.3293 -1.5081 66DOPE C218 8464 3.692 6.063 4.248 -0.0606 0.0272 -0.2529 66DOPE H18R 8465 3.585 6.059 4.280 0.4226 1.2935 1.6769 66DOPE H18S 8466 3.710 6.171 4.232 -2.0203 0.6518 1.2871 66DOPE H18T 8467 3.744 6.020 4.337 -2.4196 -0.9476 0.7636 66DOPE C33 8468 2.740 5.533 3.105 0.1234 0.0568 -0.7102 66DOPE H3X 8469 2.671 5.452 3.135 0.1613 -0.2189 -1.3368 66DOPE H3Y 8470 2.691 5.596 3.028 -1.5055 -0.0199 0.2359 66DOPE C34 8471 2.765 5.627 3.222 -0.4201 -0.7249 0.0434 66DOPE H4X 8472 2.808 5.565 3.304 -0.9338 -2.0609 -0.6881 66DOPE H4Y 8473 2.842 5.707 3.212 0.7674 -1.6672 1.1849 66DOPE C35 8474 2.640 5.696 3.277 0.0426 -0.0445 0.2727 66DOPE H5X 8475 2.602 5.761 3.195 2.0262 -1.7105 -2.1224 66DOPE H5Y 8476 2.565 5.615 3.292 0.0442 0.2332 2.0631 66DOPE C36 8477 2.659 5.777 3.405 0.3434 0.1746 0.0880 66DOPE H6X 8478 2.700 5.713 3.486 -1.0000 0.5385 1.0849 66DOPE H6Y 8479 2.743 5.847 3.384 0.4155 0.2404 0.5811 66DOPE C37 8480 2.526 5.838 3.449 0.0001 -0.5487 0.0689 66DOPE H7X 8481 2.479 5.895 3.366 0.8293 1.6697 1.0478 66DOPE H7Y 8482 2.457 5.755 3.473 -2.4794 1.2822 -0.2601 66DOPE C38 8483 2.532 5.932 3.569 0.0812 -0.5771 0.0870 66DOPE H8X 8484 2.544 5.876 3.664 -0.0762 -0.6946 0.0368 66DOPE H8Y 8485 2.614 6.007 3.566 -0.5793 0.2027 0.9447 66DOPE C39 8486 2.403 6.007 3.583 0.1751 -0.4165 0.1132 66DOPE H9X 8487 2.391 6.087 3.508 0.2994 1.0742 1.6311 66DOPE C310 8488 2.291 5.979 3.651 -0.1985 0.3673 -0.1656 66DOPE H10X 8489 2.208 6.044 3.620 0.5077 -0.0133 -3.2236 66DOPE C311 8490 2.262 5.862 3.740 0.2417 0.1682 -0.2771 66DOPE H11X 8491 2.343 5.786 3.745 0.4145 0.4354 2.7881 66DOPE H11Y 8492 2.175 5.802 3.705 0.3502 0.2402 -0.6643 66DOPE C312 8493 2.219 5.904 3.881 0.2135 -0.2466 -0.1609 66DOPE H12X 8494 2.186 5.816 3.941 2.4259 -0.4760 0.8353 66DOPE H12Y 8495 2.146 5.987 3.883 -0.0860 -0.5017 -0.3173 66DOPE C313 8496 2.332 5.952 3.972 0.2132 -0.1962 -0.1872 66DOPE H13X 8497 2.287 5.979 4.070 -0.8807 0.7300 -0.9213 66DOPE H13Y 8498 2.383 6.042 3.932 0.7264 0.1735 1.2137 66DOPE C314 8499 2.445 5.851 3.994 -0.2123 -0.6458 -0.0432 66DOPE H14X 8500 2.498 5.832 3.899 0.9155 0.4172 0.3456 66DOPE H14Y 8501 2.412 5.757 4.043 2.6549 -0.4095 2.6329 66DOPE C315 8502 2.560 5.902 4.082 -0.8169 -0.0182 0.3975 66DOPE H15X 8503 2.626 5.813 4.086 1.3626 1.3790 -1.9079 66DOPE H15Y 8504 2.532 5.921 4.188 -0.4062 0.7559 0.3706 66DOPE C316 8505 2.636 6.014 4.012 -0.4261 -0.3499 0.2828 66DOPE H16X 8506 2.670 5.987 3.909 0.3493 0.5229 0.2930 66DOPE H16Y 8507 2.573 6.105 4.005 -0.2899 0.0263 3.0169 66DOPE C317 8508 2.763 6.054 4.088 -0.3700 -0.0501 0.0356 66DOPE H17X 8509 2.838 5.972 4.080 -0.5785 -0.1967 -0.5183 66DOPE H17Y 8510 2.743 6.078 4.194 -0.6746 -1.4911 0.3244 66DOPE C318 8511 2.834 6.176 4.029 0.1642 -0.3517 0.0504 66DOPE H18X 8512 2.849 6.158 3.921 -0.1454 1.8127 -0.3890 66DOPE H18Y 8513 2.766 6.262 4.048 0.6315 -0.2404 1.3118 66DOPE H18Z 8514 2.933 6.197 4.076 1.1813 -1.7711 -1.3514 67DOPE N 8515 6.022 5.526 2.568 -0.0553 0.1831 -0.6655 67DOPE HN1 8516 5.925 5.547 2.599 -0.6717 1.1946 -3.0828 67DOPE HN2 8517 6.007 5.483 2.474 -0.2504 0.7009 -0.8766 67DOPE HN3 8518 6.060 5.457 2.636 1.4814 -0.7842 -2.4240 67DOPE C12 8519 6.105 5.650 2.552 0.1983 0.1990 0.6413 67DOPE H12A 8520 6.119 5.695 2.653 -1.0292 1.0249 0.4537 67DOPE H12B 8521 6.054 5.724 2.486 0.5479 -0.6324 -0.5944 67DOPE C11 8522 6.236 5.620 2.478 -0.1929 0.2251 -0.0726 67DOPE H11A 8523 6.293 5.548 2.541 1.8672 1.6704 -0.2123 67DOPE H11B 8524 6.287 5.718 2.481 -0.3646 0.3064 0.4551 67DOPE P 8525 6.337 5.618 2.247 0.1784 0.1174 0.1730 67DOPE O13 8526 6.327 5.766 2.242 0.1177 0.1061 -0.0919 67DOPE O14 8527 6.334 5.553 2.114 0.6615 0.4627 -0.0084 67DOPE O11 8528 6.469 5.578 2.328 0.2560 -0.3571 -0.1859 67DOPE O12 8529 6.218 5.573 2.344 -0.1587 0.3606 -0.1237 67DOPE C1 8530 6.591 5.635 2.279 0.2492 -0.3146 -0.1525 67DOPE HA 8531 6.581 5.746 2.272 -1.1932 -0.3945 0.2965 67DOPE HB 8532 6.613 5.606 2.174 0.7698 -0.6789 0.0528 67DOPE C2 8533 6.704 5.598 2.376 -0.0086 -0.5519 0.0603 67DOPE HS 8534 6.737 5.496 2.347 0.8330 -1.2959 3.2521 67DOPE O21 8535 6.664 5.589 2.512 1.0515 0.0588 0.4296 67DOPE C21 8536 6.596 5.692 2.564 -0.0979 -0.4985 0.0669 67DOPE O22 8537 6.559 5.797 2.512 0.4794 -0.2694 0.1159 67DOPE C22 8538 6.558 5.651 2.705 -0.4239 -0.4211 0.0035 67DOPE H2R 8539 6.582 5.543 2.720 0.9428 -0.2627 -0.8883 67DOPE H2S 8540 6.449 5.670 2.715 0.0185 2.1668 0.7040 67DOPE C3 8541 6.824 5.692 2.352 -0.4236 0.0546 0.3392 67DOPE HX 8542 6.784 5.795 2.340 -0.0821 -0.0825 -2.6579 67DOPE HY 8543 6.871 5.665 2.255 0.2140 -1.1546 0.9606 67DOPE O31 8544 6.916 5.685 2.462 0.2437 -0.0456 -0.2177 67DOPE C31 8545 6.993 5.578 2.477 0.3344 0.0332 -0.1248 67DOPE O32 8546 6.983 5.476 2.412 -0.3571 0.0001 0.0266 67DOPE C32 8547 7.087 5.595 2.596 -0.1082 0.1154 0.2183 67DOPE H2X 8548 7.154 5.679 2.565 -0.6105 0.7065 0.7192 67DOPE H2Y 8549 7.028 5.632 2.683 2.1056 -0.5877 2.1267 67DOPE C23 8550 6.643 5.731 2.804 -0.3714 -0.4295 -0.0347 67DOPE H3R 8551 6.615 5.839 2.798 0.5060 -0.1382 0.8819 67DOPE H3S 8552 6.751 5.721 2.779 -0.5490 -0.7768 -0.6737 67DOPE C24 8553 6.627 5.706 2.954 -0.0557 0.0480 0.0800 67DOPE H4R 8554 6.697 5.626 2.984 -1.8371 -1.2973 0.7983 67DOPE H4S 8555 6.523 5.678 2.979 0.2314 -0.8014 0.3511 67DOPE C25 8556 6.660 5.833 3.033 0.0728 -0.1039 0.2727 67DOPE H5R 8557 6.585 5.916 3.029 0.5772 0.4170 1.2124 67DOPE H5S 8558 6.753 5.878 2.994 0.1257 0.6992 1.2814 67DOPE C26 8559 6.686 5.800 3.180 -0.1739 -0.4458 0.2420 67DOPE H6R 8560 6.743 5.706 3.194 -0.3931 -0.9893 -2.1156 67DOPE H6S 8561 6.591 5.779 3.232 0.5468 -1.2797 1.2571 67DOPE C27 8562 6.757 5.911 3.258 -0.3066 -0.2253 0.0507 67DOPE H7R 8563 6.720 6.013 3.234 -0.3387 -0.2736 -0.1199 67DOPE H7S 8564 6.859 5.914 3.214 -0.9013 1.4763 -1.3521 67DOPE C28 8565 6.752 5.870 3.405 -0.3959 -0.0230 0.1043 67DOPE H8R 8566 6.750 5.759 3.409 -1.3870 0.0144 1.9404 67DOPE H8S 8567 6.655 5.909 3.444 -0.4095 0.6189 -0.5437 67DOPE C29 8568 6.855 5.921 3.502 -0.2938 0.9283 -0.4814 67DOPE H9R 8569 6.925 5.994 3.461 1.0481 1.4094 2.4313 67DOPE C210 8570 6.864 5.900 3.634 -1.0520 0.3301 -0.5169 67DOPE H10R 8571 6.949 5.939 3.692 0.9986 1.9644 -4.3008 67DOPE C211 8572 6.789 5.791 3.707 0.4380 -0.3395 0.0726 67DOPE H11R 8573 6.825 5.689 3.683 0.1923 -0.3841 -0.1202 67DOPE H11S 8574 6.678 5.798 3.697 0.4401 0.9833 0.7680 67DOPE C212 8575 6.823 5.801 3.855 0.0909 0.0095 0.1324 67DOPE H12R 8576 6.934 5.795 3.859 0.0858 0.2260 2.8572 67DOPE H12S 8577 6.769 5.719 3.906 -0.4543 1.0706 1.3116 67DOPE C213 8578 6.780 5.935 3.915 -0.3956 -0.2600 0.3906 67DOPE H13R 8579 6.673 5.949 3.888 -0.1118 -1.3472 -1.4819 67DOPE H13S 8580 6.846 6.015 3.873 -1.0399 -0.5189 -1.1920 67DOPE C214 8581 6.788 5.944 4.067 0.6084 -0.5133 0.3584 67DOPE H14R 8582 6.894 5.933 4.099 -0.1604 -0.9345 3.0091 67DOPE H14S 8583 6.737 5.855 4.109 2.9762 -1.9168 0.4333 67DOPE C215 8584 6.738 6.077 4.123 -0.2104 -0.7245 0.1494 67DOPE H15R 8585 6.631 6.071 4.095 0.1173 -0.8165 -1.1289 67DOPE H15S 8586 6.775 6.164 4.064 0.0057 0.4225 1.9022 67DOPE C216 8587 6.739 6.103 4.274 0.0280 0.0603 0.0201 67DOPE H16R 8588 6.839 6.121 4.319 -0.6219 1.8507 0.8600 67DOPE H16S 8589 6.688 6.019 4.327 -0.3980 1.0843 1.2735 67DOPE C217 8590 6.655 6.227 4.304 0.1514 0.2065 -0.2391 67DOPE H17R 8591 6.565 6.213 4.241 0.1677 -1.6411 0.1007 67DOPE H17S 8592 6.711 6.320 4.279 0.1920 0.4562 0.7253 67DOPE C218 8593 6.613 6.226 4.451 -0.7593 -0.4602 -0.4989 67DOPE H18R 8594 6.545 6.309 4.480 -0.8714 -0.7937 0.2314 67DOPE H18S 8595 6.702 6.251 4.512 -1.2625 0.4541 -0.1145 67DOPE H18T 8596 6.566 6.128 4.476 -0.2653 -0.4968 0.3323 67DOPE C33 8597 7.157 5.462 2.625 -0.0214 0.1428 0.1395 67DOPE H3X 8598 7.203 5.413 2.537 -2.3501 -0.1089 -1.0128 67DOPE H3Y 8599 7.085 5.381 2.649 0.4759 -0.2379 0.3681 67DOPE C34 8600 7.259 5.451 2.739 -0.1589 -0.3891 0.2138 67DOPE H4X 8601 7.348 5.506 2.702 -0.0776 -1.1610 -0.7818 67DOPE H4Y 8602 7.219 5.514 2.822 -1.8041 -0.8709 -0.1674 67DOPE C35 8603 7.303 5.311 2.783 0.4994 -0.4019 -0.4713 67DOPE H5X 8604 7.361 5.264 2.701 2.5034 0.2633 0.5045 67DOPE H5Y 8605 7.212 5.251 2.808 -1.1079 1.0922 -2.3426 67DOPE C36 8606 7.403 5.315 2.898 0.1269 -0.8211 -0.1281 67DOPE H6X 8607 7.485 5.385 2.869 -1.8043 1.6259 -0.0233 67DOPE H6Y 8608 7.442 5.212 2.906 -1.0447 -1.3340 -0.7601 67DOPE C37 8609 7.344 5.362 3.031 0.1223 0.1811 -0.4745 67DOPE H7X 8610 7.304 5.465 3.020 3.1247 1.6968 1.3470 67DOPE H7Y 8611 7.258 5.304 3.071 0.1237 1.4447 1.4914 67DOPE C38 8612 7.446 5.354 3.145 -0.5332 0.3242 0.1334 67DOPE H8X 8613 7.484 5.250 3.156 1.8620 1.0226 -0.7144 67DOPE H8Y 8614 7.544 5.402 3.123 1.1891 -2.7765 0.4654 67DOPE C39 8615 7.392 5.416 3.270 0.0954 0.1943 0.4733 67DOPE H9X 8616 7.325 5.503 3.262 -0.7791 -0.2457 2.4438 67DOPE C310 8617 7.398 5.357 3.391 -1.2570 -0.4431 0.2447 67DOPE H10X 8618 7.375 5.410 3.485 -0.2767 0.0275 0.2257 67DOPE C311 8619 7.468 5.227 3.414 0.2864 0.3709 0.2889 67DOPE H11X 8620 7.410 5.145 3.366 -0.0054 0.3380 0.6946 67DOPE H11Y 8621 7.565 5.228 3.360 -0.5268 -1.4078 -1.3519 67DOPE C312 8622 7.502 5.201 3.561 0.4124 0.2408 0.2375 67DOPE H12X 8623 7.555 5.293 3.595 0.0057 0.1724 1.0595 67DOPE H12Y 8624 7.575 5.118 3.567 -0.5739 -0.5576 1.8392 67DOPE C313 8625 7.376 5.168 3.642 0.4000 -0.5162 -0.0816 67DOPE H13X 8626 7.299 5.244 3.617 1.4449 0.0939 -1.6414 67DOPE H13Y 8627 7.331 5.072 3.611 -0.6273 -0.5965 1.5793 67DOPE C314 8628 7.400 5.163 3.793 0.6961 -0.1202 -0.1126 67DOPE H14X 8629 7.308 5.133 3.848 2.4244 -1.5847 2.1570 67DOPE H14Y 8630 7.481 5.093 3.823 -0.8994 -2.2206 -0.4762 67DOPE C315 8631 7.437 5.301 3.848 -0.3428 0.0956 0.0592 67DOPE H15X 8632 7.523 5.336 3.789 -1.3191 -0.9918 -2.1313 67DOPE H15Y 8633 7.345 5.362 3.833 -0.1536 0.3278 -0.1477 67DOPE C316 8634 7.488 5.310 3.992 -0.3226 0.1256 0.0500 67DOPE H16X 8635 7.543 5.406 3.999 0.8326 -0.1236 -3.6032 67DOPE H16Y 8636 7.398 5.313 4.057 -0.5312 1.3162 -0.2640 67DOPE C317 8637 7.593 5.207 4.034 -0.4224 0.0791 0.1865 67DOPE H17X 8638 7.533 5.115 4.050 -1.9687 1.0782 0.4002 67DOPE H17Y 8639 7.674 5.196 3.959 0.4147 -1.5797 1.2698 67DOPE C318 8640 7.651 5.239 4.172 -0.1868 -0.4209 0.2056 67DOPE H18X 8641 7.695 5.143 4.206 1.7527 1.1984 2.6604 67DOPE H18Y 8642 7.730 5.318 4.172 0.4612 -1.0345 -1.3248 67DOPE H18Z 8643 7.568 5.274 4.237 -1.5100 0.9439 -2.0563 68DOPE N 8644 4.546 4.065 2.140 -0.1205 0.3543 -0.2440 68DOPE HN1 8645 4.515 3.966 2.135 1.9908 -0.4249 0.8942 68DOPE HN2 8646 4.544 4.081 2.243 -0.6731 0.8197 -0.3174 68DOPE HN3 8647 4.474 4.125 2.094 -0.6804 -0.9233 -1.0821 68DOPE C12 8648 4.684 4.074 2.078 0.3089 0.1556 0.6715 68DOPE H12A 8649 4.670 4.044 1.972 0.1775 2.3805 0.0196 68DOPE H12B 8650 4.752 4.008 2.137 0.7553 0.4087 0.4424 68DOPE C11 8651 4.733 4.217 2.102 0.0037 0.3115 0.3752 68DOPE H11A 8652 4.674 4.284 2.036 -1.6592 -0.6812 0.7664 68DOPE H11B 8653 4.842 4.212 2.082 0.4012 1.6730 1.9635 68DOPE P 8654 4.748 4.411 2.271 0.3196 0.0844 -0.0270 68DOPE O13 8655 4.629 4.486 2.316 0.2973 -0.1206 0.2627 68DOPE O14 8656 4.834 4.468 2.165 0.0237 0.0069 -0.3110 68DOPE O11 8657 4.844 4.397 2.399 0.2727 0.2506 0.0255 68DOPE O12 8658 4.709 4.259 2.237 0.1794 -0.0033 0.5059 68DOPE C1 8659 4.917 4.275 2.412 0.0028 0.1611 0.7345 68DOPE HA 8660 4.952 4.241 2.313 -2.5733 0.6157 -0.4203 68DOPE HB 8661 4.847 4.197 2.448 -1.8434 0.7615 -1.3402 68DOPE C2 8662 5.034 4.287 2.512 0.7338 -0.1417 -0.0712 68DOPE HS 8663 5.091 4.191 2.513 -0.8422 -1.1218 1.0411 68DOPE O21 8664 4.971 4.309 2.639 0.4331 -0.3320 -0.1859 68DOPE C21 8665 4.958 4.199 2.713 -0.6239 0.1355 0.3374 68DOPE O22 8666 4.972 4.084 2.675 -0.6573 0.2848 -0.1225 68DOPE C22 8667 4.939 4.239 2.859 0.1247 0.2652 0.4017 68DOPE H2R 8668 4.850 4.182 2.891 0.1793 -0.1502 -0.1603 68DOPE H2S 8669 4.910 4.345 2.877 -0.8383 0.1108 -0.1932 68DOPE C3 8670 5.120 4.409 2.477 -0.1953 0.6854 0.4759 68DOPE HX 8671 5.057 4.500 2.490 0.9028 1.4510 0.5572 68DOPE HY 8672 5.148 4.386 2.372 -1.0814 2.1767 -0.1341 68DOPE O31 8673 5.239 4.415 2.555 -0.1692 0.3761 0.4605 68DOPE C31 8674 5.304 4.527 2.524 -0.5196 0.3904 -0.2385 68DOPE O32 8675 5.283 4.590 2.422 -0.3464 -0.0820 -0.5698 68DOPE C32 8676 5.407 4.557 2.632 -0.4800 0.1641 -0.2145 68DOPE H2X 8677 5.374 4.509 2.727 -1.3344 -1.2459 -1.1840 68DOPE H2Y 8678 5.503 4.523 2.588 -1.1445 0.6611 -2.1658 68DOPE C23 8679 5.061 4.198 2.941 0.2823 0.0682 0.0730 68DOPE H3R 8680 5.079 4.094 2.908 -0.1774 0.5539 -1.8122 68DOPE H3S 8681 5.031 4.196 3.048 -0.4157 0.1517 -0.1175 68DOPE C24 8682 5.189 4.282 2.929 0.1260 0.2531 -0.3098 68DOPE H4R 8683 5.197 4.307 2.821 1.1200 0.0525 -0.2900 68DOPE H4S 8684 5.274 4.220 2.966 1.3675 1.4059 -1.1380 68DOPE C25 8685 5.184 4.416 3.002 1.0113 0.3571 -0.4324 68DOPE H5R 8686 5.098 4.478 2.971 -1.6694 -2.2769 1.1409 68DOPE H5S 8687 5.273 4.472 2.967 0.3226 1.7804 0.0305 68DOPE C26 8688 5.194 4.412 3.155 0.0113 -0.1700 -0.3726 68DOPE H6R 8689 5.236 4.314 3.188 2.8209 1.1370 0.2155 68DOPE H6S 8690 5.091 4.412 3.196 1.0917 -1.3675 2.6840 68DOPE C27 8691 5.297 4.512 3.208 -0.2353 -0.2726 0.3120 68DOPE H7R 8692 5.275 4.618 3.182 1.4415 0.7210 2.5812 68DOPE H7S 8693 5.395 4.482 3.164 0.8684 0.6790 2.0209 68DOPE C28 8694 5.318 4.525 3.359 0.5384 0.1560 0.1720 68DOPE H8R 8695 5.335 4.424 3.400 -1.1951 0.1503 0.9749 68DOPE H8S 8696 5.222 4.563 3.400 -0.4400 -1.3125 -0.7138 68DOPE C29 8697 5.431 4.611 3.409 0.7025 -0.0526 0.1586 68DOPE H9R 8698 5.524 4.621 3.350 1.0237 1.1168 0.8298 68DOPE C210 8699 5.434 4.681 3.523 -0.3265 -0.2197 0.2955 68DOPE H10R 8700 5.526 4.732 3.556 0.2324 -0.7405 -0.4203 68DOPE C211 8701 5.321 4.685 3.622 -0.5970 0.3404 -0.0265 68DOPE H11R 8702 5.268 4.587 3.625 -0.2094 0.1341 0.2138 68DOPE H11S 8703 5.242 4.757 3.592 -1.3557 0.2623 1.6787 68DOPE C212 8704 5.369 4.716 3.764 0.4349 0.0596 -0.3074 68DOPE H12R 8705 5.453 4.788 3.754 1.3638 -0.9990 -0.3175 68DOPE H12S 8706 5.410 4.628 3.819 -1.2483 1.2527 3.1289 68DOPE C213 8707 5.255 4.768 3.851 0.2738 -0.2794 -0.3157 68DOPE H13R 8708 5.203 4.675 3.884 -1.8171 1.1487 0.5768 68DOPE H13S 8709 5.184 4.836 3.799 -1.5849 -1.5402 0.4581 68DOPE C214 8710 5.301 4.851 3.971 -0.3030 0.2518 -0.4609 68DOPE H14R 8711 5.337 4.953 3.943 -0.5526 1.3352 2.8008 68DOPE H14S 8712 5.384 4.799 4.022 0.4991 1.7979 -0.1160 68DOPE C215 8713 5.180 4.862 4.064 0.2093 -0.3511 0.2832 68DOPE H15R 8714 5.150 4.766 4.111 -1.0979 0.1311 0.4825 68DOPE H15S 8715 5.094 4.884 3.997 1.6719 0.8957 -1.2853 68DOPE C216 8716 5.212 4.962 4.174 0.4922 -0.2926 0.1486 68DOPE H16R 8717 5.251 5.055 4.127 0.3523 -0.8571 -1.1173 68DOPE H16S 8718 5.292 4.922 4.240 0.8767 2.2709 1.3878 68DOPE C217 8719 5.098 4.989 4.273 0.3099 0.1704 -0.1838 68DOPE H17R 8720 5.141 5.042 4.361 -2.0598 3.1970 -0.6685 68DOPE H17S 8721 5.054 4.890 4.296 -0.6629 0.8411 0.9439 68DOPE C218 8722 4.988 5.081 4.220 0.3462 0.1260 -0.3353 68DOPE H18R 8723 5.024 5.186 4.226 0.7852 -0.1144 1.8678 68DOPE H18S 8724 4.907 5.064 4.294 0.4926 -2.8263 -0.7406 68DOPE H18T 8725 4.957 5.056 4.116 1.9483 -1.2072 -0.5300 68DOPE C33 8726 5.418 4.709 2.644 -0.3381 0.1437 -0.0760 68DOPE H3X 8727 5.314 4.746 2.652 -1.4770 -2.3067 -2.0648 68DOPE H3Y 8728 5.458 4.759 2.553 1.2121 0.0801 0.5428 68DOPE C34 8729 5.523 4.746 2.749 -0.2785 -0.3658 0.0469 68DOPE H4X 8730 5.580 4.834 2.711 -0.9368 0.5904 1.1971 68DOPE H4Y 8731 5.587 4.655 2.749 1.0868 0.5446 1.8691 68DOPE C35 8732 5.461 4.768 2.887 0.0828 -0.1860 0.1827 68DOPE H5X 8733 5.426 4.667 2.919 -1.5245 0.4427 0.4879 68DOPE H5Y 8734 5.374 4.837 2.894 0.9532 1.0442 -0.7357 68DOPE C36 8735 5.566 4.823 2.983 0.5208 -0.4732 -0.1243 68DOPE H6X 8736 5.668 4.787 2.958 1.3204 1.8063 -0.3984 68DOPE H6Y 8737 5.570 4.933 2.964 1.5305 -0.1505 1.7054 68DOPE C37 8738 5.524 4.809 3.130 0.0413 -0.1398 -0.2267 68DOPE H7X 8739 5.432 4.865 3.159 0.5440 0.3760 0.4165 68DOPE H7Y 8740 5.496 4.703 3.143 -0.1869 -0.5300 -3.2373 68DOPE C38 8741 5.622 4.862 3.234 0.0678 -0.6926 0.0302 68DOPE H8X 8742 5.565 4.843 3.327 0.3262 0.6322 0.4890 68DOPE H8Y 8743 5.712 4.797 3.242 1.8757 1.4323 -1.5008 68DOPE C39 8744 5.663 5.006 3.222 -0.9598 -0.4076 -0.1296 68DOPE H9X 8745 5.672 5.039 3.118 -0.4427 0.6987 0.2455 68DOPE C310 8746 5.703 5.086 3.322 0.2511 -0.3467 -0.6422 68DOPE H10X 8747 5.724 5.190 3.292 0.2522 0.0969 0.8031 68DOPE C311 8748 5.696 5.053 3.469 -0.6833 -0.2231 -0.6501 68DOPE H11X 8749 5.681 4.944 3.483 -2.7714 0.2061 0.8018 68DOPE H11Y 8750 5.791 5.087 3.516 0.5201 -1.2996 -2.1640 68DOPE C312 8751 5.564 5.120 3.506 -0.0942 0.5977 -0.0034 68DOPE H12X 8752 5.487 5.070 3.443 0.4244 -1.4958 0.9430 68DOPE H12Y 8753 5.571 5.228 3.478 -0.5783 0.2659 -1.5099 68DOPE C313 8754 5.536 5.098 3.654 0.3661 0.6728 0.0960 68DOPE H13X 8755 5.538 4.989 3.677 -0.3004 0.8549 1.1049 68DOPE H13Y 8756 5.625 5.141 3.705 1.2186 0.3640 -1.1002 68DOPE C314 8757 5.409 5.162 3.711 0.1421 0.0348 0.3234 68DOPE H14X 8758 5.419 5.272 3.702 -2.1271 0.4037 1.5864 68DOPE H14Y 8759 5.399 5.144 3.820 -2.8724 0.0584 0.1485 68DOPE C315 8760 5.273 5.118 3.656 0.2235 0.0343 0.1216 68DOPE H15X 8761 5.258 5.010 3.674 0.2467 0.3013 1.8581 68DOPE H15Y 8762 5.278 5.123 3.545 1.3216 -0.4840 0.1360 68DOPE C316 8763 5.148 5.188 3.710 0.2815 0.1140 0.1543 68DOPE H16X 8764 5.172 5.296 3.725 -0.0428 0.3705 -1.0814 68DOPE H16Y 8765 5.072 5.172 3.631 -0.3912 -1.3796 1.0691 68DOPE C317 8766 5.079 5.137 3.837 -0.5184 0.2871 -0.2123 68DOPE H17X 8767 5.147 5.148 3.923 -1.1748 -1.3024 0.5531 68DOPE H17Y 8768 5.055 5.030 3.822 2.1098 -0.2833 -0.7243 68DOPE C318 8769 4.953 5.215 3.876 -0.3829 0.2511 0.2899 68DOPE H18X 8770 4.919 5.184 3.978 -2.5233 0.3514 -0.3550 68DOPE H18Y 8771 4.978 5.323 3.871 -0.2754 0.3594 2.1514 68DOPE H18Z 8772 4.877 5.183 3.802 -1.1709 0.3007 1.0514 69DOPE N 8773 3.589 2.936 2.455 -0.0850 0.3738 0.0642 69DOPE HN1 8774 3.647 3.021 2.437 0.9073 0.0884 1.7163 69DOPE HN2 8775 3.511 2.962 2.519 -0.9644 -1.6789 -0.0925 69DOPE HN3 8776 3.641 2.868 2.514 0.6894 -0.5007 -1.5527 69DOPE C12 8777 3.510 2.871 2.345 -0.1782 -0.4056 0.5882 69DOPE H12A 8778 3.571 2.870 2.253 -0.2630 -1.4924 0.5253 69DOPE H12B 8779 3.416 2.927 2.325 -0.1760 -0.5617 0.1219 69DOPE C11 8780 3.463 2.727 2.372 -0.2586 -0.4796 0.0705 69DOPE H11A 8781 3.557 2.667 2.375 1.3004 1.8324 1.5660 69DOPE H11B 8782 3.407 2.690 2.284 -1.8892 -0.9957 1.2720 69DOPE P 8783 3.335 2.593 2.544 -0.2474 0.3837 0.3094 69DOPE O13 8784 3.417 2.471 2.529 -0.8220 0.1127 -0.8066 69DOPE O14 8785 3.205 2.596 2.471 -0.1544 0.2080 0.1340 69DOPE O11 8786 3.301 2.605 2.699 0.3012 -0.3863 0.4950 69DOPE O12 8787 3.407 2.730 2.504 -0.1023 0.2542 0.1277 69DOPE C1 8788 3.385 2.688 2.781 0.2603 0.5444 -0.3880 69DOPE HA 8789 3.316 2.707 2.866 -1.4616 -2.0007 -1.0666 69DOPE HB 8790 3.413 2.776 2.720 0.2769 0.1024 -1.0351 69DOPE C2 8791 3.507 2.615 2.838 -0.0248 0.1508 -0.2767 69DOPE HS 8792 3.570 2.578 2.755 -0.5111 0.7669 -0.9236 69DOPE O21 8793 3.455 2.508 2.919 0.2229 0.2020 -0.0466 69DOPE C21 8794 3.532 2.400 2.920 -0.3848 -0.2309 0.2341 69DOPE O22 8795 3.634 2.385 2.854 -0.2251 -0.0285 0.4345 69DOPE C22 8796 3.495 2.302 3.031 -0.2392 -0.0945 0.4033 69DOPE H2R 8797 3.502 2.196 2.999 3.1285 -0.4599 1.9248 69DOPE H2S 8798 3.399 2.341 3.072 0.9794 1.9637 1.4870 69DOPE C3 8799 3.590 2.707 2.929 -0.1457 0.0342 -0.0460 69DOPE HX 8800 3.509 2.759 2.984 -0.4905 0.1590 -0.6580 69DOPE HY 8801 3.643 2.784 2.869 1.6144 -1.2666 -0.2437 69DOPE O31 8802 3.685 2.646 3.016 0.2274 0.3942 -0.1924 69DOPE C31 8803 3.741 2.726 3.107 -0.0809 -0.1951 0.5266 69DOPE O32 8804 3.732 2.847 3.105 -0.6420 -0.2375 0.2637 69DOPE C32 8805 3.833 2.648 3.200 0.6320 0.2159 0.1711 69DOPE H2X 8806 3.793 2.545 3.192 -4.0817 1.7885 0.3182 69DOPE H2Y 8807 3.936 2.668 3.165 1.0792 1.2509 1.9541 69DOPE C23 8808 3.596 2.328 3.143 0.1235 -0.0200 0.0622 69DOPE H3R 8809 3.602 2.436 3.166 1.6901 -0.0490 -0.1336 69DOPE H3S 8810 3.691 2.289 3.102 -0.1818 0.2848 -0.9552 69DOPE C24 8811 3.569 2.251 3.273 -0.4836 0.4307 0.2066 69DOPE H4R 8812 3.595 2.143 3.266 0.5897 0.6993 -0.1566 69DOPE H4S 8813 3.459 2.265 3.283 -0.9825 -1.6276 -1.5931 69DOPE C25 8814 3.659 2.291 3.390 -0.1402 -0.3241 0.2076 69DOPE H5R 8815 3.646 2.401 3.405 -0.3042 -0.1574 -1.0559 69DOPE H5S 8816 3.768 2.277 3.374 0.0697 -0.4608 1.6580 69DOPE C26 8817 3.631 2.220 3.522 0.1340 0.3313 0.6246 69DOPE H6R 8818 3.645 2.110 3.518 -0.2473 0.2020 2.1023 69DOPE H6S 8819 3.523 2.239 3.541 -0.6758 -0.6437 -2.4970 69DOPE C27 8820 3.705 2.275 3.644 0.1263 0.4542 0.5742 69DOPE H7R 8821 3.675 2.382 3.649 -2.2446 0.1067 -2.8694 69DOPE H7S 8822 3.811 2.244 3.633 -0.0225 -0.8161 2.3560 69DOPE C28 8823 3.655 2.202 3.769 -0.2103 -0.2538 0.0299 69DOPE H8R 8824 3.716 2.109 3.763 -0.2533 -0.2292 -1.1195 69DOPE H8S 8825 3.545 2.188 3.765 -0.1557 -1.4653 1.6790 69DOPE C29 8826 3.691 2.277 3.894 0.0254 -0.1838 -0.0799 69DOPE H9R 8827 3.784 2.332 3.873 0.8200 -0.6257 2.0498 69DOPE C210 8828 3.632 2.280 4.014 -0.4061 0.2270 -0.3008 69DOPE H10R 8829 3.685 2.333 4.095 -1.3950 -0.4392 0.8148 69DOPE C211 8830 3.521 2.187 4.051 -0.1984 0.1543 0.1430 69DOPE H11R 8831 3.509 2.103 3.980 -0.7485 0.1900 0.1848 69DOPE H11S 8832 3.424 2.242 4.045 -0.9342 -1.1014 0.1059 69DOPE C212 8833 3.525 2.142 4.197 0.5502 -0.3257 -0.0192 69DOPE H12R 8834 3.434 2.081 4.219 -0.0998 1.0564 1.3187 69DOPE H12S 8835 3.534 2.237 4.254 -1.3765 -0.7129 1.0255 69DOPE C213 8836 3.644 2.048 4.218 0.5544 -0.3922 -0.3518 69DOPE H13R 8837 3.728 2.098 4.166 0.1360 -0.6950 -1.3566 69DOPE H13S 8838 3.619 1.953 4.165 -0.5677 -0.4481 0.2468 69DOPE C214 8839 3.664 2.012 4.365 0.0553 -0.6736 -0.3476 69DOPE H14R 8840 3.595 1.930 4.394 -0.1867 0.4378 2.5536 69DOPE H14S 8841 3.636 2.101 4.426 0.6055 0.3094 -1.4764 69DOPE C215 8842 3.809 1.988 4.406 -0.0770 -0.0344 0.5446 69DOPE H15R 8843 3.819 2.013 4.513 2.7165 2.3870 -0.1307 69DOPE H15S 8844 3.872 2.054 4.343 1.5330 -2.1004 -0.1421 69DOPE C216 8845 3.845 1.840 4.389 -0.1354 -0.0383 0.4527 69DOPE H16R 8846 3.825 1.804 4.286 0.4973 1.1073 -0.0908 69DOPE H16S 8847 3.793 1.773 4.460 -0.4385 -1.9803 -1.4932 69DOPE C217 8848 3.997 1.830 4.406 -0.1015 -0.0346 0.1554 69DOPE H17R 8849 4.028 1.909 4.478 1.1582 -0.2248 -0.1466 69DOPE H17S 8850 4.048 1.859 4.312 -1.9867 -0.3774 -1.0351 69DOPE C218 8851 4.055 1.698 4.456 0.2353 0.3072 0.6776 69DOPE H18R 8852 4.029 1.628 4.374 0.4490 1.7038 -0.6454 69DOPE H18S 8853 4.018 1.666 4.555 2.6184 -0.4377 1.4069 69DOPE H18T 8854 4.165 1.716 4.456 0.5086 -0.7825 -2.3816 69DOPE C33 8855 3.802 2.702 3.340 -1.1068 -0.1909 -0.0370 69DOPE H3X 8856 3.694 2.709 3.366 -1.2022 2.1149 -0.7932 69DOPE H3Y 8857 3.852 2.801 3.345 1.9681 -1.5771 -1.2945 69DOPE C34 8858 3.872 2.615 3.444 -0.0283 0.3954 -0.2630 69DOPE H4X 8859 3.822 2.631 3.542 0.7252 -0.0756 0.2091 69DOPE H4Y 8860 3.854 2.507 3.425 0.5919 0.1249 0.6097 69DOPE C35 8861 4.018 2.649 3.476 -0.0002 0.0316 0.0058 69DOPE H5X 8862 4.038 2.752 3.513 2.0689 0.0703 -1.0624 69DOPE H5Y 8863 4.073 2.641 3.379 0.5000 1.3181 0.1635 69DOPE C36 8864 4.084 2.543 3.564 0.3633 0.0954 -0.1879 69DOPE H6X 8865 4.052 2.448 3.516 -2.9578 1.3354 -0.7046 69DOPE H6Y 8866 4.193 2.563 3.568 0.3981 -0.1416 0.0587 69DOPE C37 8867 4.026 2.552 3.705 -0.1859 0.1046 -0.4132 69DOPE H7X 8868 4.076 2.637 3.756 0.3527 0.3291 -1.2888 69DOPE H7Y 8869 3.919 2.583 3.696 -0.2625 -0.0693 -0.0930 69DOPE C38 8870 4.036 2.424 3.788 0.0031 0.4271 0.0655 69DOPE H8X 8871 3.984 2.344 3.732 1.5170 -1.1732 0.8407 69DOPE H8Y 8872 4.142 2.392 3.783 0.5203 1.9163 0.8283 69DOPE C39 8873 3.993 2.451 3.929 0.0179 -0.0277 0.1575 69DOPE H9X 8874 3.890 2.489 3.935 0.9574 2.4852 2.1228 69DOPE C310 8875 4.051 2.430 4.048 -0.3302 -0.1021 0.3145 69DOPE H10X 8876 3.999 2.463 4.140 -0.6376 1.0682 -0.2594 69DOPE C311 8877 4.191 2.378 4.059 -0.1455 0.3994 0.3174 69DOPE H11X 8878 4.242 2.424 3.971 -0.9573 -3.1220 -2.1864 69DOPE H11Y 8879 4.187 2.271 4.030 -0.9672 0.6498 -0.5413 69DOPE C312 8880 4.269 2.390 4.190 -0.0186 -0.2204 0.2998 69DOPE H12X 8881 4.222 2.331 4.272 1.5673 0.9058 2.0979 69DOPE H12Y 8882 4.274 2.497 4.220 1.0346 0.4259 -1.9733 69DOPE C313 8883 4.413 2.339 4.179 0.1164 0.0616 0.7271 69DOPE H13X 8884 4.461 2.387 4.091 0.6537 0.1476 1.0670 69DOPE H13Y 8885 4.473 2.346 4.272 -1.9972 -2.3300 2.3917 69DOPE C314 8886 4.415 2.191 4.140 0.2262 0.0871 0.6356 69DOPE H14X 8887 4.339 2.134 4.197 -2.3648 0.1014 -2.4571 69DOPE H14Y 8888 4.394 2.166 4.033 -0.1147 1.3821 0.3796 69DOPE C315 8889 4.556 2.138 4.163 0.4097 0.3492 0.1522 69DOPE H15X 8890 4.542 2.036 4.120 -3.5107 0.6952 0.2143 69DOPE H15Y 8891 4.635 2.187 4.103 -0.3091 1.1659 -0.1454 69DOPE C316 8892 4.585 2.118 4.312 -0.2444 -0.1171 0.2249 69DOPE H16X 8893 4.614 2.216 4.356 3.2461 0.2755 -2.5085 69DOPE H16Y 8894 4.490 2.088 4.361 0.1858 -0.7967 0.6683 69DOPE C317 8895 4.698 2.025 4.357 0.4300 0.4369 -0.3113 69DOPE H17X 8896 4.791 2.069 4.313 1.4931 0.1942 1.5661 69DOPE H17Y 8897 4.682 1.929 4.304 -1.1439 -0.2266 1.2677 69DOPE C318 8898 4.724 2.005 4.506 -0.1205 0.5547 -0.1984 69DOPE H18X 8899 4.630 1.971 4.554 -0.2198 0.2473 -0.6093 69DOPE H18Y 8900 4.802 1.928 4.521 -0.8543 -0.1792 -0.0816 69DOPE H18Z 8901 4.763 2.096 4.557 0.8930 -0.5505 1.0642 70DOPE N 8902 2.200 1.394 2.214 0.1865 0.2216 -0.8109 70DOPE HN1 8903 2.289 1.440 2.185 0.5630 -0.5940 -1.0026 70DOPE HN2 8904 2.132 1.406 2.137 -0.0798 1.1485 -0.4348 70DOPE HN3 8905 2.155 1.420 2.304 -0.0574 1.2316 -1.2201 70DOPE C12 8906 2.235 1.247 2.213 -0.6275 0.0063 0.3447 70DOPE H12A 8907 2.273 1.218 2.113 0.0083 -0.2253 0.6422 70DOPE H12B 8908 2.139 1.195 2.234 0.2864 -1.3531 1.3962 70DOPE C11 8909 2.338 1.206 2.319 0.1914 0.1804 -0.3756 70DOPE H11A 8910 2.438 1.249 2.295 -0.4723 1.4689 -0.9629 70DOPE H11B 8911 2.360 1.097 2.314 -1.1686 -0.0733 -1.8956 70DOPE P 8912 2.406 1.268 2.545 0.2849 0.1015 -0.3357 70DOPE O13 8913 2.448 1.410 2.536 -0.0841 0.2268 -0.1009 70DOPE O14 8914 2.514 1.170 2.524 0.3495 0.2684 -0.7807 70DOPE O11 8915 2.340 1.254 2.690 0.3310 0.5711 -0.2683 70DOPE O12 8916 2.284 1.236 2.447 0.2749 0.0908 -0.3194 70DOPE C1 8917 2.217 1.325 2.712 -0.0707 -0.1455 -0.1808 70DOPE HA 8918 2.145 1.281 2.784 -1.0415 0.3894 -0.8188 70DOPE HB 8919 2.152 1.344 2.625 -1.0801 1.0037 0.8000 70DOPE C2 8920 2.240 1.470 2.756 -0.0607 -0.2712 0.2352 70DOPE HS 8921 2.276 1.526 2.667 1.0112 0.6517 1.2120 70DOPE O21 8922 2.345 1.483 2.852 0.1353 -0.2878 0.0245 70DOPE C21 8923 2.404 1.602 2.857 -0.5627 0.0427 0.5467 70DOPE O22 8924 2.368 1.700 2.793 0.1411 0.3101 0.5544 70DOPE C22 8925 2.528 1.589 2.944 -0.2223 -0.0018 0.0600 70DOPE H2R 8926 2.604 1.523 2.896 1.2258 -0.2954 2.5438 70DOPE H2S 8927 2.511 1.538 3.041 2.5054 -2.0931 -0.4268 70DOPE C3 8928 2.107 1.529 2.807 -0.4509 -0.6677 -0.3116 70DOPE HX 8929 2.026 1.522 2.731 -1.1210 -2.1109 0.5099 70DOPE HY 8930 2.122 1.637 2.828 -0.2008 -0.5995 -0.8177 70DOPE O31 8931 2.073 1.466 2.930 -0.2319 -0.0775 0.0558 70DOPE C31 8932 1.947 1.428 2.951 -0.1674 -0.2072 0.2035 70DOPE O32 8933 1.859 1.420 2.868 0.3455 0.8618 -0.4623 70DOPE C32 8934 1.938 1.383 3.097 0.0764 -0.0045 0.2807 70DOPE H2X 8935 1.991 1.286 3.087 -0.2268 -0.1159 -0.2877 70DOPE H2Y 8936 2.001 1.455 3.154 -1.4666 2.1805 -0.5968 70DOPE C23 8937 2.593 1.723 2.978 0.0523 -0.0539 -0.2552 70DOPE H3R 8938 2.522 1.787 3.035 2.1131 0.8543 1.4246 70DOPE H3S 8939 2.618 1.769 2.880 -1.1978 -1.5638 -1.3312 70DOPE C24 8940 2.723 1.710 3.059 0.0442 -0.4198 -0.2996 70DOPE H4R 8941 2.775 1.808 3.056 -0.1230 -0.2810 0.9084 70DOPE H4S 8942 2.791 1.632 3.020 -0.6694 -2.0849 1.6199 70DOPE C25 8943 2.710 1.686 3.209 0.0845 0.1284 -0.2070 70DOPE H5R 8944 2.644 1.598 3.223 0.0334 -0.0645 -1.5794 70DOPE H5S 8945 2.652 1.772 3.249 -2.0192 -0.5037 -1.7409 70DOPE C26 8946 2.844 1.663 3.280 -0.0566 0.5350 0.1922 70DOPE H6R 8947 2.919 1.732 3.236 1.1700 -1.8930 -1.7332 70DOPE H6S 8948 2.875 1.559 3.257 0.1876 0.8748 -1.0801 70DOPE C27 8949 2.835 1.687 3.431 -0.3321 0.0344 0.2571 70DOPE H7R 8950 2.744 1.633 3.464 -0.6201 -0.0990 -0.7277 70DOPE H7S 8951 2.815 1.795 3.450 -0.9981 0.2267 -1.3628 70DOPE C28 8952 2.966 1.648 3.500 -0.3780 0.2395 0.4613 70DOPE H8R 8953 3.050 1.711 3.463 2.5671 -2.6759 1.7131 70DOPE H8S 8954 2.993 1.546 3.464 -0.7891 -0.4879 2.1081 70DOPE C29 8955 2.956 1.650 3.650 -0.1828 -0.4465 0.4865 70DOPE H9R 8956 2.857 1.682 3.685 -1.0940 -1.9170 -0.6473 70DOPE C210 8957 3.044 1.608 3.742 -0.0032 0.5212 0.7667 70DOPE H10R 8958 3.011 1.626 3.845 -1.7770 -1.8720 0.7170 70DOPE C211 8959 3.178 1.541 3.727 -0.3204 0.0570 -0.1002 70DOPE H11R 8960 3.192 1.524 3.619 -1.3472 2.4137 -0.6819 70DOPE H11S 8961 3.170 1.444 3.781 1.3781 -0.3446 -0.5335 70DOPE C212 8962 3.300 1.604 3.795 -0.5276 -0.3608 0.6796 70DOPE H12R 8963 3.347 1.687 3.738 -0.5053 0.0763 1.3294 70DOPE H12S 8964 3.370 1.518 3.798 -1.6490 -1.2892 1.1254 70DOPE C213 8965 3.269 1.655 3.935 -0.6100 0.2618 0.4369 70DOPE H13R 8966 3.211 1.578 3.990 -1.3502 0.1048 -0.5443 70DOPE H13S 8967 3.206 1.747 3.931 -0.6598 0.1723 -1.3793 70DOPE C214 8968 3.398 1.684 4.012 -0.0279 -0.4838 -0.2358 70DOPE H14R 8969 3.463 1.749 3.950 -0.5949 0.7492 0.4224 70DOPE H14S 8970 3.452 1.588 4.022 0.9363 0.0514 -0.2026 70DOPE C215 8971 3.370 1.758 4.144 0.6135 -0.2057 -0.2511 70DOPE H15R 8972 3.301 1.842 4.121 -2.3103 -2.5111 -0.5516 70DOPE H15S 8973 3.455 1.805 4.197 0.2835 1.9895 -1.5533 70DOPE C216 8974 3.300 1.677 4.253 0.3889 0.6488 0.2496 70DOPE H16R 8975 3.377 1.641 4.324 -0.9694 -1.8403 0.5963 70DOPE H16S 8976 3.246 1.588 4.214 2.1143 -1.0109 1.4316 70DOPE C217 8977 3.192 1.750 4.333 0.0977 0.3578 0.1232 70DOPE H17R 8978 3.146 1.683 4.409 0.4130 0.9408 0.8354 70DOPE H17S 8979 3.111 1.780 4.262 -0.7016 0.5079 1.0716 70DOPE C218 8980 3.237 1.871 4.414 0.6533 0.7002 -0.6913 70DOPE H18R 8981 3.284 1.839 4.509 -0.8805 0.0915 -0.1025 70DOPE H18S 8982 3.143 1.923 4.444 0.7574 0.3900 0.1909 70DOPE H18T 8983 3.298 1.938 4.350 0.4531 -0.1376 -1.7966 70DOPE C33 8984 1.797 1.365 3.153 0.0002 -0.3821 -0.0297 70DOPE H3X 8985 1.741 1.283 3.103 1.0095 -0.6838 -0.6881 70DOPE H3Y 8986 1.743 1.459 3.129 0.7695 0.3758 1.1269 70DOPE C34 8987 1.779 1.334 3.301 -0.2558 -0.0418 0.0126 70DOPE H4X 8988 1.668 1.332 3.314 -0.4405 1.7718 -1.0074 70DOPE H4Y 8989 1.831 1.236 3.314 1.1056 0.6294 -0.3067 70DOPE C35 8990 1.840 1.438 3.395 -0.0110 -0.0245 -0.1643 70DOPE H5X 8991 1.788 1.536 3.389 0.2538 0.2969 1.9592 70DOPE H5Y 8992 1.947 1.454 3.372 0.2414 1.2695 1.6895 70DOPE C36 8993 1.821 1.386 3.538 0.2012 0.1019 -0.0898 70DOPE H6X 8994 1.877 1.291 3.551 -1.3348 -0.7321 0.7843 70DOPE H6Y 8995 1.712 1.371 3.554 -0.4557 1.6698 -2.5615 70DOPE C37 8996 1.876 1.480 3.645 0.0515 -0.2308 0.2853 70DOPE H7X 8997 1.978 1.516 3.616 1.2751 -1.7618 2.4503 70DOPE H7Y 8998 1.823 1.577 3.633 0.7709 0.1793 0.3632 70DOPE C38 8999 1.867 1.419 3.784 0.2908 0.0948 0.4471 70DOPE H8X 9000 1.936 1.333 3.794 0.4157 0.0306 -0.8280 70DOPE H8Y 9001 1.917 1.497 3.845 -0.9607 3.7138 -2.8013 70DOPE C39 9002 1.731 1.379 3.835 -0.0428 0.0860 -0.4292 70DOPE H9X 9003 1.695 1.276 3.821 -0.6661 0.2325 0.0628 70DOPE C310 9004 1.650 1.455 3.910 0.3191 -0.0460 0.1044 70DOPE H10X 9005 1.555 1.417 3.948 1.0062 -0.8992 1.0222 70DOPE C311 9006 1.666 1.600 3.944 0.3199 0.0655 -0.3644 70DOPE H11X 9007 1.579 1.658 3.907 -0.1383 -0.4140 -0.0479 70DOPE H11Y 9008 1.764 1.637 3.908 0.4436 0.2231 0.1266 70DOPE C312 9009 1.690 1.615 4.094 0.0590 -0.0364 -0.3133 70DOPE H12X 9010 1.786 1.569 4.127 -0.4179 0.9049 2.7300 70DOPE H12Y 9011 1.606 1.584 4.161 -0.0611 0.6601 -0.1368 70DOPE C313 9012 1.705 1.763 4.126 0.0180 -0.0458 -0.2500 70DOPE H13X 9013 1.782 1.815 4.064 0.2191 1.3481 1.0902 70DOPE H13Y 9014 1.603 1.807 4.119 0.3495 0.5751 -1.5990 70DOPE C314 9015 1.755 1.783 4.269 -0.0658 0.1181 -0.2432 70DOPE H14X 9016 1.715 1.710 4.342 1.8751 -0.6397 0.1246 70DOPE H14Y 9017 1.865 1.768 4.259 -0.2703 -2.1635 0.4090 70DOPE C315 9018 1.722 1.921 4.328 -0.0526 0.0003 0.0394 70DOPE H15X 9019 1.613 1.938 4.333 0.1733 1.2898 1.5597 70DOPE H15Y 9020 1.758 2.000 4.259 -0.2817 -0.1362 -0.2341 70DOPE C316 9021 1.794 1.954 4.460 -0.3404 0.1994 0.1474 70DOPE H16X 9022 1.904 1.966 4.451 -0.1593 -1.4404 -0.3182 70DOPE H16Y 9023 1.779 1.875 4.537 -0.4832 -0.7482 -0.8245 70DOPE C317 9024 1.744 2.084 4.522 0.5411 0.5790 0.0710 70DOPE H17X 9025 1.792 2.151 4.447 -0.1782 0.2685 -0.6767 70DOPE H17Y 9026 1.633 2.085 4.521 0.5345 -0.1109 -0.2799 70DOPE C318 9027 1.793 2.125 4.661 0.5428 0.0839 0.2163 70DOPE H18X 9028 1.777 2.044 4.736 -0.3945 -0.6088 -0.6927 70DOPE H18Y 9029 1.902 2.146 4.658 0.1280 2.3204 -2.4050 70DOPE H18Z 9030 1.748 2.219 4.700 0.3350 -0.6417 1.8315 71DOPE N 9031 3.405 4.913 2.545 0.0703 -0.4921 0.0186 71DOPE HN1 9032 3.411 4.826 2.602 -0.4127 -0.2802 0.4155 71DOPE HN2 9033 3.316 4.928 2.493 -0.3879 0.2204 0.9776 71DOPE HN3 9034 3.491 4.917 2.487 0.0623 1.0443 0.0722 71DOPE C12 9035 3.405 5.030 2.641 0.7879 0.3667 -1.0030 71DOPE H12A 9036 3.476 5.003 2.722 0.0549 1.5562 0.0786 71DOPE H12B 9037 3.302 5.051 2.679 1.9282 0.5051 2.3791 71DOPE C11 9038 3.448 5.162 2.579 0.3585 0.6647 -0.6752 71DOPE H11A 9039 3.548 5.138 2.537 -0.3329 -2.6155 -0.7285 71DOPE H11B 9040 3.458 5.239 2.659 -0.0854 2.1826 -2.0126 71DOPE P 9041 3.381 5.354 2.436 0.2629 0.1510 0.4280 71DOPE O13 9042 3.277 5.392 2.338 0.0900 -0.6227 0.3079 71DOPE O14 9043 3.519 5.384 2.391 0.2760 -0.1610 0.2556 71DOPE O11 9044 3.354 5.430 2.574 0.4505 -0.4729 0.8141 71DOPE O12 9045 3.364 5.198 2.469 0.4546 -0.1889 -1.0349 71DOPE C1 9046 3.358 5.573 2.572 0.6257 -0.4816 0.5217 71DOPE HA 9047 3.288 5.603 2.653 0.5361 1.2474 -0.1578 71DOPE HB 9048 3.316 5.615 2.478 1.0928 -2.1157 -0.4562 71DOPE C2 9049 3.499 5.624 2.606 0.7117 0.1067 -0.6687 71DOPE HS 9050 3.565 5.611 2.518 0.3813 -0.1075 -0.8855 71DOPE O21 9051 3.551 5.538 2.707 -0.1166 0.3618 -0.0110 71DOPE C21 9052 3.685 5.538 2.711 -0.0847 -1.0151 -0.4697 71DOPE O22 9053 3.756 5.599 2.634 0.4857 -0.0539 0.7883 71DOPE C22 9054 3.730 5.463 2.836 0.0131 0.4764 0.4174 71DOPE H2R 9055 3.724 5.357 2.802 -1.2497 0.6604 0.0174 71DOPE H2S 9056 3.658 5.485 2.918 -0.5962 3.2590 -0.7492 71DOPE C3 9057 3.495 5.772 2.649 -0.2547 0.0495 -0.5368 71DOPE HX 9058 3.451 5.822 2.560 -1.6473 -2.6131 -1.4699 71DOPE HY 9059 3.594 5.815 2.675 -1.0618 1.8793 -0.3344 71DOPE O31 9060 3.407 5.797 2.759 -0.0892 -0.1575 -0.3552 71DOPE C31 9061 3.452 5.780 2.883 0.2560 0.1018 -0.4417 71DOPE O32 9062 3.559 5.730 2.912 0.1690 0.1599 -0.0153 71DOPE C32 9063 3.351 5.830 2.985 0.5207 0.0074 -0.1322 71DOPE H2X 9064 3.394 5.924 3.025 0.0310 0.0959 0.1930 71DOPE H2Y 9065 3.254 5.842 2.932 -0.0490 2.8459 1.3608 71DOPE C23 9066 3.870 5.507 2.876 0.5564 -0.2512 -0.6330 71DOPE H3R 9067 3.860 5.615 2.900 0.8063 -0.3139 -0.2310 71DOPE H3S 9068 3.935 5.489 2.787 1.5358 0.0366 0.0042 71DOPE C24 9069 3.929 5.427 2.993 0.0935 0.3838 0.0450 71DOPE H4R 9070 3.856 5.433 3.077 -1.4973 -0.5479 -1.1873 71DOPE H4S 9071 4.023 5.473 3.028 1.4392 -0.8031 -1.8190 71DOPE C25 9072 3.948 5.277 2.968 -0.2762 0.3483 -0.0300 71DOPE H5R 9073 3.850 5.229 2.945 -0.1894 1.4106 -3.1538 71DOPE H5S 9074 3.992 5.232 3.059 -2.3244 0.5055 1.0885 71DOPE C26 9075 4.020 5.237 2.839 0.3473 0.3183 0.3277 71DOPE H6R 9076 4.124 5.278 2.838 0.7542 -0.6938 -0.5224 71DOPE H6S 9077 3.975 5.262 2.741 4.6625 0.0649 -1.9684 71DOPE C27 9078 4.050 5.088 2.828 -0.3441 0.1551 0.6383 71DOPE H7R 9079 4.087 5.064 2.726 -0.6515 1.4982 0.1900 71DOPE H7S 9080 3.954 5.034 2.839 -0.1351 -1.3472 -3.2854 71DOPE C28 9081 4.142 5.039 2.941 0.2583 0.1111 0.1308 71DOPE H8R 9082 4.070 5.012 3.021 0.5910 -0.4258 0.2533 71DOPE H8S 9083 4.214 5.115 2.980 -0.4402 0.2158 1.2569 71DOPE C29 9084 4.211 4.913 2.898 -0.1516 -0.0712 0.0031 71DOPE H9R 9085 4.289 4.924 2.821 0.5749 0.9871 0.8550 71DOPE C210 9086 4.207 4.799 2.969 0.6350 0.0618 0.2735 71DOPE H10R 9087 4.267 4.713 2.935 0.1767 0.1260 -0.7370 71DOPE C211 9088 4.128 4.775 3.094 0.3022 0.2390 0.1009 71DOPE H11R 9089 4.101 4.667 3.092 0.1968 0.1947 1.8808 71DOPE H11S 9090 4.036 4.836 3.108 -1.0520 -2.0938 2.2717 71DOPE C212 9091 4.204 4.790 3.226 -0.7246 0.2726 0.6965 71DOPE H12R 9092 4.131 4.774 3.309 0.4608 -2.7173 1.2727 71DOPE H12S 9093 4.261 4.884 3.244 -2.0512 1.1121 0.7022 71DOPE C213 9094 4.307 4.679 3.246 -0.1357 0.6305 -0.3155 71DOPE H13R 9095 4.386 4.671 3.168 -0.5263 -1.8699 -0.5354 71DOPE H13S 9096 4.246 4.587 3.245 -1.2228 1.3378 -0.7410 71DOPE C214 9097 4.375 4.679 3.383 0.0939 0.4756 -0.4286 71DOPE H14R 9098 4.443 4.766 3.378 -0.9685 1.2886 -1.2715 71DOPE H14S 9099 4.435 4.585 3.390 -0.0019 0.4185 -0.3757 71DOPE C215 9100 4.286 4.704 3.504 0.2878 0.8013 -0.3514 71DOPE H15R 9101 4.225 4.611 3.512 -0.0418 0.9885 -0.7131 71DOPE H15S 9102 4.215 4.788 3.488 -0.3696 0.1277 -1.0518 71DOPE C216 9103 4.355 4.720 3.640 -0.0151 0.1676 -0.1133 71DOPE H16R 9104 4.409 4.818 3.635 0.9176 -0.1773 2.2039 71DOPE H16S 9105 4.426 4.635 3.648 -0.5041 -0.1205 1.3411 71DOPE C217 9106 4.269 4.713 3.766 0.2567 -0.0005 0.0633 71DOPE H17R 9107 4.321 4.666 3.852 0.9815 0.9090 0.1317 71DOPE H17S 9108 4.192 4.636 3.742 0.0764 0.7856 -2.0920 71DOPE C218 9109 4.214 4.846 3.814 0.2560 0.0655 -0.1199 71DOPE H18R 9110 4.289 4.927 3.826 1.3083 -1.0250 0.8929 71DOPE H18S 9111 4.172 4.825 3.915 0.7290 -0.7650 -0.0935 71DOPE H18T 9112 4.140 4.881 3.739 1.5516 -1.1801 -2.0539 71DOPE C33 9113 3.347 5.727 3.099 0.5653 0.4570 0.2756 71DOPE H3X 9114 3.445 5.697 3.140 1.8526 0.2814 -2.7124 71DOPE H3Y 9115 3.313 5.636 3.045 0.2547 1.0451 -0.5382 71DOPE C34 9116 3.250 5.763 3.213 -0.1280 -0.3636 -0.0452 71DOPE H4X 9117 3.159 5.808 3.168 -0.4922 0.0538 1.0895 71DOPE H4Y 9118 3.297 5.842 3.276 -0.1705 -0.7592 0.4887 71DOPE C35 9119 3.224 5.651 3.313 0.1220 -0.1897 0.2147 71DOPE H5X 9120 3.315 5.610 3.363 -0.3081 0.1770 1.3216 71DOPE H5Y 9121 3.187 5.563 3.256 0.1194 0.0909 -0.2154 71DOPE C36 9122 3.123 5.687 3.422 -0.3162 -0.0898 -0.2256 71DOPE H6X 9123 3.034 5.713 3.360 0.2881 1.3691 -0.5087 71DOPE H6Y 9124 3.152 5.775 3.484 -1.0855 1.1455 -1.5528 71DOPE C37 9125 3.104 5.578 3.528 0.2371 0.1277 0.0965 71DOPE H7X 9126 3.087 5.477 3.485 -0.0384 1.2449 -2.6548 71DOPE H7Y 9127 3.203 5.565 3.577 -0.3405 0.0122 1.2650 71DOPE C38 9128 2.992 5.607 3.627 0.1503 0.1829 -0.0173 71DOPE H8X 9129 2.968 5.512 3.680 0.6127 -1.5227 -2.6990 71DOPE H8Y 9130 2.908 5.632 3.558 1.2275 2.2395 -0.6620 71DOPE C39 9131 3.019 5.717 3.726 0.1689 -0.1394 0.3400 71DOPE H9X 9132 3.104 5.782 3.698 -1.4360 1.8763 -0.0259 71DOPE C310 9133 2.946 5.739 3.836 0.6489 -0.0579 0.6453 71DOPE H10X 9134 2.958 5.824 3.904 0.1895 0.5858 -0.0550 71DOPE C311 9135 2.825 5.662 3.879 0.7246 -0.4514 0.1712 71DOPE H11X 9136 2.799 5.575 3.815 -1.7247 0.5903 -0.3782 71DOPE H11Y 9137 2.735 5.728 3.885 -1.2203 -2.9450 0.3018 71DOPE C312 9138 2.848 5.605 4.019 0.1632 -0.3846 0.2964 71DOPE H12X 9139 2.755 5.551 4.048 0.8190 -0.5251 2.3283 71DOPE H12Y 9140 2.864 5.695 4.082 -2.1811 -0.7324 1.4860 71DOPE C313 9141 2.955 5.495 4.027 -0.0130 -0.6261 -0.5909 71DOPE H13X 9142 2.956 5.433 3.935 -0.4578 0.2071 -1.1790 71DOPE H13Y 9143 3.052 5.548 4.033 -0.9066 1.1496 -0.9909 71DOPE C314 9144 2.929 5.405 4.147 -0.4307 -0.3649 -0.4832 71DOPE H14X 9145 2.940 5.471 4.236 0.1367 0.6808 -1.3047 71DOPE H14Y 9146 2.828 5.360 4.150 -0.5884 -0.0204 2.1390 71DOPE C315 9147 3.040 5.301 4.166 0.1870 0.2722 -0.5514 71DOPE H15X 9148 3.076 5.244 4.077 0.4435 0.1109 -0.3470 71DOPE H15Y 9149 2.988 5.237 4.240 -0.8690 2.0146 0.2699 71DOPE C316 9150 3.168 5.350 4.233 -0.0798 -0.4335 0.4966 71DOPE H16X 9151 3.142 5.441 4.290 -1.2079 -0.3911 -0.0586 71DOPE H16Y 9152 3.232 5.387 4.150 -0.5428 0.7071 0.6281 71DOPE C317 9153 3.245 5.250 4.320 0.3489 -0.3988 0.1598 71DOPE H17X 9154 3.177 5.173 4.362 1.1193 -0.7407 0.8184 71DOPE H17Y 9155 3.287 5.305 4.407 1.4130 -0.6284 -0.1913 71DOPE C318 9156 3.375 5.198 4.259 0.1282 -0.1688 -0.5100 71DOPE H18X 9157 3.427 5.274 4.197 0.6046 -0.7463 -0.8364 71DOPE H18Y 9158 3.437 5.152 4.338 -0.2900 -0.0520 -0.1093 71DOPE H18Z 9159 3.352 5.123 4.179 0.3330 0.6905 -1.3926 72DOPE N 9160 5.615 2.253 2.632 0.3642 0.1422 -0.1400 72DOPE HN1 9161 5.597 2.221 2.730 -3.3388 -0.5669 -0.9052 72DOPE HN2 9162 5.544 2.325 2.612 -0.5557 -0.0053 2.2173 72DOPE HN3 9163 5.631 2.184 2.556 2.6914 0.6213 -0.1767 72DOPE C12 9164 5.755 2.311 2.635 0.4097 0.0087 0.8290 72DOPE H12A 9165 5.786 2.330 2.530 -0.4220 -0.1991 0.5337 72DOPE H12B 9166 5.819 2.239 2.690 2.1411 0.2973 -0.7197 72DOPE C11 9167 5.766 2.446 2.707 -0.0301 0.1193 0.6948 72DOPE H11A 9168 5.858 2.494 2.668 -1.1195 1.3728 -0.4312 72DOPE H11B 9169 5.785 2.425 2.814 -1.7377 -1.3173 0.7536 72DOPE P 9170 5.643 2.661 2.765 -0.1636 -0.0336 0.1165 72DOPE O13 9171 5.515 2.724 2.725 -0.0737 -0.3116 -0.6295 72DOPE O14 9172 5.763 2.742 2.735 -0.2980 -0.0693 -0.5283 72DOPE O11 9173 5.638 2.613 2.918 -0.3231 0.0465 0.1363 72DOPE O12 9174 5.645 2.520 2.689 0.0666 0.0949 -0.1158 72DOPE C1 9175 5.557 2.501 2.955 0.7418 -0.5003 0.8340 72DOPE HA 9176 5.606 2.452 3.043 -0.8584 -2.5488 0.6556 72DOPE HB 9177 5.564 2.419 2.880 1.0546 0.0463 0.2606 72DOPE C2 9178 5.412 2.531 2.995 0.5446 0.1949 -0.3738 72DOPE HS 9179 5.356 2.561 2.904 -0.6767 1.4205 0.7429 72DOPE O21 9180 5.419 2.637 3.090 -0.1390 -0.2134 0.1413 72DOPE C21 9181 5.303 2.696 3.116 0.0502 0.1961 0.0583 72DOPE O22 9182 5.199 2.674 3.057 -0.0779 0.3806 0.2108 72DOPE C22 9183 5.322 2.812 3.213 -0.4310 0.0710 0.3056 72DOPE H2R 9184 5.239 2.882 3.191 -0.5527 -0.0232 0.4627 72DOPE H2S 9185 5.417 2.862 3.186 -0.6565 -0.3099 -1.2899 72DOPE C3 9186 5.331 2.415 3.054 0.4628 0.3107 -0.2597 72DOPE HX 9187 5.334 2.328 2.985 -3.9022 1.9189 -2.9217 72DOPE HY 9188 5.222 2.439 3.055 0.7668 1.7850 0.7636 72DOPE O31 9189 5.373 2.382 3.187 0.3493 -0.4850 -0.4107 72DOPE C31 9190 5.431 2.264 3.210 1.1692 -0.0472 -0.1780 72DOPE O32 9191 5.451 2.177 3.127 -0.1681 -0.1594 -0.4034 72DOPE C32 9192 5.471 2.254 3.356 0.2165 0.8551 0.1579 72DOPE H2X 9193 5.474 2.355 3.403 0.2872 1.4572 -1.1122 72DOPE H2Y 9194 5.391 2.198 3.410 -0.1672 -0.2083 -1.4525 72DOPE C23 9195 5.307 2.755 3.355 -0.4675 -0.1783 0.2021 72DOPE H3R 9196 5.393 2.686 3.371 -0.7266 -1.6185 -3.5145 72DOPE H3S 9197 5.211 2.706 3.381 -2.0372 2.2927 -0.5800 72DOPE C24 9198 5.323 2.871 3.454 -0.5713 -0.1624 0.1994 72DOPE H4R 9199 5.244 2.948 3.448 -0.4303 0.0908 1.3640 72DOPE H4S 9200 5.424 2.914 3.437 -0.1379 -0.9332 0.7557 72DOPE C25 9201 5.331 2.816 3.597 1.3459 -0.3409 0.0450 72DOPE H5R 9202 5.408 2.736 3.601 1.7190 0.0415 3.9072 72DOPE H5S 9203 5.238 2.765 3.628 1.7699 0.3606 2.7409 72DOPE C26 9204 5.353 2.918 3.709 0.0387 0.0732 -0.0633 72DOPE H6R 9205 5.387 2.863 3.800 -2.2077 -0.9016 0.2692 72DOPE H6S 9206 5.256 2.966 3.737 0.4387 0.3859 0.8086 72DOPE C27 9207 5.458 3.024 3.677 0.1660 0.0985 0.4173 72DOPE H7R 9208 5.427 3.085 3.589 -0.4561 1.7167 1.7056 72DOPE H7S 9209 5.559 2.984 3.654 0.4336 0.6571 0.6243 72DOPE C28 9210 5.465 3.120 3.795 -0.1480 0.5233 0.0938 72DOPE H8R 9211 5.359 3.127 3.828 -0.1737 0.5957 -0.0017 72DOPE H8S 9212 5.499 3.221 3.765 -1.5738 0.9715 -0.1258 72DOPE C29 9213 5.545 3.047 3.899 0.4917 0.5763 -0.3568 72DOPE H9R 9214 5.628 2.990 3.855 1.3482 1.6771 -0.2009 72DOPE C210 9215 5.520 3.039 4.031 -0.3422 0.6093 -0.5033 72DOPE H10R 9216 5.595 2.988 4.093 0.4010 1.3830 -0.7484 72DOPE C211 9217 5.416 3.116 4.105 -0.4312 0.1939 -0.1932 72DOPE H11R 9218 5.342 3.168 4.041 0.4787 0.2706 -1.2025 72DOPE H11S 9219 5.458 3.199 4.167 -1.0485 -0.0678 0.5990 72DOPE C212 9220 5.347 3.021 4.203 0.3407 0.4261 0.5915 72DOPE H12R 9221 5.301 2.939 4.144 3.0082 1.0158 -2.5717 72DOPE H12S 9222 5.272 3.084 4.257 -1.8643 0.5858 -2.3631 72DOPE C213 9223 5.424 2.950 4.315 0.5297 -0.0081 0.1872 72DOPE H13R 9224 5.500 2.885 4.266 0.2999 0.4588 -0.8302 72DOPE H13S 9225 5.344 2.886 4.358 -1.0076 1.0660 -0.9215 72DOPE C214 9226 5.484 3.048 4.416 -0.1779 0.2165 0.3978 72DOPE H14R 9227 5.412 3.130 4.439 -1.4462 -0.8939 0.5275 72DOPE H14S 9228 5.571 3.089 4.360 -1.0045 0.1948 -0.9468 72DOPE C215 9229 5.535 2.973 4.539 0.0716 -0.2247 0.0324 72DOPE H15R 9230 5.606 3.042 4.590 1.3307 -1.6161 0.2036 72DOPE H15S 9231 5.593 2.880 4.523 0.6110 0.0226 0.4817 72DOPE C216 9232 5.423 2.926 4.632 -0.0781 0.2404 0.0922 72DOPE H16R 9233 5.345 2.875 4.571 -0.4244 1.7927 -0.8082 72DOPE H16S 9234 5.371 3.021 4.653 0.1405 0.7739 -1.5927 72DOPE C217 9235 5.475 2.845 4.751 0.5527 0.0010 -0.3432 72DOPE H17R 9236 5.497 2.917 4.833 0.6113 1.3395 -1.4886 72DOPE H17S 9237 5.572 2.814 4.705 0.1995 1.0355 -1.8581 72DOPE C218 9238 5.379 2.730 4.783 -0.2368 0.5490 -0.7065 72DOPE H18R 9239 5.352 2.683 4.686 0.6035 -2.8126 0.5532 72DOPE H18S 9240 5.282 2.764 4.825 -0.1718 1.3217 -1.1566 72DOPE H18T 9241 5.433 2.648 4.834 1.0038 0.9403 -1.3534 72DOPE C33 9242 5.610 2.192 3.367 -0.2201 -0.1289 0.2126 72DOPE H3X 9243 5.614 2.091 3.321 -3.8840 -0.9107 1.2965 72DOPE H3Y 9244 5.668 2.266 3.308 -1.9795 0.4174 -0.9048 72DOPE C34 9245 5.668 2.196 3.509 -0.0688 -0.0781 0.1499 72DOPE H4X 9246 5.638 2.288 3.564 0.2248 0.1861 -0.1341 72DOPE H4Y 9247 5.614 2.116 3.564 0.8361 -1.1399 -0.4642 72DOPE C35 9248 5.819 2.177 3.520 -0.0955 -0.3103 0.1371 72DOPE H5X 9249 5.863 2.267 3.472 -1.8147 0.4499 -0.0804 72DOPE H5Y 9250 5.844 2.096 3.449 -0.5098 0.8144 -1.3468 72DOPE C36 9251 5.885 2.161 3.658 0.8634 -0.0333 -0.2811 72DOPE H6X 9252 5.816 2.103 3.723 -1.0178 1.3250 -0.9441 72DOPE H6Y 9253 5.978 2.101 3.655 1.5459 0.7810 2.2707 72DOPE C37 9254 5.913 2.294 3.729 -0.0626 0.0002 0.0344 72DOPE H7X 9255 5.824 2.361 3.730 1.6838 2.4953 -1.4276 72DOPE H7Y 9256 5.991 2.348 3.672 -0.8063 1.0009 -0.0579 72DOPE C38 9257 5.959 2.271 3.873 0.2078 0.0192 -0.0482 72DOPE H8X 9258 5.887 2.228 3.946 0.8734 2.0652 1.9225 72DOPE H8Y 9259 6.034 2.190 3.861 1.4235 1.0695 0.2382 72DOPE C39 9260 6.013 2.391 3.944 0.0291 0.0966 -0.0407 72DOPE H9X 9261 5.984 2.485 3.895 -0.9309 -0.5729 -0.7812 72DOPE C310 9262 6.094 2.380 4.051 0.3653 0.1644 -0.2849 72DOPE H10X 9263 6.121 2.468 4.112 -1.2841 0.9742 -0.6714 72DOPE C311 9264 6.120 2.248 4.117 -0.3186 0.2906 0.2443 72DOPE H11X 9265 6.072 2.163 4.064 -1.2744 0.1939 1.2254 72DOPE H11Y 9266 6.062 2.251 4.212 1.4159 -0.9877 1.4088 72DOPE C312 9267 6.269 2.224 4.143 -0.3847 -0.0167 0.3469 72DOPE H12X 9268 6.312 2.217 4.041 0.0280 0.0250 0.5162 72DOPE H12Y 9269 6.324 2.313 4.181 1.0704 -0.9639 0.5289 72DOPE C313 9270 6.298 2.096 4.221 0.1373 -0.3025 -0.3127 72DOPE H13X 9271 6.234 2.014 4.182 -1.0918 0.7913 -0.6607 72DOPE H13Y 9272 6.265 2.114 4.325 0.0738 -0.4778 -0.3015 72DOPE C314 9273 6.442 2.045 4.206 0.3903 0.2819 0.0839 72DOPE H14X 9274 6.485 2.087 4.113 -2.7174 0.3036 -1.4832 72DOPE H14Y 9275 6.493 2.095 4.290 2.2646 0.9902 -1.4061 72DOPE C315 9276 6.451 1.896 4.238 0.2893 0.2008 -0.2628 72DOPE H15X 9277 6.429 1.877 4.345 -1.5606 -1.8246 -0.9215 72DOPE H15Y 9278 6.382 1.836 4.175 0.4358 -0.1320 -0.1096 72DOPE C316 9279 6.585 1.825 4.212 -0.1078 -0.5601 -0.2645 72DOPE H16X 9280 6.618 1.831 4.106 2.0769 -1.9379 0.2737 72DOPE H16Y 9281 6.562 1.727 4.259 0.4392 -0.0908 1.0457 72DOPE C317 9282 6.704 1.875 4.294 -0.5679 0.3887 -0.1645 72DOPE H17X 9283 6.735 1.980 4.273 0.8292 -0.3246 -1.9654 72DOPE H17Y 9284 6.789 1.813 4.259 0.5098 1.2249 0.8735 72DOPE C318 9285 6.691 1.847 4.443 0.2224 0.2443 -0.1188 72DOPE H18X 9286 6.779 1.894 4.492 1.3515 0.2850 -2.0851 72DOPE H18Y 9287 6.595 1.895 4.472 -0.0265 -0.3393 0.0473 72DOPE H18Z 9288 6.678 1.742 4.478 0.8592 1.5548 4.7325 73DOPE N 9289 0.509 5.122 1.935 -0.1304 -0.8901 0.1476 73DOPE HN1 9290 0.522 5.153 2.033 -2.3181 -0.6404 0.4069 73DOPE HN2 9291 0.576 5.045 1.914 0.9600 0.0820 -0.0064 73DOPE HN3 9292 0.535 5.200 1.871 -2.8452 0.3744 0.4354 73DOPE C12 9293 0.363 5.087 1.918 -0.4301 0.3202 0.1728 73DOPE H12A 9294 0.354 5.011 1.838 0.0844 1.2203 -0.7728 73DOPE H12B 9295 0.315 5.186 1.899 1.3640 0.6771 -3.2993 73DOPE C11 9296 0.300 5.049 2.052 0.0582 0.4143 0.4302 73DOPE H11A 9297 0.344 4.951 2.078 -0.4077 -0.6030 -2.2741 73DOPE H11B 9298 0.192 5.039 2.031 -0.0056 -0.0370 0.9456 73DOPE P 9299 0.215 5.150 2.266 0.3755 -0.1815 0.2465 73DOPE O13 9300 0.208 5.009 2.312 -0.7267 -0.1984 0.0486 73DOPE O14 9301 0.089 5.206 2.212 0.5866 0.0937 0.0424 73DOPE O11 9302 0.269 5.241 2.386 -0.0801 0.1061 0.2362 73DOPE O12 9303 0.318 5.157 2.145 0.5302 0.3558 0.4066 73DOPE C1 9304 0.409 5.269 2.397 -0.0920 0.2504 0.0155 73DOPE HA 9305 0.419 5.360 2.460 -1.3531 1.1497 -1.0098 73DOPE HB 9306 0.456 5.293 2.299 1.5272 -0.4855 0.5820 73DOPE C2 9307 0.480 5.141 2.444 -0.3128 0.1092 -0.0357 73DOPE HS 9308 0.491 5.076 2.355 1.3984 -0.0824 0.2898 73DOPE O21 9309 0.400 5.086 2.550 -0.2218 0.3551 0.1632 73DOPE C21 9310 0.437 4.965 2.594 -0.2126 0.1526 -0.3880 73DOPE O22 9311 0.530 4.896 2.556 0.0353 0.1546 0.2137 73DOPE C22 9312 0.357 4.936 2.720 0.5070 -0.0336 0.0314 73DOPE H2R 9313 0.315 4.834 2.706 1.4182 -0.6268 1.4216 73DOPE H2S 9314 0.277 5.010 2.741 1.6672 1.0026 0.9850 73DOPE C3 9315 0.625 5.174 2.483 -0.3504 0.3499 -0.1022 73DOPE HX 9316 0.662 5.242 2.403 -0.6929 -0.7172 -1.1927 73DOPE HY 9317 0.681 5.078 2.488 -0.3469 0.3761 0.3705 73DOPE O31 9318 0.620 5.236 2.612 -0.0091 0.3893 -0.1081 73DOPE C31 9319 0.728 5.231 2.690 -0.0726 0.1418 -0.0366 73DOPE O32 9320 0.838 5.184 2.665 -0.0919 0.1709 -0.1736 73DOPE C32 9321 0.686 5.294 2.822 0.1071 -0.0944 0.1335 73DOPE H2X 9322 0.627 5.386 2.805 0.7843 0.2492 -0.4144 73DOPE H2Y 9323 0.628 5.213 2.871 1.1366 -1.4174 -0.7419 73DOPE C23 9324 0.456 4.924 2.836 -0.0962 0.0657 0.5677 73DOPE H3R 9325 0.521 5.014 2.834 1.4670 -0.9925 -1.2396 73DOPE H3S 9326 0.527 4.842 2.810 0.0876 0.7507 -1.3046 73DOPE C24 9327 0.397 4.895 2.974 0.0886 -0.2019 0.5906 73DOPE H4R 9328 0.339 4.801 2.964 -0.3240 -0.1076 2.0181 73DOPE H4S 9329 0.340 4.984 3.004 0.6199 1.1959 -2.1620 73DOPE C25 9330 0.498 4.882 3.088 0.6596 0.0678 0.1192 73DOPE H5R 9331 0.566 4.970 3.089 -1.2069 1.6044 -0.8321 73DOPE H5S 9332 0.554 4.788 3.066 -0.2859 -0.3094 -0.7322 73DOPE C26 9333 0.433 4.872 3.225 -0.5109 0.6116 -0.3883 73DOPE H6R 9334 0.375 4.778 3.235 2.2843 -1.0968 0.6160 73DOPE H6S 9335 0.353 4.948 3.240 -1.5779 -0.5317 -0.0974 73DOPE C27 9336 0.534 4.861 3.340 -0.5184 -0.1969 -0.4522 73DOPE H7R 9337 0.620 4.927 3.317 0.9969 -1.4416 1.3801 73DOPE H7S 9338 0.580 4.760 3.345 0.6800 0.3456 -0.1512 73DOPE C28 9339 0.480 4.887 3.481 0.5133 -0.5618 0.0166 73DOPE H8R 9340 0.412 4.803 3.506 0.0870 0.1456 1.3108 73DOPE H8S 9341 0.416 4.977 3.488 0.9856 -0.2457 0.2861 73DOPE C29 9342 0.594 4.886 3.578 -0.0402 -0.1797 0.6768 73DOPE H9R 9343 0.677 4.825 3.541 -0.3744 0.2378 -0.8277 73DOPE C210 9344 0.622 4.979 3.670 -0.2530 0.1362 0.4270 73DOPE H10R 9345 0.703 4.956 3.742 -0.5155 -1.2109 0.3199 73DOPE C211 9346 0.535 5.096 3.707 -0.4265 0.2707 -0.3954 73DOPE H11R 9347 0.534 5.110 3.817 -0.5620 1.0855 -0.4950 73DOPE H11S 9348 0.432 5.075 3.672 -0.3673 -0.4814 -0.1543 73DOPE C212 9349 0.576 5.233 3.655 0.2781 0.2790 0.1584 73DOPE H12R 9350 0.653 5.278 3.721 1.8887 -0.5489 -1.0875 73DOPE H12S 9351 0.478 5.284 3.666 -0.0912 -0.6445 1.3609 73DOPE C213 9352 0.607 5.238 3.505 -0.5428 0.1837 -0.0211 73DOPE H13R 9353 0.677 5.158 3.472 -0.7628 -0.5293 1.1733 73DOPE H13S 9354 0.661 5.333 3.483 0.3449 -0.2637 0.1463 73DOPE C214 9355 0.477 5.244 3.425 -0.2895 -1.1183 -0.5626 73DOPE H14R 9356 0.408 5.311 3.481 0.7516 0.2899 -0.9131 73DOPE H14S 9357 0.429 5.146 3.404 -0.6080 -1.1458 0.2574 73DOPE C215 9358 0.503 5.309 3.289 0.0203 -0.1992 -0.0753 73DOPE H15R 9359 0.573 5.252 3.224 0.6083 -1.0367 1.2312 73DOPE H15S 9360 0.552 5.408 3.296 1.6995 -0.9348 -0.9829 73DOPE C216 9361 0.372 5.321 3.211 -0.0416 -0.2975 0.0133 73DOPE H16R 9362 0.295 5.386 3.259 -0.3407 0.3514 -1.3046 73DOPE H16S 9363 0.328 5.220 3.194 2.3545 -1.3706 -0.1923 73DOPE C217 9364 0.388 5.366 3.066 0.4790 -0.3963 0.0418 73DOPE H17R 9365 0.452 5.294 3.009 0.9738 -0.4559 0.6547 73DOPE H17S 9366 0.445 5.461 3.069 0.4073 -0.3674 0.7052 73DOPE C218 9367 0.254 5.382 2.996 0.5074 -0.0697 0.0615 73DOPE H18R 9368 0.200 5.285 3.001 -2.2279 1.3526 0.1535 73DOPE H18S 9369 0.261 5.409 2.888 -0.3303 -0.1700 -0.0261 73DOPE H18T 9370 0.182 5.451 3.046 0.5292 -0.6228 0.8789 73DOPE C33 9371 0.808 5.338 2.904 0.1978 0.5857 -0.3584 73DOPE H3X 9372 0.888 5.265 2.880 0.1365 0.3716 0.0776 73DOPE H3Y 9373 0.837 5.442 2.878 -2.5393 1.2232 -1.1856 73DOPE C34 9374 0.780 5.346 3.054 0.0922 0.5391 -0.3756 73DOPE H4X 9375 0.695 5.415 3.073 -0.6670 -0.8286 1.5617 73DOPE H4Y 9376 0.754 5.246 3.094 -0.4405 0.1795 -1.5766 73DOPE C35 9377 0.902 5.401 3.128 0.0904 -0.3619 0.3181 73DOPE H5X 9378 0.943 5.487 3.070 -1.1047 -0.1908 -0.3073 73DOPE H5Y 9379 0.980 5.323 3.143 -1.6195 -2.0425 0.9185 73DOPE C36 9380 0.856 5.451 3.265 0.1089 -0.7474 0.4657 73DOPE H6X 9381 0.797 5.544 3.249 -0.1367 -1.0711 -0.5373 73DOPE H6Y 9382 0.801 5.370 3.317 0.1078 0.1179 1.8591 73DOPE C37 9383 0.964 5.489 3.367 0.1988 0.3455 -0.0261 73DOPE H7X 9384 1.023 5.403 3.403 0.2460 1.0065 1.5748 73DOPE H7Y 9385 1.027 5.565 3.316 2.4295 -1.8036 -0.6592 73DOPE C38 9386 0.909 5.553 3.494 0.3316 0.4521 -0.0230 73DOPE H8X 9387 0.880 5.659 3.477 1.2029 0.6988 -0.0084 73DOPE H8Y 9388 0.820 5.497 3.529 -0.6598 1.8703 -0.1980 73DOPE C39 9389 1.028 5.556 3.587 0.3353 -0.1840 -0.0057 73DOPE H9X 9390 1.121 5.592 3.540 0.4237 -0.3359 0.0525 73DOPE C310 9391 1.051 5.502 3.707 -0.0415 -0.0448 0.1313 73DOPE H10X 9392 1.155 5.499 3.742 -0.0358 1.1728 0.2719 73DOPE C311 9393 0.948 5.430 3.790 -0.6356 -0.0617 -0.6085 73DOPE H11X 9394 0.859 5.425 3.725 -1.0408 -0.9915 0.0059 73DOPE H11Y 9395 0.924 5.503 3.870 -1.4463 -0.5376 -0.4143 73DOPE C312 9396 0.983 5.293 3.848 0.0315 0.2532 -0.2592 73DOPE H12X 9397 1.063 5.302 3.925 -0.4405 -0.1838 0.2942 73DOPE H12Y 9398 1.023 5.229 3.766 -0.7398 0.2931 -0.6692 73DOPE C313 9399 0.864 5.231 3.921 0.6253 -0.2775 0.2718 73DOPE H13X 9400 0.814 5.313 3.976 0.8203 -1.2139 1.8927 73DOPE H13Y 9401 0.790 5.190 3.848 2.0734 -2.2159 -0.2065 73DOPE C314 9402 0.890 5.105 4.004 -0.1985 -0.3931 0.3596 73DOPE H14X 9403 0.946 5.033 3.941 -3.4664 -0.9772 -2.1187 73DOPE H14Y 9404 0.794 5.058 4.036 -0.7388 -0.4538 -1.2581 73DOPE C315 9405 0.972 5.153 4.124 -0.3280 0.2481 0.1955 73DOPE H15X 9406 1.078 5.163 4.094 -0.8158 1.2730 -1.2862 73DOPE H15Y 9407 0.939 5.254 4.157 -0.5487 0.4296 -0.5761 73DOPE C316 9408 0.963 5.054 4.240 -0.3065 -0.4128 -0.3640 73DOPE H16X 9409 1.022 4.966 4.207 0.2124 -1.0490 2.0397 73DOPE H16Y 9410 0.861 5.015 4.260 -0.9199 0.4303 -1.7566 73DOPE C317 9411 0.998 5.110 4.378 -0.7065 -0.5618 -0.1998 73DOPE H17X 9412 0.918 5.175 4.421 1.5415 2.6362 -0.4813 73DOPE H17Y 9413 1.091 5.171 4.384 -0.1736 -1.2688 -1.0587 73DOPE C318 9414 1.007 5.007 4.490 -0.2234 0.1445 0.4194 73DOPE H18X 9415 0.906 4.964 4.506 0.2335 -1.2972 -0.4141 73DOPE H18Y 9416 1.087 4.933 4.469 -0.2879 -0.1778 1.2441 73DOPE H18Z 9417 1.036 5.055 4.586 1.3727 1.9517 -0.8846 74DOPE N 9418 0.669 0.803 2.112 -0.2528 0.1246 -0.3019 74DOPE HN1 9419 0.677 0.871 2.034 -0.9374 -0.6238 -1.0452 74DOPE HN2 9420 0.571 0.819 2.142 0.0358 1.7433 -0.1239 74DOPE HN3 9421 0.729 0.830 2.192 -1.8352 -0.8834 1.2874 74DOPE C12 9422 0.695 0.663 2.061 0.1227 -0.1339 0.5872 74DOPE H12A 9423 0.660 0.665 1.956 -0.0660 -2.8561 0.5279 74DOPE H12B 9424 0.634 0.595 2.125 -0.5996 -0.9723 -0.9352 74DOPE C11 9425 0.840 0.617 2.067 0.1947 -0.0036 -0.0821 74DOPE H11A 9426 0.903 0.687 2.008 0.7587 1.4255 2.0966 74DOPE H11B 9427 0.865 0.520 2.019 1.7403 0.9915 -1.4021 74DOPE P 9428 0.919 0.479 2.268 0.0338 0.0856 0.1553 74DOPE O13 9429 1.051 0.424 2.229 -0.0006 -0.0185 0.1854 74DOPE O14 9430 0.803 0.391 2.239 -0.2283 0.3746 0.3199 74DOPE O11 9431 0.912 0.511 2.424 -0.1100 0.0666 0.1531 74DOPE O12 9432 0.892 0.622 2.201 -0.5186 0.0038 0.1964 74DOPE C1 9433 0.833 0.615 2.482 -0.1076 0.1231 0.0552 74DOPE HA 9434 0.746 0.568 2.532 -0.4805 0.6571 -0.0811 74DOPE HB 9435 0.789 0.680 2.404 1.2609 0.8086 -0.1675 74DOPE C2 9436 0.915 0.699 2.581 0.1305 -0.1557 0.0952 74DOPE HS 9437 1.008 0.736 2.532 0.4001 0.3484 0.9639 74DOPE O21 9438 0.949 0.618 2.694 0.2071 0.1307 0.2808 74DOPE C21 9439 1.077 0.583 2.708 0.0977 -0.5550 -0.3573 74DOPE O22 9440 1.172 0.627 2.646 0.2624 -0.5531 -0.1066 74DOPE C22 9441 1.085 0.478 2.818 0.2618 -0.3007 -0.1285 74DOPE H2R 9442 1.019 0.391 2.800 -1.0453 0.4110 1.0060 74DOPE H2S 9443 1.060 0.521 2.918 2.6122 0.1759 0.3135 74DOPE C3 9444 0.833 0.823 2.621 -0.1247 -0.1580 -0.4226 74DOPE HX 9445 0.783 0.864 2.531 2.1546 0.3730 -1.5308 74DOPE HY 9446 0.894 0.907 2.661 -2.2140 1.6990 -0.9101 74DOPE O31 9447 0.730 0.787 2.713 0.2006 0.1873 0.0787 74DOPE C31 9448 0.759 0.828 2.837 -0.4107 0.4099 0.1510 74DOPE O32 9449 0.853 0.900 2.865 -0.3634 0.6527 -0.5979 74DOPE C32 9450 0.650 0.788 2.936 -0.0998 -0.0683 0.3032 74DOPE H2X 9451 0.571 0.866 2.938 0.7617 0.8088 1.1285 74DOPE H2Y 9452 0.604 0.696 2.894 -0.8583 1.7260 -3.1909 74DOPE C23 9453 1.229 0.426 2.821 0.2953 -0.1985 0.1006 74DOPE H3R 9454 1.236 0.360 2.910 0.2569 -0.9020 -0.4076 74DOPE H3S 9455 1.292 0.516 2.814 0.8936 -0.6643 -0.6257 74DOPE C24 9456 1.254 0.336 2.700 0.1127 0.2474 -0.2713 74DOPE H4R 9457 1.214 0.388 2.611 0.7144 -1.6198 -1.6997 74DOPE H4S 9458 1.198 0.240 2.710 -0.0685 0.3214 -0.5766 74DOPE C25 9459 1.402 0.306 2.676 0.1894 0.5987 -0.2430 74DOPE H5R 9460 1.452 0.395 2.632 0.6132 1.6589 2.2521 74DOPE H5S 9461 1.424 0.224 2.603 1.4098 -1.2364 2.0560 74DOPE C26 9462 1.476 0.268 2.804 -0.2427 0.2428 -0.0957 74DOPE H6R 9463 1.424 0.192 2.866 0.3636 -0.0087 0.1224 74DOPE H6S 9464 1.479 0.356 2.871 -0.2865 -0.1205 0.3927 74DOPE C27 9465 1.623 0.232 2.777 -0.2855 -0.3210 0.4044 74DOPE H7R 9466 1.664 0.308 2.708 -0.6220 2.2998 2.8952 74DOPE H7S 9467 1.611 0.143 2.712 0.5733 -0.0709 -0.1025 74DOPE C28 9468 1.714 0.216 2.899 -0.0610 -0.1801 0.2565 74DOPE H8R 9469 1.740 0.316 2.939 2.7621 -0.1594 -1.3691 74DOPE H8S 9470 1.804 0.159 2.869 0.4524 1.6176 -1.8481 74DOPE C29 9471 1.645 0.136 3.007 -0.3752 0.3908 0.4851 74DOPE H9R 9472 1.602 0.045 2.963 1.5594 0.7028 -2.3406 74DOPE C210 9473 1.648 0.145 3.140 0.6225 -0.2270 0.5157 74DOPE H10R 9474 1.579 0.073 3.187 1.1475 -0.6493 0.6524 74DOPE C211 9475 1.712 0.250 3.228 -0.0867 0.6362 0.0166 74DOPE H11R 9476 1.737 0.335 3.161 -1.4168 1.0607 0.0337 74DOPE H11S 9477 1.809 0.205 3.260 -0.1483 -0.0181 -0.6785 74DOPE C212 9478 1.623 0.290 3.345 0.0460 -0.2983 0.4432 74DOPE H12R 9479 1.520 0.315 3.311 0.8558 1.7020 -0.6357 74DOPE H12S 9480 1.663 0.389 3.375 -0.1738 -0.0309 -0.1401 74DOPE C213 9481 1.627 0.199 3.468 0.4426 -0.3051 0.4249 74DOPE H13R 9482 1.727 0.196 3.517 -0.9013 -1.0991 3.4058 74DOPE H13S 9483 1.605 0.094 3.439 -0.8032 0.2720 -0.8141 74DOPE C214 9484 1.529 0.235 3.580 0.1488 -0.5276 0.2409 74DOPE H14R 9485 1.526 0.144 3.643 -0.9347 -1.0728 -0.5603 74DOPE H14S 9486 1.428 0.262 3.541 -0.0035 -0.2742 0.8057 74DOPE C215 9487 1.579 0.363 3.647 0.2649 -0.1973 -0.4660 74DOPE H15R 9488 1.623 0.421 3.563 -0.1102 -1.8342 -1.8469 74DOPE H15S 9489 1.660 0.346 3.721 -0.4519 -0.8895 0.1663 74DOPE C216 9490 1.469 0.452 3.707 0.3084 -0.2233 -0.3482 74DOPE H16R 9491 1.438 0.399 3.799 -0.1540 0.2452 -0.2326 74DOPE H16S 9492 1.392 0.468 3.629 -0.4887 1.4819 0.7234 74DOPE C217 9493 1.506 0.594 3.751 0.1661 -0.2517 -0.1372 74DOPE H17R 9494 1.409 0.641 3.778 -0.7048 -1.3888 -1.1372 74DOPE H17S 9495 1.569 0.637 3.670 0.7998 0.4354 0.7041 74DOPE C218 9496 1.586 0.594 3.881 -0.0904 -0.3890 0.0210 74DOPE H18R 9497 1.680 0.536 3.880 0.1939 0.0762 -0.7961 74DOPE H18S 9498 1.540 0.557 3.976 0.7065 -0.1209 0.5209 74DOPE H18T 9499 1.617 0.697 3.910 1.8045 -1.4456 2.0314 74DOPE C33 9500 0.718 0.779 3.073 -0.1411 0.9177 0.3970 74DOPE H3X 9501 0.764 0.876 3.101 -0.9870 1.5802 -0.4108 74DOPE H3Y 9502 0.787 0.692 3.069 0.1988 1.1645 0.8239 74DOPE C34 9503 0.618 0.742 3.182 -0.0931 0.2655 0.2231 74DOPE H4X 9504 0.548 0.828 3.178 0.1529 0.4707 -4.0691 74DOPE H4Y 9505 0.558 0.649 3.169 0.6706 -0.1841 -0.1941 74DOPE C35 9506 0.673 0.737 3.325 -0.2092 -0.0805 0.2574 74DOPE H5X 9507 0.729 0.832 3.341 0.4183 -0.4562 0.3231 74DOPE H5Y 9508 0.744 0.651 3.332 0.8897 0.6271 -1.4434 74DOPE C36 9509 0.564 0.725 3.431 -0.3801 0.2675 0.1227 74DOPE H6X 9510 0.476 0.790 3.411 0.1334 0.7006 -0.7931 74DOPE H6Y 9511 0.517 0.625 3.445 0.2839 0.0395 0.7908 74DOPE C37 9512 0.607 0.769 3.571 0.1906 -0.1143 0.0694 74DOPE H7X 9513 0.695 0.712 3.610 -0.5353 0.2312 2.3713 74DOPE H7Y 9514 0.630 0.878 3.572 1.9171 -0.4439 0.3890 74DOPE C38 9515 0.503 0.756 3.683 0.0557 -0.2855 -0.0762 74DOPE H8X 9516 0.402 0.781 3.645 -0.0979 1.9596 1.6259 74DOPE H8Y 9517 0.504 0.653 3.726 0.4884 -0.8237 -1.3073 74DOPE C39 9518 0.543 0.848 3.794 0.2903 -0.7360 0.2167 74DOPE H9X 9519 0.650 0.848 3.821 0.4478 -0.7618 -0.4010 74DOPE C310 9520 0.456 0.927 3.859 0.0375 -1.0581 0.2720 74DOPE H10X 9521 0.496 0.989 3.941 -0.7941 1.8093 -1.3787 74DOPE C311 9522 0.308 0.947 3.853 0.0708 -0.6488 0.7283 74DOPE H11X 9523 0.280 1.053 3.833 0.4176 -0.4126 1.4806 74DOPE H11Y 9524 0.269 0.895 3.763 -0.4356 0.5309 0.2354 74DOPE C312 9525 0.244 0.911 3.987 0.1668 0.0735 0.9740 74DOPE H12X 9526 0.137 0.940 3.983 -0.3524 -1.4384 2.6164 74DOPE H12Y 9527 0.301 0.961 4.067 -0.4834 0.8629 0.9583 74DOPE C313 9528 0.231 0.759 3.993 -0.4490 0.0732 -0.0862 74DOPE H13X 9529 0.172 0.715 3.910 -1.0081 -1.7246 1.2080 74DOPE H13Y 9530 0.328 0.705 3.983 -0.2074 0.7407 -1.7525 74DOPE C314 9531 0.169 0.715 4.126 0.1728 0.1400 0.2284 74DOPE H14X 9532 0.065 0.753 4.133 0.1361 -0.0363 0.6618 74DOPE H14Y 9533 0.231 0.764 4.204 -0.3984 0.9003 0.2131 74DOPE C315 9534 0.172 0.563 4.142 0.1907 0.1370 0.1971 74DOPE H15X 9535 0.128 0.515 4.052 -1.5292 0.8387 0.6242 74DOPE H15Y 9536 0.277 0.528 4.142 0.2550 0.3312 0.0823 74DOPE C316 9537 0.098 0.512 4.265 0.0984 0.3440 0.2274 74DOPE H16X 9538 0.156 0.554 4.350 0.3554 0.6027 -0.0770 74DOPE H16Y 9539 -0.003 0.558 4.265 0.9241 2.2653 1.3482 74DOPE C317 9540 0.082 0.360 4.272 -0.0043 0.3630 0.4271 74DOPE H17X 9541 0.019 0.339 4.183 -0.9017 2.0088 0.6311 74DOPE H17Y 9542 0.024 0.336 4.364 0.3422 0.5538 0.7012 74DOPE C318 9543 0.206 0.271 4.261 -0.0743 0.3522 -0.3029 74DOPE H18X 9544 0.238 0.274 4.155 -1.4701 0.2998 -0.7450 74DOPE H18Y 9545 0.292 0.295 4.327 1.0762 -1.4376 -1.0640 74DOPE H18Z 9546 0.176 0.165 4.275 -1.0582 0.8090 1.3404 75DOPE N 9547 3.245 4.697 2.265 -0.2489 0.5093 0.1490 75DOPE HN1 9548 3.218 4.619 2.327 -2.1699 1.3439 0.4350 75DOPE HN2 9549 3.213 4.784 2.312 0.4995 1.4903 -1.0930 75DOPE HN3 9550 3.187 4.696 2.178 -0.6034 2.1844 0.3134 75DOPE C12 9551 3.389 4.672 2.228 -0.2972 -0.1186 0.3737 75DOPE H12A 9552 3.446 4.735 2.299 -2.4740 1.7947 0.5430 75DOPE H12B 9553 3.400 4.701 2.121 -0.9377 -1.0186 0.0479 75DOPE C11 9554 3.437 4.531 2.262 -0.2217 -0.1787 0.0279 75DOPE H11A 9555 3.547 4.521 2.252 -0.4348 -2.0778 -0.7759 75DOPE H11B 9556 3.399 4.456 2.190 -0.6575 -1.9097 1.9652 75DOPE P 9557 3.506 4.514 2.508 0.2134 0.0758 0.4236 75DOPE O13 9558 3.560 4.651 2.494 -0.1271 0.1397 -0.2806 75DOPE O14 9559 3.606 4.404 2.507 -0.1120 -0.2174 0.1728 75DOPE O11 9560 3.415 4.500 2.638 0.1811 -0.1142 0.3811 75DOPE O12 9561 3.398 4.487 2.393 0.3763 0.0378 0.2787 75DOPE C1 9562 3.333 4.383 2.642 0.3355 -0.2395 -0.0718 75DOPE HA 9563 3.406 4.299 2.643 -0.2239 -0.7353 1.1964 75DOPE HB 9564 3.273 4.379 2.549 1.4896 1.0721 -0.9129 75DOPE C2 9565 3.240 4.389 2.765 0.0098 -0.0602 -0.3250 75DOPE HS 9566 3.149 4.441 2.728 -0.2158 -0.6817 -0.6622 75DOPE O21 9567 3.298 4.470 2.867 0.0108 0.2157 -0.5450 75DOPE C21 9568 3.403 4.415 2.929 -0.2187 0.5161 0.1146 75DOPE O22 9569 3.457 4.310 2.900 -0.5031 0.4060 -0.0231 75DOPE C22 9570 3.434 4.501 3.051 -0.4041 0.7029 0.0317 75DOPE H2R 9571 3.393 4.602 3.033 0.4653 0.8066 -1.5848 75DOPE H2S 9572 3.545 4.507 3.052 -0.4881 2.3540 0.7288 75DOPE C3 9573 3.200 4.248 2.812 0.2898 0.2432 0.8543 75DOPE HX 9574 3.291 4.184 2.814 -0.8144 -1.4659 -0.5053 75DOPE HY 9575 3.134 4.211 2.731 0.6657 1.2189 0.0797 75DOPE O31 9576 3.133 4.240 2.937 -0.6992 -0.2912 0.3011 75DOPE C31 9577 3.005 4.278 2.940 -0.6611 -0.1341 -0.0749 75DOPE O32 9578 2.944 4.333 2.849 -0.1151 -0.2221 -0.4975 75DOPE C32 9579 2.937 4.215 3.061 -0.2321 -0.3098 0.0751 75DOPE H2X 9580 2.833 4.254 3.066 -0.8961 -1.7666 -1.2760 75DOPE H2Y 9581 2.906 4.110 3.042 -2.7092 -0.3322 3.3899 75DOPE C23 9582 3.380 4.426 3.173 0.1141 0.0430 -0.1376 75DOPE H3R 9583 3.426 4.324 3.175 0.4401 0.1700 -0.7237 75DOPE H3S 9584 3.270 4.415 3.168 0.2652 -1.4911 -1.0329 75DOPE C24 9585 3.430 4.490 3.302 0.5646 -0.2323 -0.1719 75DOPE H4R 9586 3.366 4.580 3.310 -1.0006 -1.1770 -1.5256 75DOPE H4S 9587 3.539 4.510 3.299 0.5661 0.1768 1.4265 75DOPE C25 9588 3.401 4.396 3.419 -0.3168 0.1391 -0.0846 75DOPE H5R 9589 3.450 4.296 3.414 -1.9747 -0.7195 -0.1627 75DOPE H5S 9590 3.296 4.361 3.408 -0.2458 -1.5817 3.3256 75DOPE C26 9591 3.417 4.482 3.545 0.0276 0.6215 -0.4570 75DOPE H6R 9592 3.348 4.569 3.534 0.2671 1.1443 1.7880 75DOPE H6S 9593 3.524 4.509 3.554 0.6254 -0.8555 -2.2951 75DOPE C27 9594 3.373 4.407 3.671 -0.0406 0.0899 -0.7952 75DOPE H7R 9595 3.463 4.349 3.702 1.2779 2.5451 0.2572 75DOPE H7S 9596 3.284 4.347 3.641 0.1495 -0.5243 -0.1509 75DOPE C28 9597 3.341 4.502 3.785 0.3125 -0.0238 -0.5993 75DOPE H8R 9598 3.249 4.560 3.759 -0.5589 -1.4314 -0.7815 75DOPE H8S 9599 3.427 4.570 3.804 -0.2629 0.1351 1.9064 75DOPE C29 9600 3.323 4.410 3.903 0.3473 0.5183 -0.1631 75DOPE H9R 9601 3.259 4.323 3.883 1.4112 -0.7877 1.7965 75DOPE C210 9602 3.383 4.425 4.021 -0.1710 0.0700 0.1643 75DOPE H10R 9603 3.360 4.350 4.098 0.5136 0.9821 1.3060 75DOPE C211 9604 3.480 4.532 4.063 0.3219 0.0309 -0.8550 75DOPE H11R 9605 3.476 4.627 4.005 0.9739 1.0538 0.7030 75DOPE H11S 9606 3.581 4.486 4.064 -0.9586 -3.0230 -1.1906 75DOPE C212 9607 3.450 4.589 4.202 0.8411 -0.6442 -0.4637 75DOPE H12R 9608 3.345 4.622 4.208 1.0580 -0.2328 2.0564 75DOPE H12S 9609 3.473 4.514 4.280 -1.0166 -0.2527 0.4964 75DOPE C213 9610 3.519 4.721 4.237 -0.2603 -0.3199 0.5406 75DOPE H13R 9611 3.500 4.802 4.164 -0.6734 0.4407 1.4843 75DOPE H13S 9612 3.625 4.702 4.209 -0.2128 1.8191 -0.9994 75DOPE C214 9613 3.516 4.769 4.382 -0.0888 -0.0881 0.4676 75DOPE H14R 9614 3.415 4.798 4.418 -0.4776 1.1605 -1.4748 75DOPE H14S 9615 3.540 4.684 4.449 -0.5059 0.1374 0.9143 75DOPE C215 9616 3.616 4.881 4.413 0.2965 -0.2654 -0.1259 75DOPE H15R 9617 3.721 4.847 4.401 0.5814 -0.2151 1.8776 75DOPE H15S 9618 3.601 4.971 4.350 0.3573 1.0367 1.6537 75DOPE C216 9619 3.603 4.928 4.558 0.0053 -0.1884 -0.1762 75DOPE H16R 9620 3.596 4.845 4.632 1.6897 -0.1263 0.0731 75DOPE H16S 9621 3.499 4.968 4.563 -0.1205 -0.5569 0.2764 75DOPE C217 9622 3.709 5.025 4.608 0.0953 -0.1930 -0.3564 75DOPE H17R 9623 3.806 4.999 4.560 0.9909 2.3708 -0.1102 75DOPE H17S 9624 3.717 5.016 4.719 -2.4575 -0.6155 -0.1543 75DOPE C218 9625 3.690 5.175 4.584 0.3005 -0.1583 -0.3056 75DOPE H18R 9626 3.588 5.212 4.608 -0.2385 -0.8790 -1.3612 75DOPE H18S 9627 3.701 5.190 4.474 -0.5674 1.3387 -0.2201 75DOPE H18T 9628 3.757 5.238 4.646 -1.4640 -0.3687 1.9411 75DOPE C33 9629 3.012 4.244 3.191 -0.1942 0.2150 -0.0609 75DOPE H3X 9630 3.052 4.347 3.179 -1.1548 0.6942 0.6945 75DOPE H3Y 9631 3.098 4.177 3.208 -0.6672 -1.1652 -2.6085 75DOPE C34 9632 2.915 4.232 3.309 -0.1817 -0.2681 -0.0980 75DOPE H4X 9633 2.821 4.287 3.288 -0.9186 -0.7364 1.7436 75DOPE H4Y 9634 2.892 4.124 3.318 -0.4892 -0.1479 0.6210 75DOPE C35 9635 2.976 4.288 3.438 -0.2524 0.6189 -0.4413 75DOPE H5X 9636 3.022 4.387 3.421 0.8272 0.4391 1.2645 75DOPE H5Y 9637 3.055 4.217 3.469 -0.6041 0.2367 -0.3956 75DOPE C36 9638 2.882 4.300 3.559 0.2779 0.1288 0.0243 75DOPE H6X 9639 2.791 4.357 3.530 2.1864 4.7189 2.1424 75DOPE H6Y 9640 2.861 4.194 3.582 -0.2195 0.3741 0.7101 75DOPE C37 9641 2.959 4.356 3.678 0.1114 0.2066 0.0956 75DOPE H7X 9642 2.981 4.459 3.644 -0.2641 -0.0433 -0.9192 75DOPE H7Y 9643 3.052 4.296 3.687 0.5778 1.1186 2.0856 75DOPE C38 9644 2.887 4.357 3.814 -0.1766 -0.2375 -0.0517 75DOPE H8X 9645 2.931 4.436 3.878 0.6796 -0.5801 -0.2031 75DOPE H8Y 9646 2.781 4.366 3.783 0.0355 -0.0789 -0.7666 75DOPE C39 9647 2.898 4.224 3.882 -0.2188 -0.2767 -0.1212 75DOPE H9X 9648 2.846 4.139 3.836 2.3562 -1.1693 -1.6516 75DOPE C310 9649 2.951 4.206 4.004 -0.4170 0.2736 0.0472 75DOPE H10X 9650 2.955 4.105 4.045 -0.8952 0.0011 -0.5641 75DOPE C311 9651 3.025 4.307 4.087 -0.1349 -0.1805 0.3538 75DOPE H11X 9652 3.105 4.260 4.148 -0.5584 -1.7661 -0.2584 75DOPE H11Y 9653 3.078 4.382 4.023 1.7064 -1.7928 -0.0994 75DOPE C312 9654 2.933 4.370 4.191 -0.3123 -0.0230 0.1023 75DOPE H12X 9655 2.861 4.436 4.137 -0.5792 0.2450 0.7806 75DOPE H12Y 9656 2.994 4.437 4.255 -2.6654 -0.0509 2.5410 75DOPE C313 9657 2.868 4.275 4.292 0.2734 -0.3457 0.1754 75DOPE H13X 9658 2.760 4.257 4.275 0.2455 0.3028 -0.3789 75DOPE H13Y 9659 2.921 4.178 4.282 0.3907 -0.3250 0.5973 75DOPE C314 9660 2.888 4.321 4.436 0.4098 0.4164 -0.0807 75DOPE H14X 9661 2.998 4.331 4.450 0.6512 -1.1249 -0.7147 75DOPE H14Y 9662 2.852 4.242 4.506 1.1071 0.7806 0.7060 75DOPE C315 9663 2.827 4.450 4.490 0.8739 0.6795 -0.1820 75DOPE H15X 9664 2.717 4.445 4.476 0.7848 0.8555 0.4162 75DOPE H15Y 9665 2.867 4.530 4.424 0.9404 0.0875 -0.8721 75DOPE C316 9666 2.852 4.471 4.640 0.4864 0.7597 -0.1253 75DOPE H16X 9667 2.957 4.448 4.667 0.4355 -1.1554 -1.3404 75DOPE H16Y 9668 2.791 4.396 4.694 -0.4892 -0.0810 -2.2743 75DOPE C317 9669 2.810 4.612 4.683 -0.6181 0.3708 0.0811 75DOPE H17X 9670 2.707 4.631 4.647 -1.1024 -2.3840 -0.2484 75DOPE H17Y 9671 2.881 4.688 4.646 1.5853 -0.1444 2.8511 75DOPE C318 9672 2.803 4.619 4.836 -0.0858 -0.1407 0.1343 75DOPE H18X 9673 2.778 4.726 4.855 -0.2736 -0.5351 2.3819 75DOPE H18Y 9674 2.727 4.565 4.895 -0.3100 0.5582 0.4927 75DOPE H18Z 9675 2.904 4.599 4.879 -0.3612 0.1057 0.9050 76DOPE N 9676 2.681 4.799 2.340 0.3529 0.1365 0.1583 76DOPE HN1 9677 2.634 4.740 2.411 0.5793 -0.1403 0.0813 76DOPE HN2 9678 2.754 4.847 2.396 -1.2907 0.2667 2.2830 76DOPE HN3 9679 2.612 4.864 2.298 0.3345 -0.0493 -0.1080 76DOPE C12 9680 2.742 4.714 2.231 0.1217 -0.4083 0.4502 76DOPE H12A 9681 2.766 4.780 2.145 -0.0585 1.3408 1.6864 76DOPE H12B 9682 2.665 4.642 2.196 -0.4871 -0.1459 1.2356 76DOPE C11 9683 2.868 4.640 2.277 0.6399 0.2717 0.1428 76DOPE H11A 9684 2.932 4.728 2.297 0.6462 0.5089 -0.8703 76DOPE H11B 9685 2.898 4.576 2.191 -3.7183 0.4458 -1.7537 76DOPE P 9686 2.959 4.487 2.460 0.0800 -0.2296 -0.0919 76DOPE O13 9687 3.081 4.502 2.379 0.1365 -0.1602 0.0063 76DOPE O14 9688 2.922 4.345 2.482 -0.1257 -0.0986 0.4164 76DOPE O11 9689 2.977 4.549 2.607 0.2708 0.0390 -0.2288 76DOPE O12 9690 2.836 4.564 2.394 0.1690 -0.3189 -0.3616 76DOPE C1 9691 2.987 4.691 2.622 0.1116 0.0694 -0.4025 76DOPE HA 9692 2.913 4.747 2.562 0.9846 1.4925 -0.2064 76DOPE HB 9693 3.086 4.734 2.596 0.1191 0.5480 0.3866 76DOPE C2 9694 2.975 4.716 2.773 -0.1699 -0.2268 -0.3745 76DOPE HS 9695 3.048 4.645 2.818 -1.0330 0.8096 2.9013 76DOPE O21 9696 2.849 4.671 2.824 0.1031 0.1840 0.6844 76DOPE C21 9697 2.849 4.618 2.946 -0.3070 -0.1255 0.5506 76DOPE O22 9698 2.948 4.580 3.007 0.2112 0.0219 -0.1916 76DOPE C22 9699 2.715 4.627 3.017 -0.3426 0.7548 0.3807 76DOPE H2R 9700 2.635 4.648 2.943 1.2499 1.0752 -1.3026 76DOPE H2S 9701 2.720 4.717 3.082 0.2299 0.8198 0.2510 76DOPE C3 9702 2.999 4.864 2.808 -0.1884 -0.3851 0.3272 76DOPE HX 9703 2.917 4.920 2.759 0.1067 -0.8290 -0.6957 76DOPE HY 9704 3.094 4.905 2.768 -0.8930 1.8568 0.8291 76DOPE O31 9705 2.984 4.883 2.949 -0.4940 -0.5055 0.3110 76DOPE C31 9706 3.094 4.867 3.022 -0.3082 -0.8032 -0.0323 76DOPE O32 9707 3.207 4.863 2.977 -0.1942 -0.1560 0.1894 76DOPE C32 9708 3.050 4.874 3.167 -0.2304 -0.4918 -0.0236 76DOPE H2X 9709 3.088 4.971 3.205 2.2979 -0.6210 -1.9379 76DOPE H2Y 9710 2.939 4.867 3.174 -0.6228 1.1461 -3.0217 76DOPE C23 9711 2.681 4.504 3.102 0.0199 0.2520 -0.1941 76DOPE H3R 9712 2.768 4.460 3.156 -1.0760 -1.8157 -0.0175 76DOPE H3S 9713 2.645 4.425 3.033 1.8614 0.3956 -1.3895 76DOPE C24 9714 2.572 4.530 3.206 0.3736 0.0846 0.2212 76DOPE H4R 9715 2.525 4.435 3.240 -1.7642 1.0297 0.0714 76DOPE H4S 9716 2.491 4.587 3.156 1.3345 0.2353 -1.2378 76DOPE C25 9717 2.635 4.592 3.331 0.0767 0.5923 0.1201 76DOPE H5R 9718 2.677 4.694 3.316 -1.1437 1.2402 0.9118 76DOPE H5S 9719 2.722 4.529 3.360 1.4179 2.0508 -0.6062 76DOPE C26 9720 2.532 4.601 3.445 -0.1182 -0.1350 0.0034 76DOPE H6R 9721 2.486 4.504 3.473 -0.5474 -0.5103 -1.8536 76DOPE H6S 9722 2.452 4.664 3.401 0.8358 0.5506 -0.8069 76DOPE C27 9723 2.572 4.678 3.571 -0.2365 -0.3756 0.1889 76DOPE H7R 9724 2.478 4.694 3.628 -1.5802 0.4396 -2.0995 76DOPE H7S 9725 2.625 4.769 3.538 0.1191 -0.3050 0.9331 76DOPE C28 9726 2.667 4.607 3.667 -0.5423 -0.2523 0.5876 76DOPE H8R 9727 2.772 4.605 3.630 0.0349 -0.3962 2.1715 76DOPE H8S 9728 2.639 4.501 3.685 -0.4086 -0.6824 -1.4643 76DOPE C29 9729 2.675 4.680 3.798 0.0130 -0.1195 0.4826 76DOPE H9R 9730 2.702 4.787 3.799 -0.5372 0.0174 1.4448 76DOPE C210 9731 2.658 4.627 3.920 -0.1482 -0.4961 0.2989 76DOPE H10R 9732 2.667 4.695 4.006 0.2551 -0.3925 0.1774 76DOPE C211 9733 2.621 4.489 3.964 -0.4314 -0.4760 0.1269 76DOPE H11R 9734 2.717 4.434 3.980 -0.9669 -1.9786 -1.4849 76DOPE H11S 9735 2.575 4.439 3.876 0.5138 -1.2932 0.0816 76DOPE C212 9736 2.525 4.483 4.083 -0.6731 0.4987 -0.0096 76DOPE H12R 9737 2.493 4.378 4.103 1.6188 -0.3299 -0.3058 76DOPE H12S 9738 2.436 4.545 4.062 -1.3380 -0.8178 -1.2524 76DOPE C213 9739 2.591 4.538 4.210 -0.1957 -0.3543 0.1190 76DOPE H13R 9740 2.613 4.643 4.183 -1.1906 -0.3681 -0.8135 76DOPE H13S 9741 2.688 4.489 4.231 -1.2639 -3.9263 -2.2343 76DOPE C214 9742 2.501 4.520 4.333 0.2812 0.1488 0.5432 76DOPE H14R 9743 2.550 4.549 4.428 0.4507 1.5132 0.0677 76DOPE H14S 9744 2.474 4.413 4.325 -0.7074 0.4480 -0.2598 76DOPE C215 9745 2.373 4.603 4.329 -0.0387 -0.3556 0.1535 76DOPE H15R 9746 2.304 4.553 4.401 0.9852 -1.8345 0.1474 76DOPE H15S 9747 2.333 4.584 4.227 2.2044 0.5622 -0.9590 76DOPE C216 9748 2.401 4.751 4.356 0.3402 -0.3150 -0.4643 76DOPE H16R 9749 2.307 4.806 4.333 -1.0031 -2.5848 -0.7239 76DOPE H16S 9750 2.482 4.792 4.290 1.7645 -1.1816 0.6945 76DOPE C217 9751 2.442 4.772 4.502 0.2778 0.0555 -0.4998 76DOPE H17R 9752 2.457 4.882 4.501 -0.1838 0.1361 -2.3866 76DOPE H17S 9753 2.539 4.721 4.518 1.0199 1.6885 0.4332 76DOPE C218 9754 2.346 4.721 4.609 0.2514 -0.2080 -0.6476 76DOPE H18R 9755 2.355 4.610 4.617 0.3870 -0.1061 1.2156 76DOPE H18S 9756 2.241 4.743 4.581 -0.4827 -2.2466 0.2874 76DOPE H18T 9757 2.366 4.772 4.706 1.4667 -1.6473 -0.0978 76DOPE C33 9758 3.112 4.752 3.234 -0.6907 -0.4515 0.4884 76DOPE H3X 9759 3.219 4.774 3.252 -0.2167 -1.8495 -0.4612 76DOPE H3Y 9760 3.107 4.665 3.164 -0.1080 -1.0115 1.1192 76DOPE C34 9761 3.047 4.703 3.364 -0.1815 -0.3469 0.7860 76DOPE H4X 9762 2.939 4.688 3.342 -0.5629 2.2089 0.6500 76DOPE H4Y 9763 3.093 4.610 3.404 2.8429 1.4056 1.6974 76DOPE C35 9764 3.077 4.810 3.469 0.5806 0.1435 0.0853 76DOPE H5X 9765 3.180 4.851 3.462 -0.2262 2.2625 -0.1030 76DOPE H5Y 9766 3.013 4.897 3.446 0.9708 0.1553 -1.0007 76DOPE C36 9767 3.043 4.760 3.610 0.1821 0.0496 -0.0414 76DOPE H6X 9768 2.940 4.720 3.620 0.9778 -1.6834 1.7688 76DOPE H6Y 9769 3.108 4.673 3.634 -1.6148 -1.0259 1.0746 76DOPE C37 9770 3.066 4.866 3.717 -0.3160 0.2969 -0.1782 76DOPE H7X 9771 3.174 4.893 3.723 -0.2026 -0.3019 0.4968 76DOPE H7Y 9772 3.007 4.956 3.691 -0.2678 0.5060 0.4147 76DOPE C38 9773 3.032 4.815 3.857 0.2480 -0.0114 -0.1518 76DOPE H8X 9774 2.921 4.807 3.856 0.2089 -0.1633 1.9229 76DOPE H8Y 9775 3.082 4.716 3.871 3.0598 1.4314 0.6724 76DOPE C39 9776 3.077 4.910 3.964 0.5870 -0.1053 -0.2086 76DOPE H9X 9777 3.131 5.001 3.936 0.2284 -0.1742 -1.1623 76DOPE C310 9778 3.084 4.875 4.093 0.0695 0.0223 -0.1409 76DOPE H10X 9779 3.098 4.957 4.166 -1.0945 -2.3075 2.9402 76DOPE C311 9780 3.025 4.753 4.157 0.1740 0.1707 0.2414 76DOPE H11X 9781 2.915 4.755 4.140 0.4880 2.6656 -2.1198 76DOPE H11Y 9782 3.077 4.667 4.109 0.2050 -0.2433 0.9944 76DOPE C312 9783 3.061 4.759 4.306 0.0425 -0.0092 0.2804 76DOPE H12X 9784 3.169 4.782 4.319 0.3259 -2.3789 3.7153 76DOPE H12Y 9785 3.037 4.661 4.353 2.8639 -1.1284 -0.4132 76DOPE C313 9786 2.974 4.857 4.384 0.2013 0.4163 -0.0758 76DOPE H13X 9787 2.867 4.827 4.388 0.0037 1.1592 0.5990 76DOPE H13Y 9788 2.958 4.948 4.323 0.2900 1.6953 1.7199 76DOPE C314 9789 3.034 4.899 4.518 -0.0338 0.0573 0.1433 76DOPE H14X 9790 3.130 4.949 4.496 0.3496 -1.7183 -2.7686 76DOPE H14Y 9791 3.047 4.812 4.586 0.1569 0.2628 0.3705 76DOPE C315 9792 2.948 5.012 4.575 0.1241 0.1040 0.2896 76DOPE H15X 9793 2.966 5.097 4.505 -0.4693 -0.6503 -0.8066 76DOPE H15Y 9794 2.839 4.993 4.572 0.2196 -0.4057 -2.0729 76DOPE C316 9795 2.994 5.058 4.713 0.2147 0.2579 0.2090 76DOPE H16X 9796 3.100 5.087 4.726 0.0828 0.8750 -0.0434 76DOPE H16Y 9797 2.931 5.148 4.734 -1.0139 -0.4429 -0.3662 76DOPE C317 9798 2.959 4.959 4.824 0.3915 0.0843 0.1091 76DOPE H17X 9799 3.015 4.863 4.827 -1.5283 -1.0816 0.2731 76DOPE H17Y 9800 2.851 4.944 4.802 0.3797 0.9074 -0.4028 76DOPE C318 9801 2.968 5.023 4.963 -0.1819 1.0529 -0.2947 76DOPE H18X 9802 2.877 5.087 4.974 -1.2947 0.1776 -3.3643 76DOPE H18Y 9803 2.962 4.939 5.036 -1.3095 -0.2891 -1.8329 76DOPE H18Z 9804 3.057 5.088 4.971 0.5180 0.0631 0.2490 77DOPE N 9805 0.335 1.761 2.651 -0.1169 -0.6129 0.0842 77DOPE HN1 9806 0.240 1.731 2.622 0.7259 -1.5205 -1.8609 77DOPE HN2 9807 0.359 1.853 2.609 -0.3552 0.0806 1.4060 77DOPE HN3 9808 0.402 1.691 2.613 0.0581 0.0858 -0.9172 77DOPE C12 9809 0.338 1.792 2.799 0.9950 -0.1971 -0.0157 77DOPE H12A 9810 0.357 1.697 2.854 -0.8371 -2.0842 -2.3966 77DOPE H12B 9811 0.237 1.834 2.819 1.4246 1.1285 -0.5691 77DOPE C11 9812 0.433 1.904 2.841 0.0210 0.4678 0.4493 77DOPE H11A 9813 0.535 1.862 2.838 -1.3016 -3.2409 1.4685 77DOPE H11B 9814 0.403 1.938 2.942 -0.7593 -1.2481 0.8199 77DOPE P 9815 0.507 2.137 2.796 0.1901 0.2038 0.2540 77DOPE O13 9816 0.511 2.235 2.685 0.2944 -0.2744 -0.1688 77DOPE O14 9817 0.643 2.093 2.837 0.4688 0.1781 -0.6713 77DOPE O11 9818 0.424 2.201 2.916 -0.3403 0.5274 -0.2802 77DOPE O12 9819 0.424 2.010 2.744 0.1782 0.2398 0.1847 77DOPE C1 9820 0.326 2.304 2.898 -0.5047 0.2820 -0.8005 77DOPE HA 9821 0.231 2.281 2.950 0.2589 -0.3955 0.3489 77DOPE HB 9822 0.302 2.319 2.790 -0.5629 2.6359 -0.4984 77DOPE C2 9823 0.369 2.442 2.950 -0.4203 -0.0357 -0.0086 77DOPE HS 9824 0.451 2.486 2.889 -1.0923 2.3445 0.7123 77DOPE O21 9825 0.407 2.426 3.086 0.8556 0.0259 -0.3419 77DOPE C21 9826 0.456 2.538 3.140 0.3624 0.0447 0.0735 77DOPE O22 9827 0.469 2.643 3.079 -0.2706 0.3849 0.5052 77DOPE C22 9828 0.484 2.513 3.288 -1.4847 0.7721 0.5837 77DOPE H2R 9829 0.534 2.414 3.298 -1.0837 0.8954 -0.1073 77DOPE H2S 9830 0.388 2.509 3.343 -0.1540 1.0892 3.0504 77DOPE C3 9831 0.249 2.537 2.938 -0.1533 0.3522 0.3830 77DOPE HX 9832 0.202 2.519 2.839 -0.1578 2.0876 0.0280 77DOPE HY 9833 0.279 2.644 2.939 0.1860 0.2745 -0.7340 77DOPE O31 9834 0.156 2.522 3.046 0.3144 0.3270 0.7885 77DOPE C31 9835 0.031 2.557 3.015 0.3023 -0.2159 0.1920 77DOPE O32 9836 -0.015 2.593 2.908 -0.1426 -0.5457 0.2671 77DOPE C32 9837 -0.046 2.551 3.146 -0.2171 0.2966 -0.0861 77DOPE H2X 9838 -0.062 2.445 3.172 0.8818 0.8198 3.1932 77DOPE H2Y 9839 0.012 2.605 3.224 1.5494 -0.6741 -0.6799 77DOPE C23 9840 0.575 2.626 3.334 -0.0953 -0.0861 0.0208 77DOPE H3R 9841 0.518 2.721 3.324 -0.3231 -0.3710 -1.6270 77DOPE H3S 9842 0.668 2.634 3.273 0.2049 2.5357 0.6603 77DOPE C24 9843 0.611 2.627 3.483 -0.1028 0.6787 0.0240 77DOPE H4R 9844 0.612 2.519 3.508 0.0451 0.5681 -0.4420 77DOPE H4S 9845 0.533 2.676 3.545 0.2567 0.4001 0.7091 77DOPE C25 9846 0.746 2.693 3.512 0.1670 0.1858 -0.1012 77DOPE H5R 9847 0.754 2.796 3.471 -0.9381 1.4353 2.5787 77DOPE H5S 9848 0.817 2.624 3.462 1.4256 1.1212 0.3406 77DOPE C26 9849 0.774 2.682 3.662 0.3031 -0.5120 -0.1717 77DOPE H6R 9850 0.767 2.575 3.690 -1.6478 -0.5851 -0.8239 77DOPE H6S 9851 0.702 2.744 3.720 -1.1385 -0.8909 -1.5311 77DOPE C27 9852 0.913 2.739 3.694 0.1913 -0.3326 0.0005 77DOPE H7R 9853 0.915 2.845 3.662 -2.6641 0.1291 1.0744 77DOPE H7S 9854 0.991 2.683 3.638 0.1353 -0.0775 -0.3362 77DOPE C28 9855 0.949 2.735 3.843 0.4231 -0.3062 -0.0547 77DOPE H8R 9856 1.053 2.774 3.833 0.0740 1.1710 1.5209 77DOPE H8S 9857 0.945 2.631 3.881 1.9305 0.0491 1.1649 77DOPE C29 9858 0.874 2.824 3.938 0.5132 0.3201 -0.5602 77DOPE H9R 9859 0.765 2.820 3.921 0.1271 0.0133 1.6746 77DOPE C210 9860 0.923 2.928 4.005 -0.7380 0.4232 0.2158 77DOPE H10R 9861 0.854 2.991 4.064 -0.6201 -0.8611 1.8074 77DOPE C211 9862 1.068 2.957 4.029 -0.4454 -0.1057 -0.8677 77DOPE H11R 9863 1.099 3.052 3.982 0.8206 0.8173 1.6355 77DOPE H11S 9864 1.140 2.884 3.986 -1.3964 -0.5228 -1.8005 77DOPE C212 9865 1.101 2.961 4.179 0.0204 0.2660 -0.9792 77DOPE H12R 9866 1.110 2.858 4.219 -0.7350 0.6035 0.0978 77DOPE H12S 9867 1.021 3.002 4.243 1.3878 -0.0423 1.0259 77DOPE C213 9868 1.229 3.040 4.207 -0.0750 0.0989 -0.0507 77DOPE H13R 9869 1.224 3.137 4.153 0.6805 -0.4513 -1.1443 77DOPE H13S 9870 1.317 2.984 4.167 0.6136 1.9690 -1.2797 77DOPE C214 9871 1.247 3.058 4.358 -0.0165 -0.0780 -0.0350 77DOPE H14R 9872 1.355 3.056 4.384 -0.2766 0.2905 1.1269 77DOPE H14S 9873 1.213 2.965 4.407 0.9951 -0.9466 -0.9446 77DOPE C215 9874 1.176 3.179 4.421 0.1961 0.0842 -0.1056 77DOPE H15R 9875 1.067 3.176 4.401 0.0550 -0.1423 0.6729 77DOPE H15S 9876 1.203 3.269 4.362 -2.0849 -0.1229 -1.5719 77DOPE C216 9877 1.204 3.209 4.568 -0.0883 0.3628 -0.1089 77DOPE H16R 9878 1.308 3.248 4.576 -0.2075 0.4685 1.1473 77DOPE H16S 9879 1.192 3.110 4.617 -1.7222 0.3355 -0.5243 77DOPE C217 9880 1.109 3.300 4.646 -0.4559 0.1190 -0.2703 77DOPE H17R 9881 1.154 3.317 4.746 0.4688 -0.0423 -0.6486 77DOPE H17S 9882 1.023 3.233 4.666 1.9250 -3.2313 -0.4839 77DOPE C218 9883 1.056 3.432 4.590 -0.3857 0.2378 -0.0567 77DOPE H18R 9884 1.140 3.496 4.554 -0.5682 0.9225 0.6910 77DOPE H18S 9885 1.003 3.494 4.666 -0.0261 1.3734 -0.7007 77DOPE H18T 9886 0.984 3.403 4.511 0.1280 -0.8511 -0.1371 77DOPE C33 9887 -0.188 2.609 3.137 -0.5155 -0.4521 -0.2214 77DOPE H3X 9888 -0.236 2.568 3.046 0.2746 -1.7873 -0.0708 77DOPE H3Y 9889 -0.167 2.717 3.127 0.6659 -0.7751 -1.5469 77DOPE C34 9890 -0.271 2.594 3.265 0.4139 -0.1957 0.4248 77DOPE H4X 9891 -0.375 2.628 3.246 1.3903 1.9056 -1.6535 77DOPE H4Y 9892 -0.280 2.483 3.267 -1.4920 -0.2355 -2.5818 77DOPE C35 9893 -0.218 2.657 3.394 0.2155 -0.3787 0.5969 77DOPE H5X 9894 -0.198 2.766 3.394 -0.6942 -0.1984 0.3776 77DOPE H5Y 9895 -0.115 2.620 3.413 0.7436 1.5953 1.8610 77DOPE C36 9896 -0.319 2.647 3.508 -0.5256 0.8505 0.0753 77DOPE H6X 9897 -0.408 2.712 3.497 0.1542 1.9791 1.0314 77DOPE H6Y 9898 -0.352 2.543 3.529 0.9869 0.0702 -1.2057 77DOPE C37 9899 -0.243 2.697 3.631 0.3514 -0.5571 0.1324 77DOPE H7X 9900 -0.148 2.640 3.641 1.2616 1.0818 1.3145 77DOPE H7Y 9901 -0.218 2.804 3.614 -1.9372 0.3931 2.1493 77DOPE C38 9902 -0.315 2.687 3.765 -0.0130 0.5365 0.0279 77DOPE H8X 9903 -0.406 2.752 3.768 -0.4706 -0.0983 0.0994 77DOPE H8Y 9904 -0.359 2.586 3.777 -0.9907 0.9094 -0.3185 77DOPE C39 9905 -0.223 2.730 3.876 0.1044 0.4875 -0.0515 77DOPE H9X 9906 -0.129 2.783 3.855 0.0752 2.1962 3.4693 77DOPE C310 9907 -0.259 2.723 4.004 0.2579 0.4596 -0.0089 77DOPE H10X 9908 -0.193 2.765 4.081 0.6537 0.6930 -0.4771 77DOPE C311 9909 -0.383 2.655 4.056 0.6350 -0.5264 -0.3767 77DOPE H11X 9910 -0.467 2.729 4.059 1.3523 0.2766 1.8462 77DOPE H11Y 9911 -0.419 2.588 3.975 -1.2759 -0.5942 0.4750 77DOPE C312 9912 -0.368 2.568 4.180 -0.2730 0.0688 0.1666 77DOPE H12X 9913 -0.296 2.486 4.159 -1.5724 -1.8189 2.5660 77DOPE H12Y 9914 -0.464 2.515 4.200 -0.5033 0.3085 -0.2886 77DOPE C313 9915 -0.324 2.656 4.297 -0.2329 0.7554 -0.3599 77DOPE H13X 9916 -0.230 2.707 4.268 1.0056 -1.8673 -1.2619 77DOPE H13Y 9917 -0.408 2.728 4.309 -0.9904 -0.2872 0.8971 77DOPE C314 9918 -0.303 2.574 4.424 -0.6353 1.0941 -0.0694 77DOPE H14X 9919 -0.293 2.635 4.517 2.7692 1.1768 -0.3572 77DOPE H14Y 9920 -0.215 2.505 4.418 0.5838 2.4346 1.3769 77DOPE C315 9921 -0.424 2.493 4.470 0.2149 -0.3653 -0.3251 77DOPE H15X 9922 -0.497 2.576 4.484 0.9204 0.3385 -0.7798 77DOPE H15Y 9923 -0.478 2.433 4.392 -0.3263 -0.1134 -0.1520 77DOPE C316 9924 -0.427 2.415 4.601 -0.1221 0.2453 0.0356 77DOPE H16X 9925 -0.340 2.344 4.601 0.4317 0.8942 -1.5322 77DOPE H16Y 9926 -0.522 2.358 4.603 -0.0534 0.0768 -0.9874 77DOPE C317 9927 -0.421 2.506 4.723 -0.1146 0.4518 -0.1190 77DOPE H17X 9928 -0.339 2.582 4.718 0.0111 0.2774 -0.6863 77DOPE H17Y 9929 -0.512 2.569 4.728 1.1834 2.3582 0.9806 77DOPE C318 9930 -0.418 2.427 4.854 -0.0458 -0.3039 -0.5746 77DOPE H18X 9931 -0.446 2.491 4.940 -2.6008 0.4597 -1.8842 77DOPE H18Y 9932 -0.506 2.359 4.853 -0.4445 0.2022 -0.9020 77DOPE H18Z 9933 -0.324 2.368 4.865 0.2776 0.5024 1.4260 78DOPE N 9934 5.747 0.863 2.363 0.3727 0.1170 -0.2859 78DOPE HN1 9935 5.658 0.845 2.413 0.0219 1.9063 -0.1904 78DOPE HN2 9936 5.811 0.897 2.437 0.2390 -1.2353 0.4704 78DOPE HN3 9937 5.731 0.945 2.300 0.0504 0.6442 0.4620 78DOPE C12 9938 5.814 0.747 2.294 0.1505 -0.0176 -0.2747 78DOPE H12A 9939 5.767 0.715 2.198 -1.0067 -0.0529 0.2836 78DOPE H12B 9940 5.809 0.660 2.363 1.9906 -0.7062 -0.9437 78DOPE C11 9941 5.962 0.774 2.265 0.1469 -0.0263 -0.3020 78DOPE H11A 9942 6.001 0.696 2.196 0.2476 0.4968 -0.8406 78DOPE H11B 9943 6.017 0.779 2.361 -0.4739 -1.5085 0.1573 78DOPE P 9944 6.135 0.932 2.164 0.3803 0.2189 0.1729 78DOPE O13 9945 6.129 1.037 2.061 0.0697 0.5173 0.4947 78DOPE O14 9946 6.209 0.808 2.132 -0.5212 -0.2611 -0.0907 78DOPE O11 9947 6.180 0.992 2.305 0.2917 0.8323 -0.0600 78DOPE O12 9948 5.982 0.895 2.191 0.3590 -0.0876 -0.3443 78DOPE C1 9949 6.301 1.066 2.324 0.5598 0.2350 0.5993 78DOPE HA 9950 6.295 1.131 2.414 -2.0373 2.1028 -0.7864 78DOPE HB 9951 6.327 1.134 2.240 0.7726 -0.2224 0.2874 78DOPE C2 9952 6.424 0.974 2.343 0.3911 -0.0295 0.4174 78DOPE HS 9953 6.463 0.954 2.241 -0.8453 -0.1071 -0.0640 78DOPE O21 9954 6.379 0.854 2.405 0.2733 -0.1575 0.0897 78DOPE C21 9955 6.474 0.760 2.407 0.2280 -0.1979 0.4147 78DOPE O22 9956 6.585 0.773 2.359 -0.0973 0.4937 -0.1616 78DOPE C22 9957 6.420 0.641 2.486 -0.6098 -0.3108 -0.3064 78DOPE H2R 9958 6.490 0.556 2.475 0.5391 0.5196 0.3139 78DOPE H2S 9959 6.321 0.607 2.449 0.2043 -1.2112 -1.7410 78DOPE C3 9960 6.528 1.058 2.418 0.3355 0.3048 0.1264 78DOPE HX 9961 6.527 1.164 2.383 -0.4489 0.1591 -0.3000 78DOPE HY 9962 6.627 1.017 2.390 0.4529 -0.0286 0.9840 78DOPE O31 9963 6.499 1.043 2.558 0.2170 -0.0058 0.0688 78DOPE C31 9964 6.588 1.101 2.639 0.0111 -0.0391 0.3195 78DOPE O32 9965 6.698 1.142 2.605 0.0077 -0.0563 0.2871 78DOPE C32 9966 6.515 1.120 2.771 0.4320 -0.2930 0.5912 78DOPE H2X 9967 6.406 1.133 2.753 0.0343 -3.4655 0.0121 78DOPE H2Y 9968 6.528 1.033 2.839 1.3174 -2.3503 -2.0248 78DOPE C23 9969 6.428 0.685 2.632 -0.4915 0.0078 -0.4087 78DOPE H3R 9970 6.346 0.748 2.672 -1.5647 -0.7436 -1.3927 78DOPE H3S 9971 6.526 0.735 2.651 0.7064 -1.1492 -3.0562 78DOPE C24 9972 6.429 0.565 2.727 0.3760 0.2552 -0.0954 78DOPE H4R 9973 6.338 0.504 2.710 -0.0342 0.4012 1.3993 78DOPE H4S 9974 6.428 0.600 2.833 0.3121 2.7295 -0.8491 78DOPE C25 9975 6.551 0.472 2.718 0.1306 -0.0544 -0.2175 78DOPE H5R 9976 6.641 0.535 2.700 0.6536 -1.0386 -1.1589 78DOPE H5S 9977 6.544 0.407 2.628 0.3792 0.3104 -0.5035 78DOPE C26 9978 6.554 0.389 2.846 -0.0885 0.7796 0.3404 78DOPE H6R 9979 6.466 0.321 2.847 1.6649 -1.7395 -1.8449 78DOPE H6S 9980 6.535 0.452 2.935 -0.3106 -0.3360 1.1078 78DOPE C27 9981 6.688 0.319 2.869 -0.0485 0.3552 -1.0946 78DOPE H7R 9982 6.728 0.272 2.776 1.0932 1.0174 -0.9469 78DOPE H7S 9983 6.671 0.239 2.945 1.5293 1.6884 0.7618 78DOPE C28 9984 6.803 0.395 2.935 -0.1955 -0.5396 0.2174 78DOPE H8R 9985 6.770 0.473 3.007 -2.8024 -0.5483 -0.8442 78DOPE H8S 9986 6.846 0.449 2.848 0.2674 -0.5158 0.4590 78DOPE C29 9987 6.909 0.303 2.991 0.6187 -0.0350 -0.4761 78DOPE H9R 9988 6.937 0.221 2.923 0.5911 0.1599 -0.7264 78DOPE C210 9989 6.949 0.306 3.119 -0.1555 -0.1645 -0.2237 78DOPE H10R 9990 6.993 0.212 3.157 -0.9617 0.2838 1.9186 78DOPE C211 9991 6.891 0.387 3.231 -0.3777 -0.4695 -0.1154 78DOPE H11R 9992 6.788 0.417 3.201 0.0654 -0.0603 -1.3099 78DOPE H11S 9993 6.957 0.473 3.256 -1.7330 0.9800 -1.2707 78DOPE C212 9994 6.867 0.301 3.355 -0.3107 -0.5559 -0.1620 78DOPE H12R 9995 6.967 0.278 3.398 -0.8329 -1.3737 0.6458 78DOPE H12S 9996 6.817 0.206 3.326 -0.2296 -0.2183 -1.4662 78DOPE C213 9997 6.789 0.370 3.467 0.0872 0.1201 -0.2968 78DOPE H13R 9998 6.693 0.412 3.430 -0.0036 -1.7325 -2.3159 78DOPE H13S 9999 6.851 0.454 3.508 -0.3267 -0.5731 1.8840 78DOPE C21410000 6.753 0.275 3.581 0.1336 0.1271 -0.2762 78DOPE H14R10001 6.843 0.239 3.636 0.0915 1.7895 0.9534 78DOPE H14S10002 6.700 0.185 3.544 1.0405 -1.1440 1.3808 78DOPE C21510003 6.654 0.345 3.674 -0.3830 -0.5054 -0.3396 78DOPE H15R10004 6.553 0.369 3.634 -0.7005 0.7481 1.0901 78DOPE H15S10005 6.693 0.446 3.699 1.8048 -0.7092 -2.5176 78DOPE C21610006 6.649 0.276 3.810 0.2852 0.1179 0.0111 78DOPE H16R10007 6.756 0.273 3.838 0.6866 -0.2165 -1.4996 78DOPE H16S10008 6.611 0.172 3.794 0.6823 0.2215 -1.7339 78DOPE C21710009 6.550 0.352 3.898 -0.2992 -0.3608 -0.2260 78DOPE H17R10010 6.507 0.287 3.978 1.4730 -1.1389 0.1319 78DOPE H17S10011 6.467 0.392 3.835 -0.4243 1.5861 1.0711 78DOPE C21810012 6.609 0.470 3.975 0.0913 -0.4214 -0.4348 78DOPE H18R10013 6.697 0.445 4.040 1.0983 -0.7844 -1.8775 78DOPE H18S10014 6.534 0.499 4.051 0.5397 -1.6563 0.5220 78DOPE H18T10015 6.627 0.545 3.895 -0.7832 -0.2120 -0.4390 78DOPE C3310016 6.580 1.240 2.841 -0.2048 0.5023 -0.1589 78DOPE H3X10017 6.556 1.336 2.790 -1.7294 1.0848 1.5396 78DOPE H3Y10018 6.690 1.227 2.845 -0.4146 -1.1928 1.7359 78DOPE C3410019 6.530 1.249 2.985 0.1147 0.1125 -0.0218 78DOPE H4X10020 6.421 1.262 2.967 -0.1198 0.1271 1.2616 78DOPE H4Y10021 6.557 1.154 3.037 -0.2175 0.2986 0.4993 78DOPE C3510022 6.573 1.370 3.069 -0.0313 0.1686 -0.0282 78DOPE H5X10023 6.531 1.457 3.014 -0.9846 -0.1039 0.2400 78DOPE H5Y10024 6.684 1.376 3.068 -0.0173 0.6937 1.8569 78DOPE C3610025 6.521 1.359 3.213 -0.4256 -0.2206 -0.1956 78DOPE H6X10026 6.422 1.311 3.202 -1.2657 1.3300 0.3848 78DOPE H6Y10027 6.503 1.459 3.256 -0.5007 0.0457 -0.8375 78DOPE C3710028 6.603 1.268 3.305 -0.4401 0.1814 0.2158 78DOPE H7X10029 6.532 1.225 3.379 -1.0717 0.9168 0.0503 78DOPE H7Y10030 6.663 1.196 3.245 1.6515 0.2214 2.1196 78DOPE C3810031 6.708 1.349 3.382 -0.2320 0.2985 -0.1904 78DOPE H8X10032 6.780 1.412 3.325 1.1468 1.0677 2.2522 78DOPE H8Y10033 6.655 1.421 3.447 -0.6165 -1.0630 1.0605 78DOPE C3910034 6.773 1.245 3.469 -0.3162 0.6473 0.2932 78DOPE H9X10035 6.712 1.154 3.477 -0.1608 0.5769 0.6920 78DOPE C31010036 6.887 1.263 3.536 -0.0092 0.1560 -0.0844 78DOPE H10X10037 6.932 1.180 3.593 -0.7115 -0.6604 -0.7088 78DOPE C31110038 6.970 1.388 3.525 0.4221 -0.1372 -0.2053 78DOPE H11X10039 6.919 1.466 3.463 1.6603 1.3225 0.5447 78DOPE H11Y10040 7.071 1.371 3.484 0.8048 -0.0902 0.7025 78DOPE C31210041 6.981 1.461 3.659 -0.6645 -0.4242 0.0514 78DOPE H12X10042 7.064 1.532 3.640 -1.3739 -0.0244 -1.7482 78DOPE H12Y10043 7.013 1.388 3.737 -0.1223 0.4866 0.6941 78DOPE C31310044 6.850 1.533 3.693 -0.5419 -0.1245 -0.1048 78DOPE H13X10045 6.834 1.616 3.622 -0.1040 -1.1973 -1.5122 78DOPE H13Y10046 6.774 1.454 3.676 -1.9629 1.1851 0.0173 78DOPE C31410047 6.840 1.578 3.839 -0.0680 -0.0587 -0.0904 78DOPE H14X10048 6.938 1.625 3.864 0.0701 0.6277 -1.7604 78DOPE H14Y10049 6.757 1.651 3.852 -0.8038 -0.7122 -0.9949 78DOPE C31510050 6.813 1.469 3.942 0.4961 -0.1648 -0.0510 78DOPE H15X10051 6.905 1.407 3.955 0.0909 -0.3766 2.2133 78DOPE H15Y10052 6.726 1.410 3.905 -0.6076 0.7354 1.0098 78DOPE C31610053 6.769 1.524 4.078 0.5615 -0.3331 0.0399 78DOPE H16X10054 6.668 1.569 4.061 0.8272 0.7133 1.0379 78DOPE H16Y10055 6.833 1.607 4.116 0.6885 -0.8790 1.0281 78DOPE C31710056 6.758 1.425 4.194 0.0462 -0.6024 -0.2375 78DOPE H17X10057 6.854 1.372 4.211 0.2706 -0.2012 -0.2483 78DOPE H17Y10058 6.679 1.348 4.178 -1.5258 0.8684 0.1527 78DOPE C31810059 6.718 1.488 4.328 -1.0030 0.1874 -0.8995 78DOPE H18X10060 6.623 1.543 4.312 -0.7829 2.1837 3.5121 78DOPE H18Y10061 6.701 1.405 4.400 3.1278 1.1255 1.4405 78DOPE H18Z10062 6.791 1.557 4.375 -0.7858 -0.5374 -0.1637 79DOPE N10063 3.863 2.326 2.466 -0.1881 -0.1515 -0.2833 79DOPE HN110064 3.884 2.243 2.408 0.1571 0.1928 -0.6548 79DOPE HN210065 3.836 2.292 2.561 -1.7592 1.8085 0.0408 79DOPE HN310066 3.791 2.382 2.417 -0.3320 -0.2442 -0.1794 79DOPE C1210067 3.993 2.400 2.484 -0.2687 -0.0431 -0.1422 79DOPE H12A10068 4.020 2.439 2.384 0.2339 1.2350 0.4680 79DOPE H12B10069 4.068 2.332 2.530 -0.4731 1.2547 2.2471 79DOPE C1110070 3.979 2.517 2.582 -0.2467 -0.2193 0.0735 79DOPE H11A10071 4.072 2.578 2.582 0.7616 -1.6885 0.5481 79DOPE H11B10072 3.957 2.477 2.683 -1.4089 0.9323 0.2984 79DOPE P10073 3.853 2.740 2.606 0.1088 0.5206 -0.2352 79DOPE O1310074 3.709 2.774 2.619 0.0186 -0.0058 0.2034 79DOPE O1410075 3.938 2.826 2.521 -0.0830 0.4191 -0.5323 79DOPE O1110076 3.917 2.716 2.751 0.1786 0.3796 -0.2894 79DOPE O1210077 3.864 2.593 2.544 0.3711 0.5600 -0.2841 79DOPE C110078 3.962 2.829 2.827 -0.0638 -0.0042 0.4270 79DOPE HA10079 3.935 2.803 2.932 -0.8347 1.0962 0.5192 79DOPE HB10080 3.912 2.922 2.792 -1.0094 -0.8464 -0.5693 79DOPE C210081 4.114 2.840 2.809 -0.1175 -0.0457 -0.0836 79DOPE HS10082 4.150 2.842 2.704 0.5883 1.0255 0.1557 79DOPE O2110083 4.161 2.721 2.872 -0.1544 0.0317 0.0909 79DOPE C2110084 4.292 2.702 2.857 -0.1335 0.3474 -0.1176 79DOPE O2210085 4.361 2.764 2.777 -0.1527 0.1608 -0.2793 79DOPE C2210086 4.333 2.592 2.954 0.1094 -0.0177 -0.6290 79DOPE H2R10087 4.320 2.487 2.920 0.9782 -1.4978 3.1123 79DOPE H2S10088 4.275 2.593 3.048 1.5234 3.8565 0.4102 79DOPE C310089 4.176 2.970 2.865 -0.2692 0.0263 -0.0823 79DOPE HX10090 4.092 3.041 2.851 1.2301 1.7924 -0.4156 79DOPE HY10091 4.267 2.997 2.808 0.1802 -0.7388 0.2602 79DOPE O3110092 4.218 2.947 3.000 0.2679 -0.0447 -0.2595 79DOPE C3110093 4.132 2.984 3.095 0.1280 0.1548 -0.4617 79DOPE O3210094 4.033 3.053 3.078 -0.0699 -0.0443 -0.1315 79DOPE C3210095 4.178 2.942 3.234 0.2065 0.0456 -0.5214 79DOPE H2X10096 4.139 3.011 3.311 2.1261 -0.1841 0.7338 79DOPE H2Y10097 4.145 2.839 3.260 1.1791 0.1444 1.2763 79DOPE C2310098 4.481 2.613 2.988 0.0597 -0.4327 -0.1600 79DOPE H3R10099 4.499 2.714 3.031 -0.2206 -0.6887 0.5767 79DOPE H3S10100 4.532 2.604 2.891 0.3292 -0.9923 0.0310 79DOPE C2410101 4.537 2.509 3.086 0.3771 0.1071 0.2387 79DOPE H4R10102 4.643 2.535 3.107 0.0386 1.5886 0.2556 79DOPE H4S10103 4.516 2.407 3.046 0.2285 -0.9061 2.7662 79DOPE C2510104 4.475 2.527 3.224 0.1545 -0.1161 0.1685 79DOPE H5R10105 4.366 2.506 3.217 -0.0908 1.5721 -3.6210 79DOPE H5S10106 4.485 2.629 3.266 0.1590 0.1460 -0.4665 79DOPE C2610107 4.536 2.430 3.326 0.3483 0.1045 0.2660 79DOPE H6R10108 4.644 2.434 3.304 -0.0027 0.3428 -1.6149 79DOPE H6S10109 4.515 2.330 3.282 -1.1163 0.3783 0.2807 79DOPE C2710110 4.486 2.441 3.470 0.4733 -0.1879 0.3333 79DOPE H7R10111 4.375 2.442 3.465 0.5135 1.3096 -1.0949 79DOPE H7S10112 4.519 2.538 3.513 -1.3969 -0.5999 3.0103 79DOPE C2810113 4.539 2.336 3.568 0.6785 0.2502 0.6946 79DOPE H8R10114 4.648 2.352 3.582 0.5858 1.3675 0.2925 79DOPE H8S10115 4.520 2.237 3.522 2.1948 0.9102 -1.5111 79DOPE C2910116 4.460 2.364 3.693 -0.7843 0.1945 -0.1942 79DOPE H9R10117 4.473 2.464 3.737 -2.1256 -0.0788 0.8756 79DOPE C21010118 4.381 2.276 3.756 -0.3400 0.1936 0.3645 79DOPE H10R10119 4.325 2.307 3.846 0.5513 1.3049 0.5756 79DOPE C21110120 4.336 2.143 3.704 -0.1119 0.2107 0.1259 79DOPE H11R10121 4.356 2.140 3.594 -0.6994 1.5195 -0.0405 79DOPE H11S10122 4.227 2.121 3.709 0.0014 -0.5816 -0.6756 79DOPE C21210123 4.417 2.029 3.764 -0.2095 0.0641 -0.0185 79DOPE H12R10124 4.385 2.014 3.870 -0.6231 -0.0869 -0.1663 79DOPE H12S10125 4.526 2.053 3.766 -0.5014 1.6969 -1.5779 79DOPE C21310126 4.407 1.902 3.679 0.2427 -0.2596 0.4033 79DOPE H13R10127 4.430 1.928 3.574 -2.5064 0.6273 -0.0424 79DOPE H13S10128 4.306 1.857 3.673 0.1756 0.0358 -0.9167 79DOPE C21410129 4.485 1.788 3.745 0.2877 -0.3277 0.2315 79DOPE H14R10130 4.442 1.777 3.847 -0.7651 1.7226 0.0678 79DOPE H14S10131 4.591 1.821 3.744 -0.2091 1.4030 -1.4471 79DOPE C21510132 4.486 1.649 3.682 -0.3410 -0.1626 -0.1466 79DOPE H15R10133 4.513 1.652 3.574 -1.3192 -2.4590 -0.5301 79DOPE H15S10134 4.381 1.615 3.670 -0.6123 1.4504 -3.8525 79DOPE C21610135 4.560 1.543 3.764 -0.5172 -0.0814 0.1178 79DOPE H16R10136 4.529 1.543 3.870 -0.9611 -0.6731 -0.0099 79DOPE H16S10137 4.669 1.564 3.768 -0.3752 -0.4015 -1.4615 79DOPE C21710138 4.544 1.406 3.698 -0.1465 0.1270 -0.4108 79DOPE H17R10139 4.554 1.430 3.590 1.2756 -0.5954 -0.4669 79DOPE H17S10140 4.450 1.354 3.726 -0.4626 0.1902 -1.3015 79DOPE C21810141 4.665 1.318 3.731 -0.2532 0.2531 0.3170 79DOPE H18R10142 4.669 1.228 3.667 -1.3620 -0.3064 1.0044 79DOPE H18S10143 4.669 1.281 3.836 -0.6710 -1.7681 -0.3431 79DOPE H18T10144 4.759 1.375 3.715 0.0470 0.3955 2.3269 79DOPE C3310145 4.329 2.956 3.257 0.1481 0.2966 -0.2947 79DOPE H3X10146 4.365 3.047 3.204 1.2035 -1.3890 -2.6378 79DOPE H3Y10147 4.378 2.873 3.202 1.4474 -0.4264 1.8366 79DOPE C3410148 4.371 2.955 3.404 0.1766 -0.6180 -0.3065 79DOPE H4X10149 4.481 2.961 3.397 0.2832 -0.8018 0.8522 79DOPE H4Y10150 4.335 3.050 3.448 -0.4733 0.2710 -2.6263 79DOPE C3510151 4.328 2.834 3.489 -0.1988 -0.1841 0.1287 79DOPE H5X10152 4.375 2.751 3.432 0.2763 -1.2357 1.9823 79DOPE H5Y10153 4.218 2.821 3.479 -0.0725 -0.3976 -1.1620 79DOPE C3610154 4.364 2.830 3.637 -0.1143 -0.2018 0.1077 79DOPE H6X10155 4.323 2.735 3.678 -0.0176 -0.8289 -1.2062 79DOPE H6Y10156 4.474 2.825 3.647 -0.2766 0.2024 2.8645 79DOPE C3710157 4.312 2.953 3.711 0.4087 0.2158 -0.2199 79DOPE H7X10158 4.338 3.057 3.680 -1.1218 1.1132 1.3372 79DOPE H7Y10159 4.205 2.953 3.681 -0.0164 -1.4162 1.1952 79DOPE C3810160 4.318 2.937 3.863 -0.0798 -0.1888 -0.2404 79DOPE H8X10161 4.425 2.916 3.886 -0.0161 -0.2943 -0.6230 79DOPE H8Y10162 4.284 3.031 3.912 -1.8025 -0.2826 -1.1879 79DOPE C3910163 4.225 2.837 3.924 -0.0977 0.2270 0.4273 79DOPE H9X10164 4.116 2.844 3.912 -0.4660 -3.6710 -0.0165 79DOPE C31010165 4.267 2.730 3.993 0.4041 0.2119 0.1064 79DOPE H10X10166 4.193 2.659 4.035 1.3132 -1.2277 -0.6338 79DOPE C31110167 4.409 2.689 4.016 0.0495 -0.7509 0.6522 79DOPE H11X10168 4.475 2.710 3.929 -1.3245 -0.3544 -0.3175 79DOPE H11Y10169 4.417 2.578 4.011 -0.7814 -0.7709 -0.6085 79DOPE C31210170 4.468 2.751 4.143 -0.0105 -0.2711 0.4471 79DOPE H12X10171 4.403 2.733 4.231 0.7171 -2.1285 0.6595 79DOPE H12Y10172 4.487 2.859 4.125 0.0229 0.1035 2.4433 79DOPE C31310173 4.601 2.688 4.183 0.0263 -0.5745 -0.1355 79DOPE H13X10174 4.595 2.578 4.191 -1.0617 -0.7070 -2.2899 79DOPE H13Y10175 4.679 2.706 4.106 0.8438 -1.5931 0.4336 79DOPE C31410176 4.650 2.757 4.311 -0.2846 -0.7325 0.0700 79DOPE H14X10177 4.598 2.694 4.386 -0.1001 -0.3574 0.5194 79DOPE H14Y10178 4.615 2.862 4.305 -1.6346 -1.2611 -2.9794 79DOPE C31510179 4.801 2.749 4.334 -0.1768 -0.2045 -0.4149 79DOPE H15X10180 4.833 2.643 4.332 -2.0898 -0.8002 -0.5867 79DOPE H15Y10181 4.859 2.807 4.259 0.2694 0.9593 0.7853 79DOPE C31610182 4.847 2.813 4.465 0.0367 -0.5634 -0.3122 79DOPE H16X10183 4.770 2.791 4.541 0.5415 0.3692 0.5045 79DOPE H16Y10184 4.848 2.924 4.454 -2.6568 -0.7223 -3.9521 79DOPE C31710185 4.989 2.774 4.508 0.1866 -0.2277 -0.4971 79DOPE H17X10186 5.000 2.663 4.509 -1.5660 -0.5353 -3.0959 79DOPE H17Y10187 5.060 2.821 4.436 -0.5584 -0.4630 -1.4087 79DOPE C31810188 5.026 2.815 4.650 0.0203 -0.0172 -0.5133 79DOPE H18X10189 5.005 2.923 4.661 -1.1011 -0.1110 -1.5742 79DOPE H18Y10190 4.955 2.758 4.714 -0.5224 -2.2751 -2.9656 79DOPE H18Z10191 5.133 2.799 4.676 0.0688 -0.3627 -0.9090 80DOPE N10192 3.654 4.246 2.737 0.4574 0.2592 0.2330 80DOPE HN110193 3.735 4.298 2.778 0.5991 -0.7807 1.3258 80DOPE HN210194 3.642 4.292 2.645 0.0708 -0.4534 -0.0782 80DOPE HN310195 3.576 4.264 2.804 0.0214 -0.1605 -0.1603 80DOPE C1210196 3.679 4.097 2.727 -0.1177 0.1914 -0.1975 80DOPE H12A10197 3.702 4.070 2.832 1.3626 2.0544 0.0165 80DOPE H12B10198 3.772 4.092 2.667 0.1715 -0.1570 0.2706 80DOPE C1110199 3.562 4.018 2.668 -0.1404 -0.0459 0.1625 80DOPE H11A10200 3.490 4.025 2.753 2.3104 2.6351 2.2100 80DOPE H11B10201 3.604 3.918 2.646 -0.4465 -0.1014 -0.1765 80DOPE P10202 3.381 4.000 2.502 -0.0414 -0.0650 0.0949 80DOPE O1310203 3.418 3.860 2.473 -0.4411 -0.2316 0.3752 80DOPE O1410204 3.324 4.080 2.391 0.0253 0.7049 0.6100 80DOPE O1110205 3.275 3.994 2.621 -0.3188 0.0140 -0.1465 80DOPE O1210206 3.507 4.084 2.554 0.5804 -0.6018 -0.5171 80DOPE C110207 3.176 3.890 2.613 -0.2334 -0.0540 -0.3231 80DOPE HA10208 3.181 3.843 2.513 0.1150 3.1927 -1.9869 80DOPE HB10209 3.083 3.949 2.629 0.0027 0.3110 -0.2699 80DOPE C210210 3.186 3.791 2.730 -0.2845 -0.1962 -0.4396 80DOPE HS10211 3.083 3.757 2.757 0.3311 -0.1385 2.2535 80DOPE O2110212 3.260 3.836 2.844 -0.4048 -0.0535 -0.4173 80DOPE C2110213 3.174 3.905 2.920 -0.0838 0.4650 -0.5244 80DOPE O2210214 3.054 3.912 2.903 -0.1358 0.1880 -0.2750 80DOPE C2210215 3.246 3.955 3.044 -0.3329 0.2424 -0.2874 80DOPE H2R10216 3.269 4.064 3.039 0.3567 0.1006 -0.3984 80DOPE H2S10217 3.345 3.906 3.051 0.5718 2.1700 1.6223 80DOPE C310218 3.256 3.660 2.690 -0.4577 -0.4249 -0.0014 80DOPE HX10219 3.358 3.695 2.663 -1.0666 0.8746 -0.6711 80DOPE HY10220 3.216 3.616 2.597 2.4019 -0.0402 -1.5294 80DOPE O3110221 3.271 3.555 2.786 -0.1097 -0.4383 -0.0696 80DOPE C3110222 3.161 3.481 2.790 -0.1824 -0.3367 -0.1846 80DOPE O3210223 3.055 3.504 2.733 -0.1811 0.1937 0.0171 80DOPE C3210224 3.199 3.358 2.872 0.5061 0.4417 0.6926 80DOPE H2X10225 3.203 3.270 2.805 -1.6160 0.1614 0.8493 80DOPE H2Y10226 3.297 3.367 2.922 0.0611 1.9041 1.3660 80DOPE C2310227 3.172 3.918 3.172 0.3176 -0.0476 0.0096 80DOPE H3R10228 3.164 3.808 3.169 1.9203 -0.2632 1.5757 80DOPE H3S10229 3.072 3.961 3.150 -0.1291 -2.1297 -2.4340 80DOPE C2410230 3.244 3.964 3.299 0.3698 -0.3718 0.0971 80DOPE H4R10231 3.250 4.074 3.285 -3.2373 -0.1149 -0.3203 80DOPE H4S10232 3.348 3.925 3.310 0.2106 -0.5053 1.2557 80DOPE C2510233 3.166 3.924 3.424 -0.2803 0.1867 -0.1236 80DOPE H5R10234 3.148 3.815 3.414 -2.3718 0.6710 -2.3991 80DOPE H5S10235 3.072 3.982 3.423 -0.9031 -0.6900 1.7493 80DOPE C2610236 3.230 3.951 3.561 -0.0199 0.0722 -0.2224 80DOPE H6R10237 3.268 4.053 3.580 1.5511 -0.6305 0.6881 80DOPE H6S10238 3.328 3.898 3.561 0.1571 0.3351 -1.9178 80DOPE C2710239 3.138 3.907 3.674 -0.3111 0.6340 -0.2415 80DOPE H7R10240 3.135 3.796 3.671 -1.0170 0.6453 -0.2804 80DOPE H7S10241 3.033 3.944 3.669 -1.0277 -1.2450 0.1574 80DOPE C2810242 3.197 3.951 3.808 0.3493 -0.1301 -0.2705 80DOPE H8R10243 3.119 3.923 3.882 1.4247 -0.5900 0.7118 80DOPE H8S10244 3.214 4.061 3.808 -2.6075 0.5477 3.0498 80DOPE C2910245 3.322 3.880 3.851 0.3547 0.3792 0.5830 80DOPE H9R10246 3.311 3.775 3.881 1.1638 0.2685 0.4992 80DOPE C21010247 3.441 3.939 3.869 0.4882 0.1757 0.3697 80DOPE H10R10248 3.522 3.874 3.903 -1.7559 -1.9189 1.9952 80DOPE C21110249 3.466 4.087 3.860 -0.3187 0.3257 0.4987 80DOPE H11R10250 3.420 4.141 3.946 -0.5747 2.1972 -0.7444 80DOPE H11S10251 3.411 4.112 3.767 -1.7021 -0.6805 1.0048 80DOPE C21210252 3.616 4.109 3.839 -0.3402 -0.0861 -0.0998 80DOPE H12R10253 3.678 4.067 3.921 -1.3472 -2.1253 -0.3246 80DOPE H12S10254 3.632 4.218 3.829 -1.0717 -0.0030 -0.4070 80DOPE C21310255 3.681 4.056 3.711 0.4263 0.3192 0.1142 80DOPE H13R10256 3.645 3.955 3.683 0.6543 0.0325 0.8353 80DOPE H13S10257 3.790 4.055 3.729 0.1206 0.4471 2.2458 80DOPE C21410258 3.651 4.135 3.583 0.0032 -0.0525 -0.0205 80DOPE H14R10259 3.644 4.244 3.602 -0.7521 0.2249 -1.7493 80DOPE H14S10260 3.557 4.102 3.535 0.3384 1.4567 -1.8295 80DOPE C21510261 3.766 4.107 3.487 0.2346 0.3952 0.1233 80DOPE H15R10262 3.769 3.996 3.487 0.2970 0.3961 0.1230 80DOPE H15S10263 3.863 4.156 3.512 0.2356 0.7069 -0.4683 80DOPE C21610264 3.749 4.156 3.342 0.1834 -0.0279 -0.0143 80DOPE H16R10265 3.845 4.138 3.289 0.3362 -1.8490 0.7828 80DOPE H16S10266 3.735 4.266 3.344 1.3681 0.1479 -0.2389 80DOPE C21710267 3.632 4.093 3.267 0.0970 0.1112 0.0032 80DOPE H17R10268 3.528 4.118 3.296 -0.3402 -2.2108 0.6470 80DOPE H17S10269 3.632 3.982 3.280 0.1552 0.2521 1.3446 80DOPE C21810270 3.636 4.115 3.116 -0.2008 0.2313 0.0125 80DOPE H18R10271 3.621 4.223 3.094 1.4974 0.3926 -0.5519 80DOPE H18S10272 3.563 4.052 3.062 0.0672 2.4931 -3.2876 80DOPE H18T10273 3.732 4.097 3.062 -0.3703 -0.7133 0.0258 80DOPE C3310274 3.097 3.345 2.986 0.1848 -0.4111 0.3208 80DOPE H3X10275 3.092 3.240 3.022 0.9599 -1.4742 -2.4015 80DOPE H3Y10276 2.995 3.354 2.943 -1.0286 -3.3441 2.3112 80DOPE C3410277 3.102 3.444 3.102 -0.1074 -0.1927 0.1499 80DOPE H4X10278 3.118 3.547 3.063 1.0945 -0.2772 0.3792 80DOPE H4Y10279 3.001 3.455 3.146 0.5144 2.3277 1.1918 80DOPE C3510280 3.207 3.409 3.209 0.0815 -0.5115 -0.1390 80DOPE H5X10281 3.309 3.421 3.167 -0.3614 -1.4008 -1.5595 80DOPE H5Y10282 3.203 3.301 3.236 0.8754 -0.5475 -0.1643 80DOPE C3610283 3.189 3.485 3.340 0.0703 -0.2689 -0.2806 80DOPE H6X10284 3.083 3.479 3.373 0.4231 0.8047 1.1808 80DOPE H6Y10285 3.199 3.593 3.315 -0.8640 -0.2158 -0.4591 80DOPE C3710286 3.271 3.432 3.458 0.4280 0.2647 -0.2838 80DOPE H7X10287 3.239 3.328 3.481 -2.3124 0.8505 -1.1337 80DOPE H7Y10288 3.378 3.433 3.426 0.5458 1.8073 0.1063 80DOPE C3810289 3.249 3.520 3.581 0.3464 0.2224 -0.2684 80DOPE H8X10290 3.272 3.622 3.544 2.0634 0.4514 1.2854 80DOPE H8Y10291 3.143 3.505 3.613 0.9668 -3.1058 0.6524 80DOPE C3910292 3.343 3.481 3.691 -0.1691 0.0328 0.1097 80DOPE H9X10293 3.438 3.440 3.652 -0.1422 1.3722 -1.3357 80DOPE C31010294 3.317 3.475 3.822 0.1630 0.8187 0.2130 80DOPE H10X10295 3.402 3.456 3.889 0.4027 -0.6247 -0.4818 80DOPE C31110296 3.184 3.509 3.885 -0.3245 -0.5756 -0.0405 80DOPE H11X10297 3.201 3.594 3.954 0.0127 -0.2541 -0.5160 80DOPE H11Y10298 3.107 3.533 3.809 1.0244 -0.2673 -1.3755 80DOPE C31210299 3.129 3.403 3.981 0.2819 -0.6516 0.2288 80DOPE H12X10300 3.096 3.307 3.934 -0.1201 -0.0017 -0.8538 80DOPE H12Y10301 3.211 3.386 4.054 0.7464 0.8743 0.0854 80DOPE C31310302 3.004 3.457 4.050 0.2770 -0.5661 0.1534 80DOPE H13X10303 3.022 3.557 4.095 -0.7532 -0.6757 0.8458 80DOPE H13Y10304 2.927 3.469 3.971 1.6863 -0.4259 -1.2489 80DOPE C31410305 2.937 3.380 4.164 -0.4822 0.1020 0.1627 80DOPE H14X10306 3.016 3.365 4.240 2.0762 -1.7318 -2.6553 80DOPE H14Y10307 2.896 3.282 4.133 -0.6921 0.2168 0.0736 80DOPE C31510308 2.808 3.445 4.216 -0.6653 -0.1923 0.0776 80DOPE H15X10309 2.825 3.554 4.228 -1.0735 -0.2420 1.1440 80DOPE H15Y10310 2.729 3.413 4.144 1.9088 -1.6551 -2.2943 80DOPE C31610311 2.759 3.409 4.356 -0.7177 0.4581 0.2305 80DOPE H16X10312 2.832 3.434 4.436 -0.1486 0.1090 -0.1703 80DOPE H16Y10313 2.669 3.473 4.366 0.6620 2.3716 1.1018 80DOPE C31710314 2.719 3.261 4.365 0.3437 0.1275 -0.3815 80DOPE H17X10315 2.665 3.246 4.269 -0.5471 -1.4344 0.3243 80DOPE H17Y10316 2.654 3.256 4.454 1.7371 0.7650 0.7256 80DOPE C31810317 2.826 3.154 4.387 -0.0843 -0.1474 0.3668 80DOPE H18X10318 2.895 3.147 4.301 -1.6763 -1.6463 -0.8607 80DOPE H18Y10319 2.882 3.169 4.482 -0.1751 -0.4293 0.4689 80DOPE H18Z10320 2.771 3.057 4.380 -0.7754 0.2899 -0.4468 81DOPE N10321 5.204 3.218 2.113 0.5131 -0.1374 -0.2481 81DOPE HN110322 5.195 3.150 2.034 0.1530 0.0115 -0.3402 81DOPE HN210323 5.104 3.241 2.131 0.8209 0.9387 0.1848 81DOPE HN310324 5.242 3.310 2.084 -1.6188 0.9897 0.2629 81DOPE C1210325 5.283 3.149 2.221 -0.2765 -0.0143 0.4163 81DOPE H12A10326 5.340 3.231 2.269 -1.2767 0.0757 1.5131 81DOPE H12B10327 5.352 3.074 2.177 -0.4379 0.6788 -1.0632 81DOPE C1110328 5.209 3.073 2.332 -0.1044 -0.6305 0.1104 81DOPE H11A10329 5.158 3.153 2.388 -0.8124 -1.2309 0.3435 81DOPE H11B10330 5.293 3.029 2.391 1.1307 0.6908 -0.6071 81DOPE P10331 5.086 2.854 2.372 -0.0593 -0.1247 0.4689 81DOPE O1310332 5.210 2.794 2.426 0.1549 0.0917 0.2167 81DOPE O1410333 4.998 2.757 2.302 0.0306 0.0315 0.1394 81DOPE O1110334 5.010 2.933 2.489 -0.2363 0.0244 0.2544 81DOPE O1210335 5.122 2.975 2.274 -0.5106 -0.2702 0.1163 81DOPE C110336 4.907 3.026 2.456 -0.3817 -0.2017 0.0612 81DOPE HA10337 4.806 2.985 2.475 -0.6180 1.5239 3.3094 81DOPE HB10338 4.914 3.073 2.356 -1.4055 -1.4407 -0.6138 81DOPE C210339 4.921 3.142 2.557 0.2125 -0.0782 -0.1581 81DOPE HS10340 5.017 3.191 2.531 0.5714 -0.8556 -0.3442 81DOPE O2110341 4.946 3.095 2.689 0.0267 -0.2604 -0.1869 81DOPE C2110342 4.848 3.027 2.749 -0.2689 -0.1371 -0.5292 81DOPE O2210343 4.734 3.008 2.709 -0.4400 -0.6038 0.1620 81DOPE C2210344 4.899 3.008 2.891 -0.5404 0.2507 -0.3794 81DOPE H2R10345 4.915 3.108 2.937 0.2077 0.9981 -2.2024 81DOPE H2S10346 4.997 2.955 2.891 -0.4003 0.4918 -1.3901 81DOPE C310347 4.801 3.237 2.541 0.2585 0.0231 0.1034 81DOPE HX10348 4.709 3.177 2.527 -1.1838 1.5442 2.2899 81DOPE HY10349 4.804 3.304 2.453 -1.1106 0.0180 0.0266 81DOPE O3110350 4.778 3.321 2.654 0.1640 0.4036 -0.1957 81DOPE C3110351 4.856 3.429 2.671 0.0850 0.3898 0.2677 81DOPE O3210352 4.942 3.468 2.595 0.2283 0.1526 0.3075 81DOPE C3210353 4.816 3.499 2.801 0.1506 0.3172 0.3274 81DOPE H2X10354 4.842 3.606 2.796 -2.5795 1.1477 1.7941 81DOPE H2Y10355 4.705 3.495 2.810 -0.0438 -0.9082 -1.7371 81DOPE C2310356 4.804 2.924 2.978 0.0754 -0.3071 -0.2409 81DOPE H3R10357 4.772 2.832 2.925 -1.8778 -0.7869 1.6335 81DOPE H3S10358 4.718 2.989 3.005 1.9895 2.5538 -0.5209 81DOPE C2410359 4.888 2.902 3.104 -0.1842 0.1264 0.0108 81DOPE H4R10360 4.894 3.006 3.142 -1.1017 -0.3825 1.6482 81DOPE H4S10361 4.985 2.852 3.082 0.7472 1.7113 0.3806 81DOPE C2510362 4.815 2.824 3.213 0.0196 -0.0147 0.0468 81DOPE H5R10363 4.816 2.718 3.180 -1.1541 0.2363 -0.8414 81DOPE H5S10364 4.710 2.856 3.228 -0.3508 -0.3408 -1.6721 81DOPE C2610365 4.892 2.835 3.345 -0.0600 0.2194 0.0741 81DOPE H6R10366 4.986 2.779 3.327 -0.2303 0.9565 -3.9457 81DOPE H6S10367 4.921 2.942 3.358 0.1911 -0.0284 1.7676 81DOPE C2710368 4.804 2.800 3.465 0.2426 0.2129 0.2951 81DOPE H7R10369 4.768 2.699 3.436 1.7480 -0.5556 0.9747 81DOPE H7S10370 4.722 2.875 3.464 1.1704 1.2461 -0.0969 81DOPE C2810371 4.876 2.808 3.600 0.5845 0.7226 0.0847 81DOPE H8R10372 4.938 2.900 3.610 1.5072 0.0002 1.3338 81DOPE H8S10373 4.942 2.718 3.602 0.0093 0.3064 0.4077 81DOPE C2910374 4.773 2.793 3.708 -0.4000 0.2687 -0.9096 81DOPE H9R10375 4.715 2.699 3.706 1.7230 -1.2611 2.0755 81DOPE C21010376 4.768 2.864 3.821 0.1285 -0.4789 -0.4088 81DOPE H10R10377 4.688 2.843 3.893 -0.3919 -2.4311 -1.4883 81DOPE C21110378 4.842 2.988 3.863 -0.2549 -0.3533 -0.0982 81DOPE H11R10379 4.769 3.071 3.857 1.0775 0.9259 0.7340 81DOPE H11S10380 4.928 3.010 3.795 0.7622 0.8857 1.5261 81DOPE C21210381 4.899 2.974 4.004 -0.5489 0.2753 0.0863 81DOPE H12R10382 4.940 2.872 4.023 0.8133 0.5976 -0.9417 81DOPE H12S10383 4.811 2.992 4.069 -0.9525 -2.0644 0.2949 81DOPE C21310384 5.008 3.079 4.026 -0.0757 -0.1257 -0.3210 81DOPE H13R10385 5.097 3.056 3.964 -0.9859 0.4847 -1.9089 81DOPE H13S10386 5.030 3.065 4.134 -0.9083 -2.5824 -0.4065 81DOPE C21410387 4.961 3.224 4.014 -0.0243 -0.1011 -0.2199 81DOPE H14R10388 4.887 3.247 4.095 -0.5034 1.4151 -1.0530 81DOPE H14S10389 4.910 3.238 3.917 0.1105 -0.7813 -0.3953 81DOPE C21510390 5.076 3.323 4.035 -0.1501 -0.0192 0.0911 81DOPE H15R10391 5.160 3.283 3.975 0.0564 0.3376 0.1433 81DOPE H15S10392 5.098 3.311 4.143 1.1029 0.6605 -0.0771 81DOPE C21610393 5.045 3.469 4.000 0.0880 -0.0064 -0.0678 81DOPE H16R10394 4.934 3.473 3.995 -0.2326 -2.4264 2.2782 81DOPE H16S10395 5.091 3.509 3.908 -0.6385 -0.0516 -0.4630 81DOPE C21710396 5.088 3.571 4.105 0.1276 -0.0621 -0.0294 81DOPE H17R10397 5.197 3.557 4.124 -0.1036 -0.0753 1.4200 81DOPE H17S10398 5.052 3.556 4.209 2.3140 -0.1360 0.7582 81DOPE C21810399 5.055 3.713 4.060 -0.1723 -0.0013 0.3738 81DOPE H18R10400 5.085 3.722 3.954 -1.0248 0.7315 0.1804 81DOPE H18S10401 5.109 3.792 4.118 0.2024 -1.3380 1.9172 81DOPE H18T10402 4.945 3.726 4.071 -0.0601 1.5878 -0.0411 81DOPE C3310403 4.895 3.432 2.914 0.0998 -0.3745 -0.0362 81DOPE H3X10404 4.870 3.324 2.917 0.0302 -0.4890 -2.5126 81DOPE H3Y10405 4.851 3.474 3.007 1.0764 0.6906 -0.0341 81DOPE C3410406 5.043 3.470 2.916 0.0160 -0.0503 0.1014 81DOPE H4X10407 5.103 3.412 2.844 1.6395 1.5730 0.0704 81DOPE H4Y10408 5.048 3.578 2.890 -1.0096 0.1402 0.6496 81DOPE C3510409 5.124 3.462 3.046 -0.1802 0.2004 0.2413 81DOPE H5X10410 5.078 3.528 3.122 0.6530 1.4124 -0.2827 81DOPE H5Y10411 5.229 3.494 3.028 0.4446 -2.2628 -1.0515 81DOPE C3610412 5.123 3.324 3.113 -0.5283 0.0510 -0.0688 81DOPE H6X10413 5.159 3.337 3.217 2.8783 1.1310 -1.2579 81DOPE H6Y10414 5.018 3.288 3.113 -0.3991 -0.3425 -0.7107 81DOPE C3710415 5.203 3.217 3.039 0.1397 0.7940 -0.4399 81DOPE H7X10416 5.160 3.118 3.066 -1.5408 2.1438 2.3739 81DOPE H7Y10417 5.192 3.227 2.929 0.4213 -1.3760 -0.7116 81DOPE C3810418 5.348 3.211 3.087 -0.2209 0.3537 0.6366 81DOPE H8X10419 5.396 3.123 3.038 -1.1256 0.7794 -1.1061 81DOPE H8Y10420 5.400 3.305 3.058 -2.1566 1.5004 0.7430 81DOPE C3910421 5.360 3.182 3.234 0.2035 -0.3100 0.4767 81DOPE H9X10422 5.308 3.090 3.265 -0.6028 -0.2925 -0.7499 81DOPE C31010423 5.428 3.252 3.326 0.6668 -0.1733 0.0374 81DOPE H10X10424 5.428 3.226 3.433 6.1196 -2.3752 -0.1646 81DOPE C31110425 5.503 3.380 3.302 0.0035 0.0699 -0.7953 81DOPE H11X10426 5.492 3.418 3.198 -0.1210 -0.4617 -0.9812 81DOPE H11Y10427 5.610 3.360 3.323 -0.4788 -0.2981 1.5999 81DOPE C31210428 5.463 3.502 3.385 0.6647 -0.1628 -0.1258 81DOPE H12X10429 5.518 3.592 3.352 0.6886 -0.3023 -0.4680 81DOPE H12Y10430 5.353 3.512 3.371 0.5028 1.5925 1.8066 81DOPE C31310431 5.497 3.471 3.531 -0.9163 -0.3518 0.2294 81DOPE H13X10432 5.445 3.376 3.556 -0.5749 -0.8177 -0.8015 81DOPE H13Y10433 5.607 3.453 3.539 -0.5618 1.4037 -0.2323 81DOPE C31410434 5.463 3.580 3.633 -0.0610 0.6323 -0.5093 81DOPE H14X10435 5.523 3.673 3.639 -0.8117 1.1450 -0.7962 81DOPE H14Y10436 5.358 3.610 3.614 0.2288 0.5848 -2.2889 81DOPE C31510437 5.457 3.530 3.778 -0.4209 0.0310 -0.7261 81DOPE H15X10438 5.546 3.465 3.795 -1.1177 -1.1855 -1.5926 81DOPE H15Y10439 5.370 3.461 3.785 0.2577 -0.6691 2.0369 81DOPE C31610440 5.458 3.637 3.888 0.2653 -0.9234 0.2099 81DOPE H16X10441 5.370 3.704 3.886 2.7520 2.5941 0.0935 81DOPE H16Y10442 5.548 3.700 3.870 0.2251 -0.8149 0.3902 81DOPE C31710443 5.469 3.572 4.026 -0.3517 -0.4504 0.4839 81DOPE H17X10444 5.436 3.650 4.098 -2.6016 1.1185 -2.0780 81DOPE H17Y10445 5.387 3.497 4.020 -1.0339 0.3152 0.0188 81DOPE C31810446 5.613 3.523 4.043 0.0228 0.4194 -0.1119 81DOPE H18X10447 5.618 3.453 4.129 -0.8246 -1.0016 -1.1833 81DOPE H18Y10448 5.645 3.462 3.956 -1.4301 -0.3972 -0.1091 81DOPE H18Z10449 5.675 3.613 4.066 -2.0167 2.0463 -0.6889 82DOPE N10450 3.539 0.691 2.776 -0.1412 -0.0250 0.3952 82DOPE HN110451 3.568 0.790 2.773 -1.2144 0.2839 -0.4077 82DOPE HN210452 3.623 0.640 2.811 -0.1768 -1.5200 -1.5181 82DOPE HN310453 3.508 0.666 2.679 -1.1345 -0.2846 0.7597 82DOPE C1210454 3.422 0.662 2.867 -0.0536 0.7186 0.7513 82DOPE H12A10455 3.458 0.696 2.966 3.6211 0.8071 -0.4518 82DOPE H12B10456 3.415 0.551 2.869 -0.1310 0.6773 -0.5720 82DOPE C1110457 3.292 0.736 2.833 -0.5170 -0.3442 0.1396 82DOPE H11A10458 3.319 0.843 2.827 -2.2544 0.3156 2.5251 82DOPE H11B10459 3.221 0.708 2.914 -0.6485 -0.5084 -0.0305 82DOPE P10460 3.128 0.775 2.648 -0.0584 -0.1144 -0.3135 82DOPE O1310461 3.067 0.708 2.532 -0.0919 0.2765 -0.5251 82DOPE O1410462 3.174 0.913 2.616 0.2380 -0.0418 0.4005 82DOPE O1110463 3.022 0.802 2.765 0.0251 0.5748 -0.3905 82DOPE O1210464 3.243 0.683 2.710 -0.1332 -0.0841 -0.1283 82DOPE C110465 2.896 0.862 2.732 -0.3767 -0.1101 -0.1295 82DOPE HA10466 2.822 0.824 2.806 -1.7024 0.8940 -0.8889 82DOPE HB10467 2.866 0.819 2.635 0.2745 -0.4185 -0.2025 82DOPE C210468 2.897 1.016 2.728 -0.4610 -0.0958 0.2656 82DOPE HS10469 2.982 1.050 2.664 -0.6996 -1.5115 -0.8647 82DOPE O2110470 2.913 1.061 2.863 -0.0298 0.1925 0.1236 82DOPE C2110471 2.973 1.179 2.876 0.0260 0.1514 0.2417 82DOPE O2210472 2.998 1.258 2.786 -0.5764 0.3161 0.2094 82DOPE C2210473 2.997 1.214 3.022 -0.3237 0.0190 0.3327 82DOPE H2R10474 3.046 1.129 3.074 -1.4401 -0.1600 1.1324 82DOPE H2S10475 2.896 1.235 3.062 -0.3418 0.8320 -0.1190 82DOPE C310476 2.771 1.077 2.665 -0.0252 0.3486 -0.1875 82DOPE HX10477 2.758 1.032 2.564 2.3061 -0.7200 -0.0722 82DOPE HY10478 2.786 1.185 2.644 -0.3377 0.4563 0.1310 82DOPE O3110479 2.655 1.053 2.745 -0.0459 0.2121 -0.2588 82DOPE C3110480 2.622 1.151 2.829 -0.4202 -0.0905 -0.0493 82DOPE O3210481 2.672 1.262 2.841 0.4656 -0.4272 -0.5133 82DOPE C3210482 2.505 1.096 2.909 -0.3747 -0.4921 -0.2537 82DOPE H2X10483 2.418 1.089 2.839 -0.6788 2.3974 -0.3029 82DOPE H2Y10484 2.531 1.001 2.959 -0.6953 -1.1910 -1.3804 82DOPE C2310485 3.091 1.331 3.049 -0.0298 -0.2820 0.6336 82DOPE H3R10486 3.044 1.431 3.033 0.5882 0.3015 2.3024 82DOPE H3S10487 3.180 1.325 2.982 -1.1562 0.1355 -0.9803 82DOPE C2410488 3.133 1.348 3.195 -0.2356 0.1324 0.6486 82DOPE H4R10489 3.177 1.250 3.225 -0.4731 0.2626 1.4402 82DOPE H4S10490 3.046 1.371 3.260 0.7598 2.3251 1.3020 82DOPE C2510491 3.235 1.461 3.205 0.5942 -0.5572 0.1080 82DOPE H5R10492 3.191 1.557 3.172 -0.2228 -1.1187 -0.4871 82DOPE H5S10493 3.320 1.434 3.138 0.6314 -2.2771 0.7892 82DOPE C2610494 3.296 1.482 3.343 -0.3953 -0.3437 0.5184 82DOPE H6R10495 3.216 1.518 3.412 0.3993 -0.8893 1.7757 82DOPE H6S10496 3.369 1.565 3.355 -3.0878 2.1313 0.9290 82DOPE C2710497 3.378 1.360 3.385 -0.5619 -0.5875 0.1316 82DOPE H7R10498 3.471 1.340 3.329 0.9838 2.1614 1.5542 82DOPE H7S10499 3.313 1.269 3.381 -1.4232 -0.0245 0.9234 82DOPE C2810500 3.410 1.357 3.535 0.0576 -0.3024 0.0074 82DOPE H8R10501 3.315 1.365 3.592 -0.7653 0.7628 -1.4461 82DOPE H8S10502 3.468 1.441 3.578 -0.7062 0.4104 -0.3278 82DOPE C2910503 3.474 1.223 3.556 0.2274 -0.2503 -0.1774 82DOPE H9R10504 3.570 1.203 3.505 -0.4661 1.0235 -2.0811 82DOPE C21010505 3.413 1.125 3.624 -0.1767 0.0291 -0.1376 82DOPE H10R10506 3.463 1.027 3.615 -0.1075 -0.0349 0.8164 82DOPE C21110507 3.271 1.117 3.673 -0.0495 0.3193 0.2814 82DOPE H11R10508 3.214 1.038 3.619 -1.7543 1.1629 0.7822 82DOPE H11S10509 3.219 1.210 3.642 1.7239 0.7791 -1.5792 82DOPE C21210510 3.275 1.098 3.825 -0.4469 0.3181 0.2932 82DOPE H12R10511 3.342 1.010 3.841 0.1275 0.7975 0.5792 82DOPE H12S10512 3.170 1.077 3.853 -0.8765 -2.0130 -2.5942 82DOPE C21310513 3.335 1.207 3.913 0.3052 -0.0598 0.2595 82DOPE H13R10514 3.253 1.280 3.931 -0.1407 -0.0638 -1.6312 82DOPE H13S10515 3.405 1.257 3.843 -0.5353 1.6241 0.5579 82DOPE C21410516 3.394 1.161 4.047 0.2220 -0.0033 0.3165 82DOPE H14R10517 3.493 1.111 4.031 0.5355 0.5295 0.5925 82DOPE H14S10518 3.325 1.087 4.094 -1.9014 2.2475 0.9182 82DOPE C21510519 3.403 1.271 4.152 -0.3802 0.2361 0.1208 82DOPE H15R10520 3.315 1.339 4.151 -0.3996 0.2736 1.7283 82DOPE H15S10521 3.489 1.336 4.123 0.4095 -0.5709 0.5987 82DOPE C21610522 3.447 1.221 4.289 0.3701 0.0431 -0.1850 82DOPE H16R10523 3.543 1.167 4.274 -0.2582 -0.8237 -1.1406 82DOPE H16S10524 3.376 1.146 4.330 1.7616 -1.5037 -0.5017 82DOPE C21710525 3.451 1.334 4.393 -0.1649 0.1410 -0.2723 82DOPE H17R10526 3.342 1.341 4.416 -0.3466 -2.4245 -0.0617 82DOPE H17S10527 3.482 1.422 4.334 -1.1669 -1.3393 -3.2468 82DOPE C21810528 3.528 1.292 4.518 0.0341 0.6012 -0.2420 82DOPE H18R10529 3.639 1.295 4.507 0.0386 0.8195 -0.1426 82DOPE H18S10530 3.503 1.188 4.546 0.2483 0.2474 -1.3028 82DOPE H18T10531 3.509 1.368 4.597 0.8763 0.2643 0.2993 82DOPE C3310532 2.462 1.190 3.022 0.4046 -0.2149 -0.1865 82DOPE H3X10533 2.484 1.295 2.991 3.1689 -0.5757 0.2761 82DOPE H3Y10534 2.524 1.165 3.110 -0.5388 0.6757 0.7544 82DOPE C3410535 2.318 1.165 3.066 0.2203 0.7506 -0.2142 82DOPE H4X10536 2.247 1.175 2.981 0.2974 -0.2292 -0.3972 82DOPE H4Y10537 2.319 1.062 3.107 1.7651 1.2838 1.2399 82DOPE C3510538 2.263 1.243 3.186 -0.0163 -0.0522 0.2054 82DOPE H5X10539 2.161 1.206 3.208 -1.0461 -0.0502 -3.9156 82DOPE H5Y10540 2.257 1.351 3.162 2.6856 0.0082 -0.5558 82DOPE C3610541 2.360 1.236 3.305 0.3017 -0.5700 -0.0817 82DOPE H6X10542 2.406 1.135 3.308 -0.8953 -1.2647 -2.4287 82DOPE H6Y10543 2.434 1.316 3.283 -1.1909 0.1710 -2.8813 82DOPE C3710544 2.296 1.276 3.437 0.9164 -0.2083 0.1120 82DOPE H7X10545 2.255 1.379 3.430 -1.9487 -1.3097 -0.9839 82DOPE H7Y10546 2.208 1.209 3.446 1.3851 -1.0027 -1.0323 82DOPE C3810547 2.383 1.259 3.561 0.3516 0.7581 0.6552 82DOPE H8X10548 2.435 1.162 3.553 0.6084 0.9025 0.5455 82DOPE H8Y10549 2.466 1.334 3.563 0.8358 0.2169 0.9441 82DOPE C3910550 2.301 1.259 3.687 -0.4306 -0.2605 0.1510 82DOPE H9X10551 2.215 1.191 3.688 0.8289 -1.9023 0.8499 82DOPE C31010552 2.338 1.316 3.802 -0.2666 0.5830 -0.3049 82DOPE H10X10553 2.277 1.307 3.894 -0.0752 0.8725 -0.1508 82DOPE C31110554 2.464 1.391 3.832 0.0425 -0.1673 0.3123 82DOPE H11X10555 2.524 1.428 3.746 -0.0630 -0.8158 -0.0506 82DOPE H11Y10556 2.535 1.323 3.885 -0.6980 -0.3176 1.1230 82DOPE C31210557 2.434 1.502 3.933 -0.1271 -0.0461 0.1298 82DOPE H12X10558 2.366 1.479 4.018 1.0540 -0.3175 1.0302 82DOPE H12Y10559 2.377 1.581 3.881 -0.1397 1.0086 1.6941 82DOPE C31310560 2.556 1.563 4.002 -0.1102 0.2020 -0.1204 82DOPE H13X10561 2.582 1.494 4.085 2.6304 0.7159 -0.4542 82DOPE H13Y10562 2.633 1.567 3.921 0.9477 -0.1934 0.8313 82DOPE C31410563 2.533 1.706 4.051 -0.5550 -0.1184 0.5986 82DOPE H14X10564 2.450 1.704 4.126 0.3948 -0.4450 1.6835 82DOPE H14Y10565 2.498 1.765 3.964 2.2868 2.4090 1.0398 82DOPE C31510566 2.665 1.760 4.105 -0.2458 -0.2356 -0.0378 82DOPE H15X10567 2.752 1.726 4.045 0.7352 -1.1592 1.8280 82DOPE H15Y10568 2.655 1.871 4.105 -1.8961 -0.3229 2.1045 82DOPE C31610569 2.681 1.730 4.254 0.0335 -0.8103 -0.1796 82DOPE H16X10570 2.609 1.801 4.301 -2.4344 -2.8071 -0.7380 82DOPE H16Y10571 2.654 1.629 4.292 0.6824 0.1357 3.1230 82DOPE C31710572 2.823 1.762 4.302 -0.2073 0.1490 -0.0946 82DOPE H17X10573 2.833 1.873 4.298 1.1451 0.0326 -0.2054 82DOPE H17Y10574 2.899 1.725 4.231 0.6021 -2.1154 1.8278 82DOPE C31810575 2.853 1.716 4.444 -0.2714 -0.3015 -0.2259 82DOPE H18X10576 2.806 1.778 4.524 -1.2985 0.0744 -1.0990 82DOPE H18Y10577 2.835 1.608 4.465 -0.7905 0.0294 1.1799 82DOPE H18Z10578 2.961 1.740 4.452 -0.2318 -0.6376 0.2793 83DOPE N10579 3.513 3.578 2.173 -0.3059 -0.1276 0.6714 83DOPE HN110580 3.537 3.653 2.106 3.3094 -2.1365 -0.5717 83DOPE HN210581 3.421 3.598 2.217 -0.2161 0.3197 0.6545 83DOPE HN310582 3.583 3.595 2.248 1.6693 0.7892 -1.2856 83DOPE C1210583 3.518 3.433 2.129 -0.2627 0.1562 -0.2730 83DOPE H12A10584 3.591 3.434 2.045 0.7725 1.9499 0.5794 83DOPE H12B10585 3.418 3.404 2.091 1.1013 -1.3219 -3.0799 83DOPE C1110586 3.559 3.347 2.248 0.2376 -0.1755 -0.6822 83DOPE H11A10587 3.560 3.241 2.215 0.1561 -0.3072 -0.2710 83DOPE H11B10588 3.487 3.351 2.333 1.4449 -1.0383 0.4388 83DOPE P10589 3.732 3.296 2.425 0.4196 -0.1867 -0.4006 83DOPE O1310590 3.867 3.343 2.467 0.1767 0.2088 -0.0518 83DOPE O1410591 3.732 3.152 2.393 0.9493 -0.4159 0.5730 83DOPE O1110592 3.622 3.332 2.536 0.4997 0.0275 -0.3899 83DOPE O1210593 3.689 3.381 2.297 0.1301 -0.2486 -0.3444 83DOPE C110594 3.585 3.459 2.590 0.6641 0.2149 -0.7163 83DOPE HA10595 3.496 3.446 2.655 0.7567 0.3121 -0.5696 83DOPE HB10596 3.563 3.533 2.510 1.7388 0.0092 -1.2330 83DOPE C210597 3.705 3.519 2.666 0.1978 0.1750 0.0543 83DOPE HS10598 3.774 3.559 2.589 -0.3511 2.3972 0.6425 83DOPE O2110599 3.764 3.421 2.751 -0.1076 -0.0982 -0.0443 83DOPE C2110600 3.889 3.459 2.781 -0.3514 0.5431 0.1862 83DOPE O2210601 3.935 3.570 2.766 0.1392 0.3854 0.5117 83DOPE C2210602 3.972 3.342 2.833 -0.6302 0.1687 -0.1970 83DOPE H2R10603 4.049 3.332 2.754 -0.8349 1.3002 -0.5614 83DOPE H2S10604 3.905 3.257 2.857 0.9931 -0.1729 3.9348 83DOPE C310605 3.664 3.644 2.746 0.8179 0.1430 0.4220 83DOPE HX10606 3.587 3.694 2.684 1.7484 -0.6755 -1.4546 83DOPE HY10607 3.754 3.710 2.753 1.6829 -0.8338 -0.9861 83DOPE O3110608 3.610 3.601 2.871 -0.0515 -0.0464 -0.0189 83DOPE C3110609 3.576 3.704 2.948 -0.1725 -0.0706 -0.0384 83DOPE O3210610 3.593 3.822 2.920 0.5373 -0.1588 -0.0027 83DOPE C3210611 3.519 3.651 3.078 -0.1633 -0.0115 -0.0102 83DOPE H2X10612 3.418 3.696 3.088 0.2142 0.5717 1.5893 83DOPE H2Y10613 3.522 3.540 3.075 1.5798 0.0313 -2.3512 83DOPE C2310614 4.040 3.372 2.967 0.0725 -0.4539 -0.4109 83DOPE H3R10615 4.089 3.470 2.950 -0.1464 -0.3511 -0.4496 83DOPE H3S10616 4.116 3.297 2.999 0.4875 -0.0742 -0.5015 83DOPE C2410617 3.944 3.385 3.085 0.5250 -0.4374 -0.0397 83DOPE H4R10618 3.916 3.279 3.104 -0.1063 -0.2098 0.3308 83DOPE H4S10619 3.847 3.434 3.059 0.0940 -2.3853 -2.5614 83DOPE C2510620 4.005 3.453 3.208 0.5527 -0.4635 -0.0397 83DOPE H5R10621 3.933 3.458 3.292 -2.4500 1.7544 -2.4884 83DOPE H5S10622 4.024 3.558 3.177 -0.8043 -0.8177 -2.3787 83DOPE C2610623 4.133 3.386 3.257 0.7398 -0.3050 -0.3080 83DOPE H6R10624 4.225 3.404 3.198 0.9062 -2.2456 -0.7254 83DOPE H6S10625 4.104 3.279 3.266 -1.4942 0.4411 4.2149 83DOPE C2710626 4.174 3.415 3.402 0.0822 -0.2077 -0.1412 83DOPE H7R10627 4.186 3.525 3.403 -0.3661 -0.1526 -0.2468 83DOPE H7S10628 4.273 3.368 3.416 0.3840 0.1092 -1.1121 83DOPE C2810629 4.079 3.374 3.514 0.2556 -0.4009 -0.0647 83DOPE H8R10630 3.980 3.426 3.515 0.7688 0.6589 1.9344 83DOPE H8S10631 4.112 3.410 3.614 0.4517 3.1113 -1.2343 83DOPE C2910632 4.063 3.225 3.521 -0.1520 -0.3435 0.2638 83DOPE H9R10633 4.149 3.172 3.564 0.0775 0.3149 0.6318 83DOPE C21010634 3.961 3.150 3.477 0.0279 -0.2763 -0.2644 83DOPE H10R10635 3.966 3.041 3.491 -3.6410 -0.5254 0.0587 83DOPE C21110636 3.832 3.203 3.422 0.0338 -0.2530 -0.2562 83DOPE H11R10637 3.830 3.194 3.312 -1.5963 1.2373 -0.3968 83DOPE H11S10638 3.822 3.309 3.452 0.7407 0.0556 -1.0918 83DOPE C21210639 3.706 3.127 3.467 0.1043 -0.4614 -0.4085 83DOPE H12R10640 3.714 3.131 3.578 -1.8752 -0.6196 -0.2389 83DOPE H12S10641 3.709 3.026 3.423 -2.0953 0.2217 -2.2924 83DOPE C21310642 3.582 3.207 3.427 -0.0098 -0.2838 0.2912 83DOPE H13R10643 3.618 3.311 3.438 1.8803 -1.1358 3.6920 83DOPE H13S10644 3.496 3.197 3.498 -0.2868 -1.1087 -0.1412 83DOPE C21410645 3.520 3.158 3.296 -0.3199 -0.4580 0.4996 83DOPE H14R10646 3.594 3.147 3.213 -1.7577 0.1399 -0.9169 83DOPE H14S10647 3.451 3.239 3.262 -0.9573 -1.1872 0.0322 83DOPE C21510648 3.442 3.026 3.299 -0.8716 -0.1422 0.2663 83DOPE H15R10649 3.347 3.035 3.355 -0.8957 0.1491 0.1798 83DOPE H15S10650 3.506 2.954 3.354 0.8661 2.1294 1.3877 83DOPE C21610651 3.405 2.973 3.161 0.0334 -0.0925 -0.0018 83DOPE H16R10652 3.366 2.871 3.177 1.6364 -0.7577 -0.1279 83DOPE H16S10653 3.504 2.982 3.111 0.9328 1.9655 1.9742 83DOPE C21710654 3.300 3.056 3.087 -0.0878 -0.0202 0.2503 83DOPE H17R10655 3.309 3.165 3.102 0.9718 0.3346 -2.3654 83DOPE H17S10656 3.216 3.025 3.153 1.7974 -0.1177 2.7433 83DOPE C21810657 3.271 3.011 2.944 0.0357 0.7240 -0.0135 83DOPE H18R10658 3.348 3.046 2.872 -0.4097 -0.0206 -0.8868 83DOPE H18S10659 3.173 3.054 2.913 -0.5317 1.0276 2.0837 83DOPE H18T10660 3.268 2.900 2.932 1.2386 0.6526 0.2305 83DOPE C3310661 3.600 3.693 3.201 0.3027 -0.2241 -0.2441 83DOPE H3X10662 3.614 3.804 3.195 -1.2159 -0.0858 -4.4107 83DOPE H3Y10663 3.704 3.654 3.200 0.2229 -0.4868 1.0585 83DOPE C3410664 3.538 3.645 3.332 0.2533 0.0564 -0.1629 83DOPE H4X10665 3.535 3.534 3.323 3.1124 0.0550 -3.8834 83DOPE H4Y10666 3.433 3.681 3.330 0.2826 0.1140 -1.2879 83DOPE C3510667 3.595 3.685 3.468 -0.2873 -0.3230 0.1774 83DOPE H5X10668 3.623 3.792 3.465 0.3869 -0.5014 0.0928 83DOPE H5Y10669 3.517 3.674 3.546 -0.8635 1.7329 -0.0486 83DOPE C3610670 3.726 3.612 3.499 -0.5798 -0.9709 -0.0836 83DOPE H6X10671 3.709 3.504 3.515 -1.8498 -1.0805 -1.8817 83DOPE H6Y10672 3.789 3.629 3.409 -1.5050 -0.1486 -0.6041 83DOPE C3710673 3.795 3.671 3.623 0.1198 -0.2929 -0.7825 83DOPE H7X10674 3.883 3.605 3.640 -0.6438 -0.9406 0.8702 83DOPE H7Y10675 3.829 3.774 3.601 2.7823 -0.9886 -0.2127 83DOPE C3810676 3.710 3.674 3.750 0.6536 -0.6474 -0.4136 83DOPE H8X10677 3.616 3.726 3.722 -0.6883 -3.2848 -1.1050 83DOPE H8Y10678 3.681 3.571 3.778 -1.5632 -0.2763 -1.1327 83DOPE C3910679 3.775 3.741 3.868 0.0647 0.1448 -0.5287 83DOPE H9X10680 3.837 3.830 3.855 2.1663 -1.2364 -0.3466 83DOPE C31010681 3.742 3.713 3.995 0.6479 -0.5192 -0.5133 83DOPE H10X10682 3.804 3.760 4.073 2.0308 -1.6225 -0.9137 83DOPE C31110683 3.642 3.612 4.043 -0.4913 0.6013 -0.4524 83DOPE H11X10684 3.692 3.528 4.097 0.9990 1.0135 -1.1617 83DOPE H11Y10685 3.585 3.574 3.956 2.0244 -0.2697 -1.8026 83DOPE C31210686 3.541 3.666 4.144 -0.2844 0.1668 -0.0066 83DOPE H12X10687 3.482 3.731 4.076 -2.1598 -3.3311 -2.0297 83DOPE H12Y10688 3.597 3.709 4.230 -1.1196 -0.9157 1.1261 83DOPE C31310689 3.443 3.556 4.188 0.1680 -0.2373 -0.0089 83DOPE H13X10690 3.409 3.518 4.090 1.3999 -1.1062 -0.1314 83DOPE H13Y10691 3.503 3.483 4.246 0.6566 1.6805 2.0702 83DOPE C31410692 3.331 3.609 4.277 -0.0480 0.2446 -0.5644 83DOPE H14X10693 3.259 3.652 4.204 0.0856 1.4053 -0.0424 83DOPE H14Y10694 3.367 3.685 4.350 1.0017 -0.9197 0.1711 83DOPE C31510695 3.260 3.497 4.352 -0.5062 0.4918 -0.6217 83DOPE H15X10696 3.216 3.428 4.277 -1.4402 0.0039 0.3527 83DOPE H15Y10697 3.327 3.432 4.413 -0.0874 0.1824 -1.4017 83DOPE C31610698 3.148 3.535 4.449 -0.2304 0.2829 -0.2158 83DOPE H16X10699 3.051 3.553 4.396 -0.1160 2.2209 0.1726 83DOPE H16Y10700 3.124 3.449 4.515 -2.1376 0.6499 -0.3485 83DOPE C31710701 3.165 3.662 4.533 0.0653 -0.0787 0.2764 83DOPE H17X10702 3.271 3.663 4.566 0.3426 -2.3534 -0.3346 83DOPE H17Y10703 3.157 3.757 4.477 -0.6361 0.6446 1.5799 83DOPE C31810704 3.072 3.668 4.653 -0.0242 0.1585 0.1948 83DOPE H18X10705 2.968 3.683 4.615 -0.3670 -2.1017 0.0885 83DOPE H18Y10706 3.066 3.574 4.712 -0.8555 -1.4114 -2.2543 83DOPE H18Z10707 3.095 3.750 4.725 0.5931 -0.8758 1.2012 84DOPE N10708 5.587 0.911 1.997 -0.7516 -0.1721 -0.5715 84DOPE HN110709 5.551 0.961 1.913 0.8056 -0.8823 -1.7155 84DOPE HN210710 5.608 0.975 2.076 -0.7854 0.4635 -1.0638 84DOPE HN310711 5.680 0.876 1.967 -1.0697 0.1413 -1.9998 84DOPE C1210712 5.493 0.802 2.042 -0.3133 -0.2453 0.1731 84DOPE H12A10713 5.549 0.738 2.114 0.4418 0.6047 0.3563 84DOPE H12B10714 5.478 0.744 1.948 -2.6274 1.5428 -0.6593 84DOPE C1110715 5.361 0.842 2.107 -0.5113 0.2215 -0.5058 84DOPE H11A10716 5.325 0.766 2.180 0.9406 -0.3033 -0.3092 84DOPE H11B10717 5.278 0.859 2.035 -0.1248 0.2844 -0.9391 84DOPE P10718 5.244 1.041 2.226 -0.3366 -0.0124 -0.0624 84DOPE O1310719 5.149 0.947 2.290 -0.3700 -0.0686 -0.1950 84DOPE O1410720 5.179 1.127 2.126 0.0260 0.0615 -0.2362 84DOPE O1110721 5.303 1.133 2.343 -0.3574 0.3123 -0.3072 84DOPE O1210722 5.376 0.970 2.170 -0.2856 -0.1782 0.2646 84DOPE C110723 5.402 1.084 2.434 -0.2120 0.5632 -0.3300 84DOPE HA10724 5.495 1.144 2.423 1.1874 -1.2394 1.1113 84DOPE HB10725 5.434 0.980 2.412 0.4748 0.7073 -0.0457 84DOPE C210726 5.354 1.092 2.580 -0.1883 0.0347 -0.2933 84DOPE HS10727 5.269 1.021 2.585 -0.6006 0.4999 -0.6584 84DOPE O2110728 5.305 1.224 2.601 0.3259 0.1819 0.0111 84DOPE C2110729 5.394 1.320 2.629 0.3614 0.3453 -0.6517 84DOPE O2210730 5.513 1.316 2.606 0.5686 0.2044 0.4226 84DOPE C2210731 5.326 1.448 2.674 -0.0976 -0.1850 0.1842 84DOPE H2R10732 5.218 1.434 2.652 0.3057 -2.2568 -0.6831 84DOPE H2S10733 5.366 1.534 2.616 0.7340 -0.4362 0.3871 84DOPE C310734 5.452 1.053 2.693 0.2167 0.7779 -0.3785 84DOPE HX10735 5.549 1.100 2.669 -0.0291 0.1560 -2.9199 84DOPE HY10736 5.475 0.944 2.685 -1.0845 0.5744 -2.2092 84DOPE O3110737 5.419 1.090 2.827 -0.4869 0.1570 -0.3687 84DOPE C3110738 5.335 1.003 2.882 0.0128 -0.2010 -0.1701 84DOPE O3210739 5.269 0.915 2.829 -0.4490 0.0554 -0.0248 84DOPE C3210740 5.321 1.032 3.031 -0.0583 -0.0443 -0.2062 84DOPE H2X10741 5.417 1.060 3.080 0.2810 -2.5501 0.7388 84DOPE H2Y10742 5.252 1.118 3.037 -2.3551 -1.7524 -0.7850 84DOPE C2310743 5.366 1.466 2.821 0.5082 0.3976 -0.0496 84DOPE H3R10744 5.472 1.501 2.822 0.2216 1.2918 -0.1945 84DOPE H3S10745 5.340 1.372 2.875 -1.6095 0.1813 -1.3166 84DOPE C2410746 5.294 1.588 2.878 -0.0673 0.2170 -0.3826 84DOPE H4R10747 5.309 1.665 2.800 -1.1624 1.5353 0.6581 84DOPE H4S10748 5.345 1.619 2.971 -0.7965 -0.1852 0.1629 84DOPE C2510749 5.143 1.580 2.900 0.0285 -0.0896 0.2004 84DOPE H5R10750 5.106 1.544 2.801 0.6672 -1.2272 0.3649 84DOPE H5S10751 5.093 1.679 2.911 -0.9303 -0.6617 1.1465 84DOPE C2610752 5.096 1.492 3.016 0.2746 -0.0783 0.3093 84DOPE H6R10753 5.151 1.396 3.009 -1.5104 -1.1228 -0.1684 84DOPE H6S10754 4.991 1.461 2.997 0.6757 -1.1605 -0.2150 84DOPE C2710755 5.107 1.559 3.153 -0.0055 -0.3539 0.4678 84DOPE H7R10756 5.045 1.651 3.157 -0.8562 -0.9442 1.0521 84DOPE H7S10757 5.208 1.602 3.170 -0.6850 1.2135 0.7778 84DOPE C2810758 5.078 1.465 3.270 -0.5607 -0.3138 0.3640 84DOPE H8R10759 4.988 1.400 3.264 0.7961 -2.1813 -0.9295 84DOPE H8S10760 5.069 1.538 3.353 -2.0561 -1.2622 1.0772 84DOPE C2910761 5.194 1.374 3.295 0.1734 0.4730 -0.1212 84DOPE H9R10762 5.262 1.342 3.214 1.0905 -1.3064 1.2736 84DOPE C21010763 5.232 1.321 3.412 -0.1298 0.2423 -0.1290 84DOPE H10R10764 5.325 1.264 3.398 0.6723 1.7931 -1.2640 84DOPE C21110765 5.161 1.343 3.543 0.3271 -0.2165 0.1982 84DOPE H11R10766 5.158 1.247 3.600 0.3593 -0.2275 0.1809 84DOPE H11S10767 5.053 1.366 3.536 0.4019 -0.0403 -0.4528 84DOPE C21210768 5.230 1.443 3.636 0.4616 -0.1290 0.0041 84DOPE H12R10769 5.240 1.547 3.598 -1.4686 1.0164 2.3723 84DOPE H12S10770 5.329 1.395 3.651 1.3209 1.1517 -1.2756 84DOPE C21310771 5.161 1.453 3.772 -0.1050 -0.4870 -0.2531 84DOPE H13R10772 5.237 1.504 3.835 -0.2809 -1.1802 0.5493 84DOPE H13S10773 5.149 1.348 3.809 1.3826 -0.6674 -0.1871 84DOPE C21410774 5.034 1.537 3.765 0.0226 -0.2545 0.1760 84DOPE H14R10775 4.946 1.484 3.723 -0.0316 -0.4924 0.5834 84DOPE H14S10776 5.052 1.604 3.678 0.3184 -0.8063 -0.1975 84DOPE C21510777 5.007 1.600 3.902 -0.0382 -0.2818 0.1764 84DOPE H15R10778 5.099 1.612 3.963 0.3287 -1.5967 -0.0857 84DOPE H15S10779 4.942 1.538 3.967 -1.6345 2.3195 1.2036 84DOPE C21610780 4.933 1.734 3.896 0.1167 -0.1751 0.6568 84DOPE H16R10781 4.869 1.725 3.806 -0.7139 0.3509 1.1896 84DOPE H16S10782 5.003 1.815 3.868 -0.4692 0.1563 0.1311 84DOPE C21710783 4.842 1.768 4.014 -0.1885 0.3933 0.2626 84DOPE H17R10784 4.771 1.683 4.024 -1.2601 0.7039 -3.4680 84DOPE H17S10785 4.781 1.861 4.012 0.7422 1.0342 0.8088 84DOPE C21810786 4.932 1.773 4.138 0.0770 0.0055 0.0885 84DOPE H18R10787 4.967 1.671 4.164 -1.1268 -0.7470 -1.1229 84DOPE H18S10788 4.880 1.808 4.229 0.0222 2.4591 -0.8226 84DOPE H18T10789 5.018 1.842 4.128 2.3222 -2.8038 -1.5894 84DOPE C3310790 5.259 0.906 3.092 0.0794 -0.0523 -0.0789 84DOPE H3X10791 5.320 0.815 3.075 1.4073 0.5710 1.1759 84DOPE H3Y10792 5.157 0.884 3.053 -0.2161 3.1246 -1.4236 84DOPE C3410793 5.232 0.911 3.242 0.0284 0.3946 -0.1003 84DOPE H4X10794 5.178 1.006 3.262 1.2024 0.8939 0.7679 84DOPE H4Y10795 5.164 0.829 3.275 -0.1587 1.2207 1.6924 84DOPE C3510796 5.358 0.912 3.328 0.0118 -0.3792 -0.0527 84DOPE H5X10797 5.431 0.990 3.296 -0.1930 0.2243 0.9166 84DOPE H5Y10798 5.405 0.812 3.318 -2.2431 -1.4495 -0.6227 84DOPE C3610799 5.339 0.921 3.480 -0.3337 -0.5312 -0.0876 84DOPE H6X10800 5.307 1.025 3.504 -0.1092 -0.4084 -0.3108 84DOPE H6Y10801 5.258 0.850 3.506 -1.7659 1.1463 0.2778 84DOPE C3710802 5.466 0.883 3.556 -0.2108 0.1167 0.0362 84DOPE H7X10803 5.498 0.783 3.520 0.3823 0.4556 -0.3954 84DOPE H7Y10804 5.554 0.943 3.524 0.0698 1.4915 3.0533 84DOPE C3810805 5.459 0.883 3.709 -0.2038 0.0284 0.0365 84DOPE H8X10806 5.385 0.812 3.751 0.5969 -0.9345 -0.1251 84DOPE H8Y10807 5.558 0.842 3.739 -1.0540 -0.5144 2.2514 84DOPE C3910808 5.450 1.018 3.775 -0.4258 0.0589 -0.0580 84DOPE H9X10809 5.529 1.088 3.747 0.3493 -0.4890 0.7025 84DOPE C31010810 5.371 1.061 3.874 -0.0034 0.7228 -0.0042 84DOPE H10X10811 5.381 1.166 3.905 -0.5084 0.4494 1.1733 84DOPE C31110812 5.261 0.979 3.937 0.1868 0.1686 -0.3816 84DOPE H11X10813 5.269 0.982 4.048 1.2153 2.7309 -0.4487 84DOPE H11Y10814 5.267 0.872 3.910 1.7094 0.3887 -1.0220 84DOPE C31210815 5.121 1.032 3.907 0.3455 0.6915 -0.2111 84DOPE H12X10816 5.051 0.978 3.974 1.8279 -0.6489 0.3136 84DOPE H12Y10817 5.110 1.142 3.919 -1.4777 0.5595 -0.3616 84DOPE C31310818 5.083 1.011 3.760 -0.0016 -0.0129 -0.0236 84DOPE H13X10819 5.157 1.058 3.692 0.2443 2.1344 1.6310 84DOPE H13Y10820 5.083 0.902 3.738 0.6428 -0.7628 3.1115 84DOPE C31410821 4.949 1.077 3.729 0.1397 0.2783 -0.0190 84DOPE H14X10822 4.865 1.029 3.784 -1.4992 1.1492 -1.6311 84DOPE H14Y10823 4.955 1.182 3.763 -1.2689 0.4049 -0.1061 84DOPE C31510824 4.909 1.087 3.582 0.5482 -0.2406 -0.1671 84DOPE H15X10825 4.800 1.105 3.586 0.4575 -0.6870 -0.5590 84DOPE H15Y10826 4.957 1.174 3.532 0.0106 0.6554 0.8264 84DOPE C31610827 4.928 0.955 3.507 0.0477 -0.2944 -0.1970 84DOPE H16X10828 5.035 0.926 3.515 0.0882 -0.0898 0.0096 84DOPE H16Y10829 4.908 0.982 3.401 -0.6108 1.0111 0.2340 84DOPE C31710830 4.845 0.834 3.551 -0.2438 0.2914 0.8956 84DOPE H17X10831 4.861 0.822 3.661 -0.7378 1.8082 1.1541 84DOPE H17Y10832 4.882 0.741 3.502 -0.2110 0.5832 0.3606 84DOPE C31810833 4.697 0.845 3.519 -0.2385 -0.0513 0.7455 84DOPE H18X10834 4.638 0.751 3.515 -1.6776 0.8482 -1.4268 84DOPE H18Y10835 4.657 0.924 3.586 1.1654 1.6104 -0.2586 84DOPE H18Z10836 4.695 0.890 3.417 -1.6907 -0.2586 0.6548 85DOPE N10837 0.492 3.945 2.209 -0.4057 -0.5898 -0.7172 85DOPE HN110838 0.554 4.011 2.260 -1.9006 0.4965 -0.2623 85DOPE HN210839 0.544 3.858 2.185 -1.6026 -1.5566 0.0995 85DOPE HN310840 0.421 3.920 2.280 0.2358 0.4534 0.3174 85DOPE C1210841 0.430 4.023 2.095 0.2800 0.2726 -0.5149 85DOPE H12A10842 0.406 3.957 2.009 -0.0098 0.6549 -0.7276 85DOPE H12B10843 0.509 4.093 2.062 -0.8267 0.3354 -3.3263 85DOPE C1110844 0.307 4.105 2.134 0.3455 -0.1776 0.6854 85DOPE H11A10845 0.223 4.038 2.163 -1.8346 1.1024 -2.1663 85DOPE H11B10846 0.274 4.156 2.041 2.0114 -1.4007 -0.6414 85DOPE P10847 0.276 4.335 2.223 0.0820 0.3382 -0.1181 85DOPE O1310848 0.343 4.412 2.115 0.1718 0.3917 -0.0236 85DOPE O1410849 0.131 4.318 2.200 0.1301 0.2062 -0.3315 85DOPE O1110850 0.294 4.414 2.360 -0.0589 0.2616 -0.0548 85DOPE O1210851 0.347 4.193 2.240 0.7326 0.6588 -0.1368 85DOPE C110852 0.423 4.466 2.394 0.2495 -0.0204 -0.7774 85DOPE HA10853 0.412 4.532 2.483 1.7592 -2.2613 1.2216 85DOPE HB10854 0.474 4.530 2.319 -0.8194 1.6998 -0.0862 85DOPE C210855 0.533 4.365 2.433 0.3130 0.3523 0.0396 85DOPE HS10856 0.559 4.313 2.338 1.6735 2.1680 -0.6536 85DOPE O2110857 0.466 4.274 2.519 0.0902 0.0684 -0.4318 85DOPE C2110858 0.518 4.151 2.514 -0.7295 -0.2867 -0.5134 85DOPE O2210859 0.588 4.107 2.424 0.3888 -0.4454 0.4052 85DOPE C2210860 0.497 4.085 2.649 -0.2340 0.8486 0.1377 85DOPE H2R10861 0.520 3.976 2.649 2.0119 1.2356 3.1104 85DOPE H2S10862 0.392 4.096 2.684 -0.0352 2.8629 0.2171 85DOPE C310863 0.656 4.430 2.499 0.2199 0.4517 0.1138 85DOPE HX10864 0.701 4.496 2.421 1.6387 -0.8731 -0.2282 85DOPE HY10865 0.733 4.354 2.522 -1.8896 -1.6385 0.5505 85DOPE O3110866 0.621 4.488 2.625 0.1006 -0.1143 0.3404 85DOPE C3110867 0.724 4.558 2.672 0.6606 -0.5591 -0.2168 85DOPE O3210868 0.829 4.581 2.614 0.5822 -0.3190 -0.2646 85DOPE C3210869 0.689 4.613 2.809 0.3379 -0.8750 -0.1713 85DOPE H2X10870 0.734 4.715 2.811 -0.7689 -0.3703 1.3632 85DOPE H2Y10871 0.579 4.626 2.821 0.6425 0.4354 1.7168 85DOPE C2310872 0.578 4.153 2.759 0.3518 0.0761 0.1920 85DOPE H3R10873 0.521 4.247 2.778 1.0471 1.1238 -2.4592 85DOPE H3S10874 0.684 4.173 2.732 0.5167 -2.8604 -1.8000 85DOPE C2410875 0.588 4.071 2.887 -0.3334 0.1647 0.3066 85DOPE H4R10876 0.651 3.980 2.874 1.5503 1.4557 0.1309 85DOPE H4S10877 0.488 4.030 2.914 -0.5985 0.1979 -0.5934 85DOPE C2510878 0.645 4.145 3.008 0.7543 -0.0141 -0.0900 85DOPE H5R10879 0.579 4.228 3.041 0.9956 -0.1251 0.7053 85DOPE H5S10880 0.746 4.189 2.992 0.8938 0.1773 1.2151 85DOPE C2610881 0.660 4.057 3.132 -0.0908 -0.1286 -0.0634 85DOPE H6R10882 0.759 4.006 3.146 0.5150 0.1173 -2.8541 85DOPE H6S10883 0.588 3.973 3.127 -0.9035 0.6242 -1.1837 85DOPE C2710884 0.639 4.138 3.260 -0.0148 0.1416 -0.2220 85DOPE H7R10885 0.531 4.163 3.270 -0.0170 -0.1401 0.5559 85DOPE H7S10886 0.696 4.233 3.255 -0.0746 0.1679 -0.4332 85DOPE C2810887 0.669 4.069 3.393 0.1699 0.1690 -0.2495 85DOPE H8R10888 0.640 3.961 3.393 -1.2283 0.4371 -3.4800 85DOPE H8S10889 0.604 4.111 3.473 -0.1956 -2.2095 0.8178 85DOPE C2910890 0.813 4.077 3.435 0.1108 0.0965 -0.0331 85DOPE H9R10891 0.888 4.048 3.361 0.5626 -1.2625 0.9076 85DOPE C21010892 0.852 4.099 3.562 -0.1189 -0.2310 0.0960 85DOPE H10R10893 0.962 4.102 3.564 -0.0635 -0.2557 -1.3144 85DOPE C21110894 0.774 4.122 3.687 -0.5627 0.7392 -0.3534 85DOPE H11R10895 0.668 4.127 3.654 -1.1466 -1.4556 0.9722 85DOPE H11S10896 0.810 4.208 3.748 0.4122 -0.0350 0.1948 85DOPE C21210897 0.771 4.002 3.782 0.4098 0.7199 -0.3424 85DOPE H12R10898 0.729 3.918 3.724 -1.9869 -0.0419 2.2580 85DOPE H12S10899 0.698 4.027 3.861 2.4039 2.8567 0.9681 85DOPE C21310900 0.904 3.967 3.849 0.4313 0.3293 -0.5901 85DOPE H13R10901 0.938 4.052 3.911 1.1937 -1.5379 1.7117 85DOPE H13S10902 0.982 3.959 3.769 0.5386 2.3606 -0.7317 85DOPE C21410903 0.893 3.845 3.941 0.2743 0.4485 -0.4516 85DOPE H14R10904 0.874 3.754 3.881 -0.5277 -0.6264 1.3311 85DOPE H14S10905 0.806 3.859 4.008 0.5300 0.0693 -0.0333 85DOPE C21510906 1.020 3.846 4.027 -0.0410 -0.4625 0.0334 85DOPE H15R10907 1.046 3.946 4.066 -1.9251 0.6185 -1.3754 85DOPE H15S10908 1.097 3.795 3.964 -1.9469 0.4823 -3.2982 85DOPE C21610909 1.001 3.767 4.157 -0.0888 -0.5404 -0.0205 85DOPE H16R10910 0.984 3.669 4.107 -1.0558 -0.3106 -0.1614 85DOPE H16S10911 0.916 3.808 4.215 0.2358 0.8936 -0.5148 85DOPE C21710912 1.131 3.761 4.238 -0.0188 -0.5520 -0.1325 85DOPE H17R10913 1.202 3.690 4.191 1.2579 0.3419 0.4081 85DOPE H17S10914 1.114 3.712 4.337 -0.3101 0.7451 0.4793 85DOPE C21810915 1.216 3.885 4.261 -0.0746 -0.5224 -0.0836 85DOPE H18R10916 1.244 3.934 4.165 -1.6040 -0.7541 -0.6705 85DOPE H18S10917 1.308 3.858 4.318 -0.6136 -1.6171 0.2836 85DOPE H18T10918 1.153 3.958 4.316 0.3593 0.1577 -0.4830 85DOPE C3310919 0.736 4.527 2.926 0.5207 0.0239 0.4322 85DOPE H3X10920 0.843 4.518 2.898 -0.1951 -2.0974 -2.1294 85DOPE H3Y10921 0.687 4.427 2.915 -1.0570 0.4789 2.6620 85DOPE C3410922 0.732 4.597 3.062 0.8253 0.7122 0.0865 85DOPE H4X10923 0.774 4.700 3.059 -0.9113 1.4899 1.1843 85DOPE H4Y10924 0.627 4.610 3.093 0.6466 1.6107 -0.8403 85DOPE C3510925 0.815 4.514 3.160 0.8136 0.1334 -0.3848 85DOPE H5X10926 0.915 4.481 3.126 0.8799 -0.4510 0.3379 85DOPE H5Y10927 0.746 4.427 3.159 -0.7665 1.3454 -0.7819 85DOPE C3610928 0.839 4.574 3.299 0.1443 -0.0077 -0.2038 85DOPE H6X10929 0.751 4.631 3.335 -0.6498 -0.4969 -1.3211 85DOPE H6Y10930 0.931 4.636 3.294 1.2686 -1.5661 0.2916 85DOPE C3710931 0.849 4.461 3.401 0.5350 0.3375 0.1416 85DOPE H7X10932 0.767 4.389 3.383 0.5714 0.6736 -1.4910 85DOPE H7Y10933 0.936 4.405 3.361 -1.4604 -0.5783 -3.2936 85DOPE C3810934 0.852 4.504 3.548 0.0503 0.0684 0.2319 85DOPE H8X10935 0.903 4.414 3.588 0.3876 0.6710 1.2102 85DOPE H8Y10936 0.897 4.605 3.557 -2.6190 1.5577 -1.7033 85DOPE C3910937 0.710 4.502 3.597 -0.1965 1.0837 -0.3973 85DOPE H9X10938 0.633 4.486 3.521 0.6223 -1.2513 -0.8383 85DOPE C31010939 0.684 4.495 3.729 0.1920 1.0380 -0.3207 85DOPE H10X10940 0.577 4.487 3.753 0.3687 -0.4407 0.0853 85DOPE C31110941 0.787 4.499 3.838 -0.4940 -0.0736 0.3845 85DOPE H11X10942 0.893 4.496 3.805 -0.6355 0.4648 -0.1202 85DOPE H11Y10943 0.772 4.403 3.892 0.1748 0.1883 1.0448 85DOPE C31210944 0.751 4.608 3.940 -0.0719 -0.0863 0.5468 85DOPE H12X10945 0.645 4.607 3.972 0.0011 2.0018 0.9891 85DOPE H12Y10946 0.772 4.707 3.894 -0.2792 0.2157 1.0969 85DOPE C31310947 0.841 4.608 4.064 0.5607 0.3806 0.0960 85DOPE H13X10948 0.849 4.506 4.105 -2.7296 0.6748 1.8346 85DOPE H13Y10949 0.941 4.642 4.032 0.4667 1.8125 1.2231 85DOPE C31410950 0.785 4.701 4.172 -0.8427 0.2309 -0.4807 85DOPE H14X10951 0.686 4.663 4.206 -0.6576 0.0687 -0.1161 85DOPE H14Y10952 0.767 4.799 4.124 -0.9400 0.6213 0.3238 85DOPE C31510953 0.861 4.709 4.305 -0.0786 -0.7022 -0.8489 85DOPE H15X10954 0.816 4.779 4.378 -1.5380 -3.8248 1.4867 85DOPE H15Y10955 0.967 4.733 4.283 -0.9236 1.4222 -3.1802 85DOPE C31610956 0.878 4.579 4.383 0.5857 -0.3325 -0.3728 85DOPE H16X10957 0.950 4.516 4.327 1.1499 -1.0485 1.1031 85DOPE H16Y10958 0.931 4.605 4.477 0.3378 2.0734 -0.8313 85DOPE C31710959 0.747 4.510 4.422 0.1076 0.8529 0.1641 85DOPE H17X10960 0.767 4.433 4.499 0.4481 -0.7634 -1.4705 85DOPE H17Y10961 0.707 4.448 4.339 -0.7815 0.1033 1.1232 85DOPE C31810962 0.630 4.597 4.468 0.1789 0.8405 0.3696 85DOPE H18X10963 0.650 4.651 4.563 -2.6222 -2.1805 2.9436 85DOPE H18Y10964 0.596 4.660 4.383 -1.1645 -0.6508 -0.2564 85DOPE H18Z10965 0.543 4.531 4.490 1.5282 -0.5575 1.8538 86DOPE N10966 1.603 5.361 2.308 -0.0385 0.2990 -0.2839 86DOPE HN110967 1.617 5.422 2.225 -1.9800 1.8569 0.4461 86DOPE HN210968 1.601 5.423 2.392 1.4145 1.4218 -1.0291 86DOPE HN310969 1.674 5.286 2.313 0.7196 1.0749 1.5273 86DOPE C1210970 1.473 5.287 2.292 0.1279 -0.0954 0.1560 86DOPE H12A10971 1.445 5.227 2.381 0.4842 -0.1943 0.1999 86DOPE H12B10972 1.483 5.219 2.205 -2.9097 -0.5660 0.0406 86DOPE C1110973 1.352 5.379 2.273 -0.0240 -0.3828 -0.2880 86DOPE H11A10974 1.342 5.428 2.372 1.6644 0.2883 -0.4197 86DOPE H11B10975 1.265 5.319 2.238 -0.9947 2.5112 -3.3425 86DOPE P10976 1.254 5.546 2.116 0.0407 0.0319 -0.1704 86DOPE O1310977 1.176 5.439 2.049 -0.1378 -0.3366 0.6127 86DOPE O1410978 1.292 5.662 2.033 -0.3704 -0.2779 -0.7968 86DOPE O1110979 1.165 5.609 2.234 -0.1027 0.0727 -0.3002 86DOPE O1210980 1.385 5.487 2.186 -0.1129 -0.1549 -0.0386 86DOPE C110981 1.119 5.744 2.229 -0.6893 -0.1158 -0.0614 86DOPE HA10982 1.023 5.760 2.284 -0.7487 0.3853 -0.3084 86DOPE HB10983 1.095 5.783 2.128 -0.3121 0.2316 -0.0183 86DOPE C210984 1.225 5.840 2.285 -0.0410 -0.4564 -0.6968 86DOPE HS10985 1.323 5.828 2.234 0.7127 -0.4425 0.7054 86DOPE O2110986 1.238 5.817 2.425 0.0868 -0.5508 -0.7240 86DOPE C2110987 1.350 5.864 2.480 -0.3451 -0.3980 0.0459 86DOPE O2210988 1.438 5.919 2.415 0.2044 -0.6819 0.5362 86DOPE C2210989 1.347 5.853 2.632 0.0747 0.5200 0.1283 86DOPE H2R10990 1.288 5.765 2.664 -1.3885 1.1995 -0.5896 86DOPE H2S10991 1.305 5.943 2.681 -0.7495 0.1129 0.1903 86DOPE C310992 1.179 5.984 2.256 -0.4202 -0.4355 -0.0364 86DOPE HX10993 1.161 5.992 2.146 2.7584 -0.2251 -0.6426 86DOPE HY10994 1.253 6.065 2.275 -0.2205 -0.2729 -1.3890 86DOPE O3110995 1.049 6.000 2.311 -0.5573 -0.1820 -0.4289 86DOPE C3110996 1.053 6.064 2.428 0.1985 -0.8492 -0.0867 86DOPE O3210997 1.156 6.104 2.481 -0.2091 0.3654 -0.1869 86DOPE C3210998 0.915 6.079 2.490 0.1979 0.3449 -0.3601 86DOPE H2X10999 0.860 6.170 2.457 -2.4399 -0.0844 2.3878 86DOPE H2Y11000 0.854 5.992 2.458 -1.7975 0.7735 1.9966 86DOPE C2311001 1.491 5.834 2.680 0.1797 0.2962 -0.2694 86DOPE H3R11002 1.565 5.915 2.660 -2.0724 3.2813 2.4973 86DOPE H3S11003 1.530 5.744 2.628 0.1169 0.3927 -0.4897 86DOPE C2411004 1.497 5.794 2.827 0.3681 0.6058 -0.1911 86DOPE H4R11005 1.414 5.725 2.852 0.4952 0.5129 -0.0220 86DOPE H4S11006 1.478 5.883 2.890 1.6894 -1.9337 4.2403 86DOPE C2511007 1.625 5.730 2.882 -0.0634 -0.0232 0.0924 86DOPE H5R11008 1.716 5.790 2.864 1.9017 -3.4466 -2.6839 86DOPE H5S11009 1.642 5.643 2.814 0.8593 0.8226 -0.7882 86DOPE C2611010 1.614 5.667 3.021 0.1958 -0.0517 0.1010 86DOPE H6R11011 1.684 5.581 3.030 0.0134 -0.1008 1.2179 86DOPE H6S11012 1.514 5.617 3.024 0.7050 -1.1987 -0.9715 86DOPE C2711013 1.635 5.760 3.140 -0.1383 0.1459 0.0065 86DOPE H7R11014 1.573 5.851 3.125 -0.8096 0.0391 1.8762 86DOPE H7S11015 1.742 5.790 3.136 -0.5096 1.7425 0.9776 86DOPE C2811016 1.578 5.699 3.268 -0.1462 0.0382 -0.0489 86DOPE H8R11017 1.633 5.603 3.284 0.3131 0.4354 0.8125 86DOPE H8S11018 1.471 5.675 3.249 -0.4352 -0.2841 1.7816 86DOPE C2911019 1.590 5.796 3.382 -0.3643 0.1954 -0.1603 86DOPE H9R11020 1.660 5.879 3.360 1.1568 -1.1962 -0.7821 86DOPE C21011021 1.521 5.789 3.496 0.2195 0.3693 0.2062 86DOPE H10R11022 1.539 5.869 3.569 0.9654 0.6701 -0.2981 86DOPE C21111023 1.427 5.678 3.535 0.4026 0.1492 0.0194 86DOPE H11R11024 1.440 5.587 3.473 -2.0155 0.7189 -1.4286 86DOPE H11S11025 1.322 5.706 3.512 0.2509 0.5280 1.1394 86DOPE C21211026 1.419 5.663 3.687 -0.0009 -0.2483 -0.0400 86DOPE H12R11027 1.516 5.689 3.734 0.6872 0.0363 -1.5481 86DOPE H12S11028 1.397 5.557 3.712 -1.8798 -0.8789 -3.6489 86DOPE C21311029 1.307 5.744 3.752 0.1330 0.0904 -0.2245 86DOPE H13R11030 1.211 5.709 3.708 -0.4947 3.2939 -1.6745 86DOPE H13S11031 1.313 5.849 3.717 -1.5974 0.4271 0.3901 86DOPE C21411032 1.316 5.744 3.905 -0.3652 -0.1768 -0.1915 86DOPE H14R11033 1.400 5.810 3.936 -0.4763 -0.3762 0.5532 86DOPE H14S11034 1.328 5.639 3.939 -0.4932 -0.0952 0.1086 86DOPE C21511035 1.185 5.792 3.969 -0.1379 -0.0982 0.2135 86DOPE H15R11036 1.113 5.708 3.960 0.5464 -0.5271 -1.8150 86DOPE H15S11037 1.146 5.882 3.918 -0.3124 0.6321 1.5828 86DOPE C21611038 1.211 5.836 4.114 0.3106 -0.2673 0.1886 86DOPE H16R11039 1.285 5.918 4.120 -0.1385 0.4413 -2.6187 86DOPE H16S11040 1.257 5.750 4.167 0.0726 -1.1525 -0.9730 86DOPE C21711041 1.085 5.890 4.183 0.7100 0.3798 0.4118 86DOPE H17R11042 1.009 5.810 4.188 3.6648 -2.5973 1.2523 86DOPE H17S11043 1.041 5.975 4.125 0.3579 -0.3547 -0.4205 86DOPE C21811044 1.110 5.951 4.320 0.8755 0.0728 0.5176 86DOPE H18R11045 1.194 6.024 4.308 -1.1472 2.4318 -0.2713 86DOPE H18S11046 1.142 5.869 4.388 -0.7739 -0.2922 0.8798 86DOPE H18T11047 1.025 6.015 4.353 1.3687 0.7516 0.5044 86DOPE C3311048 0.925 6.083 2.642 0.3514 -0.3878 -0.3486 86DOPE H3X11049 0.830 6.115 2.691 0.7612 -0.9753 0.8710 86DOPE H3Y11050 0.998 6.160 2.674 0.5184 0.0618 -1.7564 86DOPE C3411051 0.961 5.947 2.703 -0.0596 -0.2942 0.1206 86DOPE H4X11052 1.063 5.908 2.682 -0.6658 -1.6437 -0.3532 86DOPE H4Y11053 0.908 5.874 2.639 0.7334 -1.7161 1.0310 86DOPE C3511054 0.913 5.925 2.847 0.2276 -0.0549 0.2546 86DOPE H5X11055 0.877 5.820 2.847 -1.1009 0.3045 -2.6065 86DOPE H5Y11056 0.818 5.979 2.863 0.0988 0.2600 -1.3480 86DOPE C3611057 1.018 5.946 2.957 -0.0873 -0.6040 0.6634 86DOPE H6X11058 1.046 6.054 2.962 -0.6912 -0.3148 -1.2863 86DOPE H6Y11059 0.960 5.931 3.051 -0.8855 0.7700 0.4131 86DOPE C3711060 1.138 5.853 2.944 0.2472 -0.0624 -0.2689 86DOPE H7X11061 1.092 5.758 2.909 -0.1841 0.5503 -1.3998 86DOPE H7Y11062 1.205 5.888 2.863 -1.6390 0.2002 -1.7842 86DOPE C3811063 1.213 5.836 3.076 -0.5985 0.6347 0.3161 86DOPE H8X11064 1.138 5.786 3.141 -0.4310 -1.9697 -1.3249 86DOPE H8Y11065 1.296 5.765 3.053 -1.1466 -0.1301 0.6548 86DOPE C3911066 1.296 5.954 3.117 -0.4056 0.4260 0.5360 86DOPE H9X11067 1.385 5.968 3.053 -1.5838 0.0026 -1.2552 86DOPE C31011068 1.280 6.038 3.220 0.2098 0.4877 0.5860 86DOPE H10X11069 1.351 6.122 3.224 1.9489 -0.8297 -0.7300 86DOPE C31111070 1.170 6.023 3.321 0.1050 -0.4769 0.3380 86DOPE H11X11071 1.148 5.920 3.356 1.7355 -0.9360 0.0866 86DOPE H11Y11072 1.077 6.068 3.279 1.0692 0.8228 -0.4913 86DOPE C31211073 1.205 6.087 3.455 -0.2210 0.2395 0.0889 86DOPE H12X11074 1.300 6.045 3.494 -0.6609 -0.0273 0.9097 86DOPE H12Y11075 1.224 6.196 3.457 -0.1863 0.2317 0.1823 86DOPE C31311076 1.103 6.053 3.565 0.1266 -0.5470 0.1760 86DOPE H13X11077 1.087 5.943 3.560 0.5050 -0.6120 0.2796 86DOPE H13Y11078 1.012 6.110 3.537 1.2223 0.4210 -1.6016 86DOPE C31411079 1.137 6.102 3.706 0.0218 0.1490 -0.0356 86DOPE H14X11080 1.241 6.072 3.730 -0.2789 -1.2523 -0.3834 86DOPE H14Y11081 1.063 6.058 3.777 -0.8059 2.6058 0.7413 86DOPE C31511082 1.131 6.254 3.723 -0.2030 0.1159 0.1966 86DOPE H15X11083 1.027 6.289 3.704 -0.2075 -1.1162 -2.6084 86DOPE H15Y11084 1.202 6.308 3.656 0.1346 -1.3818 -0.7063 86DOPE C31611085 1.164 6.290 3.868 -0.0603 0.1554 0.1543 86DOPE H16X11086 1.101 6.229 3.937 -1.7617 0.9533 -0.6297 86DOPE H16Y11087 1.268 6.252 3.877 -1.1732 -3.2058 0.4658 86DOPE C31711088 1.163 6.441 3.887 -0.2223 0.1018 0.5776 86DOPE H17X11089 1.062 6.488 3.883 -1.3123 -2.0905 1.0390 86DOPE H17Y11090 1.226 6.478 3.803 -2.9146 0.0569 -1.5973 86DOPE C31811091 1.233 6.484 4.016 0.3269 0.2882 0.2236 86DOPE H18X11092 1.186 6.456 4.113 -1.1283 1.0300 -0.2471 86DOPE H18Y11093 1.337 6.447 4.032 0.2171 -0.0396 0.1981 86DOPE H18Z11094 1.225 6.595 4.014 -1.9824 0.2157 1.6587 87DOPE N11095 4.922 3.856 2.510 0.1907 -0.3410 0.0817 87DOPE HN111096 4.926 3.935 2.577 -1.5403 0.4236 -0.6652 87DOPE HN211097 4.994 3.785 2.536 -0.3601 -0.5016 1.1776 87DOPE HN311098 4.969 3.891 2.423 -0.0321 0.9762 0.4745 87DOPE C1211099 4.789 3.791 2.481 0.3731 -0.3093 -0.8733 87DOPE H12A11100 4.752 3.755 2.579 0.5522 -1.9309 -1.3839 87DOPE H12B11101 4.797 3.704 2.412 2.3057 -0.8788 -0.0039 87DOPE C1111102 4.681 3.892 2.442 0.3872 -0.1887 -0.6024 87DOPE H11A11103 4.583 3.839 2.443 0.8573 -1.1511 1.9202 87DOPE H11B11104 4.705 3.921 2.338 -0.2484 0.7777 -0.4960 87DOPE P11105 4.545 4.078 2.535 -0.0168 -0.2005 -0.0208 87DOPE O1311106 4.495 4.086 2.396 0.6802 0.0097 -0.2633 87DOPE O1411107 4.554 4.209 2.603 -0.9938 0.0672 -0.3891 87DOPE O1111108 4.455 3.987 2.631 -0.0033 -0.0091 0.1736 87DOPE O1211109 4.689 4.009 2.524 -0.0200 -0.1055 -0.6798 87DOPE C111110 4.315 4.004 2.607 0.0297 0.2639 0.1678 87DOPE HA11111 4.270 3.907 2.639 -1.0348 0.8872 0.6137 87DOPE HB11112 4.281 4.024 2.503 1.2118 0.5603 -0.1790 87DOPE C211113 4.250 4.110 2.698 0.0145 0.2136 0.2151 87DOPE HS11114 4.276 4.210 2.659 0.3711 -0.1550 -0.5133 87DOPE O2111115 4.311 4.077 2.823 0.9001 -0.1621 -0.3054 87DOPE C2111116 4.295 4.178 2.909 0.7154 0.0920 -0.6363 87DOPE O2211117 4.239 4.283 2.883 0.3945 0.2128 0.4859 87DOPE C2211118 4.339 4.142 3.050 -0.3892 0.5707 -0.1611 87DOPE H2R11119 4.450 4.152 3.052 -0.4003 0.7187 -0.2283 87DOPE H2S11120 4.322 4.034 3.068 0.2641 0.5762 0.5610 87DOPE C311121 4.096 4.102 2.697 0.0247 -0.1308 -0.9728 87DOPE HX11122 4.062 4.108 2.592 0.3100 -0.5945 -1.0972 87DOPE HY11123 4.042 4.187 2.743 0.5136 -0.1946 -0.2624 87DOPE O3111124 4.050 3.980 2.756 -0.1538 0.1509 -0.5240 87DOPE C3111125 4.009 3.990 2.883 0.4529 0.3634 -0.3387 87DOPE O3211126 3.984 4.096 2.939 0.2830 0.3648 -0.4141 87DOPE C3211127 3.984 3.853 2.942 -0.1814 0.4243 -0.4556 87DOPE H2X11128 4.075 3.789 2.937 0.1626 0.5822 2.1759 87DOPE H2Y11129 3.906 3.810 2.876 -0.7001 -0.7821 0.8778 87DOPE C2311130 4.268 4.230 3.154 -0.4735 -0.1614 0.4042 87DOPE H3R11131 4.162 4.199 3.157 -0.7273 0.4839 -1.0282 87DOPE H3S11132 4.266 4.331 3.108 0.6316 0.1093 0.9125 87DOPE C2411133 4.340 4.228 3.289 0.0563 0.1197 0.1312 87DOPE H4R11134 4.441 4.270 3.274 -0.9904 2.3327 -1.1858 87DOPE H4S11135 4.342 4.120 3.314 1.7440 -0.0085 -0.4517 87DOPE C2511136 4.270 4.296 3.407 0.0232 0.6365 -0.1834 87DOPE H5R11137 4.182 4.231 3.427 -1.2311 2.2292 -0.3570 87DOPE H5S11138 4.224 4.393 3.379 0.1887 0.4022 -1.3041 87DOPE C2611139 4.344 4.295 3.541 0.0231 -0.6286 -0.1862 87DOPE H6R11140 4.429 4.366 3.543 -0.4402 -0.0194 -1.4677 87DOPE H6S11141 4.390 4.194 3.553 1.9064 0.1690 -0.3017 87DOPE C2711142 4.243 4.315 3.654 0.4655 0.9776 -0.0494 87DOPE H7R11143 4.173 4.228 3.655 2.1081 -0.3928 0.6756 87DOPE H7S11144 4.181 4.402 3.626 -2.4384 -1.4709 -1.9059 87DOPE C2811145 4.312 4.309 3.791 0.7258 0.3087 -0.2049 87DOPE H8R11146 4.337 4.417 3.804 -1.2953 1.1645 -2.5988 87DOPE H8S11147 4.404 4.247 3.786 0.7761 0.1529 1.8925 87DOPE C2911148 4.218 4.259 3.897 0.8170 -0.1613 -0.3441 87DOPE H9R11149 4.111 4.275 3.875 0.6833 -1.1556 -0.4854 87DOPE C21011150 4.251 4.187 4.004 -0.5796 -0.0262 0.1976 87DOPE H10R11151 4.174 4.158 4.077 0.8063 -0.1847 1.6560 87DOPE C21111152 4.390 4.150 4.050 -0.2682 0.8121 -0.0529 87DOPE H11R11153 4.467 4.216 4.006 1.1480 1.1193 2.7048 87DOPE H11S11154 4.409 4.041 4.045 0.7110 1.0305 -1.7678 87DOPE C21211155 4.403 4.192 4.196 0.1910 0.3579 0.0370 87DOPE H12R11156 4.314 4.163 4.257 1.8471 0.7944 2.8810 87DOPE H12S11157 4.407 4.302 4.213 -1.4474 0.2705 1.2182 87DOPE C21311158 4.521 4.121 4.263 0.1828 -0.0631 -0.3924 87DOPE H13R11159 4.508 4.013 4.242 -0.9695 -0.3766 1.6502 87DOPE H13S11160 4.516 4.141 4.372 1.9319 -0.9306 -0.1162 87DOPE C21411161 4.653 4.178 4.211 0.1561 0.0642 -0.3234 87DOPE H14R11162 4.658 4.176 4.100 3.1632 1.4172 -0.3217 87DOPE H14S11163 4.731 4.114 4.258 1.0026 1.1310 -0.2229 87DOPE C21511164 4.686 4.320 4.256 -0.0704 -0.0417 0.1778 87DOPE H15R11165 4.653 4.312 4.362 -1.0022 -1.2945 -0.1826 87DOPE H15S11166 4.625 4.389 4.194 -0.1565 -0.2206 0.0617 87DOPE C21611167 4.834 4.359 4.251 -0.0150 -0.3169 -0.3991 87DOPE H16R11168 4.881 4.332 4.154 0.6053 -1.8333 0.2807 87DOPE H16S11169 4.891 4.297 4.323 0.9584 -0.1227 -0.9836 87DOPE C21711170 4.862 4.504 4.292 0.3114 -0.4494 -0.1471 87DOPE H17R11171 4.861 4.500 4.403 2.5490 -1.9284 -0.1019 87DOPE H17S11172 4.779 4.569 4.257 -0.0683 0.5723 2.4523 87DOPE C21811173 4.995 4.560 4.242 0.3650 -0.1608 0.3182 87DOPE H18R11174 4.997 4.578 4.132 -1.2065 2.7152 0.6687 87DOPE H18S11175 5.085 4.505 4.278 0.6525 -0.3154 -0.5989 87DOPE H18T11176 4.978 4.665 4.276 -2.0954 0.0851 -1.4076 87DOPE C3311177 3.939 3.850 3.088 0.4862 0.2741 -0.2483 87DOPE H3X11178 3.895 3.750 3.106 -1.1247 1.0098 0.1768 87DOPE H3Y11179 3.864 3.930 3.108 -1.4832 -1.4629 -0.3746 87DOPE C3411180 4.052 3.870 3.189 0.2079 -0.0220 0.1252 87DOPE H4X11181 4.092 3.971 3.169 -0.6959 0.5672 1.2135 87DOPE H4Y11182 4.129 3.795 3.161 -0.9948 -0.9098 -0.9212 87DOPE C3511183 4.018 3.854 3.337 -0.6200 0.1861 -0.0397 87DOPE H5X11184 3.964 3.757 3.352 0.3297 -0.1208 1.6482 87DOPE H5Y11185 3.943 3.930 3.368 0.3144 1.9128 -1.8647 87DOPE C3611186 4.147 3.855 3.419 -0.7222 -0.0708 0.1290 87DOPE H6X11187 4.201 3.758 3.423 1.2929 0.7851 -2.9075 87DOPE H6Y11188 4.210 3.943 3.391 -0.4625 -0.2603 0.1182 87DOPE C3711189 4.135 3.886 3.569 0.4225 0.7087 0.0770 87DOPE H7X11190 4.101 3.991 3.584 -1.8159 0.6890 -3.6144 87DOPE H7Y11191 4.056 3.822 3.614 1.2361 -0.9265 -0.7246 87DOPE C3811192 4.263 3.853 3.645 0.2136 0.2468 0.2305 87DOPE H8X11193 4.339 3.911 3.590 0.4792 -0.4317 -0.1309 87DOPE H8Y11194 4.294 3.746 3.646 0.6332 0.3657 0.7746 87DOPE C3911195 4.262 3.907 3.785 -0.5164 0.2160 0.2424 87DOPE H9X11196 4.268 4.017 3.783 0.6925 0.1845 0.8935 87DOPE C31011197 4.273 3.837 3.899 0.2612 0.3750 0.2714 87DOPE H10X11198 4.292 3.889 3.994 -0.6418 0.6448 0.3132 87DOPE C31111199 4.268 3.689 3.922 -0.2725 0.3866 0.2296 87DOPE H11X11200 4.360 3.657 3.975 0.6415 0.7870 -1.0643 87DOPE H11Y11201 4.247 3.647 3.821 -0.8825 2.9496 -0.7846 87DOPE C31211202 4.149 3.659 4.013 -0.3865 0.0961 -0.0124 87DOPE H12X11203 4.177 3.686 4.117 1.5441 -0.0029 -0.4698 87DOPE H12Y11204 4.062 3.721 3.982 -0.4034 0.2527 0.3469 87DOPE C31311205 4.117 3.510 4.026 0.1066 0.0176 0.3251 87DOPE H13X11206 4.195 3.455 4.083 2.5929 -0.0427 -2.8569 87DOPE H13Y11207 4.021 3.492 4.080 -1.0641 0.9915 -1.3554 87DOPE C31411208 4.112 3.434 3.893 1.2403 -0.0528 0.3121 87DOPE H14X11209 4.215 3.412 3.859 0.7395 0.4771 -1.6739 87DOPE H14Y11210 4.066 3.501 3.817 -1.1856 -0.2599 1.4788 87DOPE C31511211 4.036 3.301 3.897 0.3467 0.4394 0.0998 87DOPE H15X11212 4.063 3.257 3.798 -0.1967 1.8730 -0.7250 87DOPE H15Y11213 4.083 3.239 3.976 -0.9827 -0.1432 0.4455 87DOPE C31611214 3.889 3.316 3.937 0.4160 0.4757 0.3423 87DOPE H16X11215 3.865 3.401 4.004 -0.2113 0.7196 -0.1778 87DOPE H16Y11216 3.853 3.225 3.988 1.1005 0.2525 0.4460 87DOPE C31711217 3.799 3.312 3.814 0.0891 -0.0599 0.5987 87DOPE H17X11218 3.807 3.408 3.759 1.4646 -0.0265 0.8326 87DOPE H17Y11219 3.826 3.223 3.752 -3.7728 0.6099 -2.4732 87DOPE C31811220 3.651 3.295 3.849 -0.1242 0.3210 -0.0890 87DOPE H18X11221 3.616 3.359 3.933 -0.1496 0.1539 0.0276 87DOPE H18Y11222 3.637 3.193 3.891 -1.9208 0.8326 0.6377 87DOPE H18Z11223 3.577 3.308 3.768 -0.2456 -1.3749 -0.2811 88DOPE N11224 5.432 4.770 2.277 -0.4192 0.2370 0.0687 88DOPE HN111225 5.523 4.720 2.284 -1.2288 -1.1441 1.3127 88DOPE HN211226 5.376 4.720 2.349 -1.1195 -0.0022 -0.6188 88DOPE HN311227 5.398 4.730 2.187 -0.1677 -1.7033 0.7824 88DOPE C1211228 5.441 4.919 2.300 0.4489 0.2590 -0.3736 88DOPE H12A11229 5.433 4.933 2.410 1.0888 0.8554 -0.3959 88DOPE H12B11230 5.350 4.963 2.256 1.1286 2.2826 0.1477 88DOPE C1111231 5.569 4.979 2.241 0.4739 0.4258 -0.1512 88DOPE H11A11232 5.560 5.089 2.230 -3.5971 0.0264 -3.6213 88DOPE H11B11233 5.576 4.945 2.135 1.4499 0.1757 -0.0218 88DOPE P11234 5.775 5.021 2.387 0.3767 0.0246 0.0677 88DOPE O1311235 5.763 5.161 2.340 -0.2423 -0.1289 -0.2415 88DOPE O1411236 5.909 4.965 2.413 0.3632 0.0437 0.1808 88DOPE O1111237 5.689 4.999 2.520 -0.0531 -0.0161 -0.2154 88DOPE O1211238 5.693 4.926 2.288 0.3335 0.1851 -0.0502 88DOPE C111239 5.611 5.106 2.574 0.2205 0.0848 -0.0171 88DOPE HA11240 5.537 5.058 2.642 -0.9308 -0.9149 -1.9059 88DOPE HB11241 5.546 5.162 2.504 -1.4371 -0.7376 0.7952 88DOPE C211242 5.688 5.204 2.664 0.0737 -0.0096 0.2146 88DOPE HS11243 5.752 5.260 2.593 0.1740 -0.2945 0.0785 88DOPE O2111244 5.776 5.132 2.751 -0.0397 -0.6725 -0.2111 88DOPE C2111245 5.868 5.217 2.797 -0.2670 -0.2678 -0.5017 88DOPE O2211246 5.885 5.332 2.758 0.4664 -0.1704 0.0931 88DOPE C2211247 5.948 5.145 2.904 -0.5541 -0.0914 -0.1670 88DOPE H2R11248 6.042 5.099 2.869 -1.4854 -2.1202 -0.1568 88DOPE H2S11249 5.882 5.065 2.946 -1.2981 1.2032 1.2447 88DOPE C311250 5.600 5.309 2.732 0.1965 0.0985 0.2070 88DOPE HX11251 5.548 5.362 2.650 0.5281 -0.6084 -0.4674 88DOPE HY11252 5.657 5.386 2.788 0.3809 0.6493 -0.7236 88DOPE O3111253 5.508 5.254 2.827 0.2320 -0.0977 0.1271 88DOPE C3111254 5.396 5.322 2.852 0.3727 0.0566 0.3516 88DOPE O3211255 5.360 5.420 2.789 0.2313 -0.1913 0.0383 88DOPE C3211256 5.318 5.262 2.968 -0.2287 0.3984 0.1298 88DOPE H2X11257 5.249 5.336 3.014 -0.8639 -0.4544 0.5843 88DOPE H2Y11258 5.264 5.170 2.937 -1.1497 0.2603 2.0093 88DOPE C2311259 5.966 5.239 3.023 0.5427 -0.1123 -0.3113 88DOPE H3R11260 5.871 5.280 3.063 -0.1479 -1.2168 -0.7817 88DOPE H3S11261 6.024 5.327 2.988 -1.8625 1.3561 -0.8360 88DOPE C2411262 6.022 5.163 3.144 0.0699 0.4824 0.2873 88DOPE H4R11263 6.113 5.105 3.120 0.3704 -0.0898 2.5466 88DOPE H4S11264 5.942 5.089 3.166 -0.3441 0.9511 0.3855 88DOPE C2511265 6.040 5.251 3.268 0.1072 0.2419 0.4530 88DOPE H5R11266 5.943 5.300 3.290 -1.4822 -2.2148 -0.7153 88DOPE H5S11267 6.111 5.333 3.243 -0.4143 0.4111 -0.5220 88DOPE C2611268 6.084 5.168 3.389 0.1233 -0.0022 0.2804 88DOPE H6R11269 6.161 5.097 3.352 -0.7943 -0.9801 0.1951 88DOPE H6S11270 5.992 5.116 3.426 -0.3858 -1.5870 -2.8287 88DOPE C2711271 6.146 5.249 3.502 -0.1889 0.4020 0.1627 88DOPE H7R11272 6.074 5.318 3.554 -1.1458 -0.0287 -0.5602 88DOPE H7S11273 6.231 5.309 3.463 -0.5916 0.2443 -0.9942 88DOPE C2811274 6.195 5.166 3.621 -0.0050 0.2671 -0.0076 88DOPE H8R11275 6.271 5.091 3.592 -2.0177 -1.4970 -1.0194 88DOPE H8S11276 6.110 5.097 3.637 1.1218 -1.2500 -0.3517 88DOPE C2911277 6.251 5.238 3.740 0.0365 0.3260 -0.0621 88DOPE H9R11278 6.314 5.326 3.723 -0.4607 0.4029 -1.6187 88DOPE C21011279 6.214 5.210 3.866 -0.2720 -0.1723 -0.2604 88DOPE H10R11280 6.244 5.281 3.945 1.2353 -1.1507 0.0844 88DOPE C21111281 6.137 5.090 3.912 -0.1992 0.1901 0.8457 88DOPE H11R11282 6.038 5.083 3.862 -1.4078 0.1176 3.0966 88DOPE H11S11283 6.105 5.103 4.018 -0.3911 2.9375 0.5095 88DOPE C21211284 6.217 4.960 3.919 -0.0273 0.2377 -0.1183 88DOPE H12R11285 6.228 4.929 3.813 -1.7592 -0.4833 -0.1239 88DOPE H12S11286 6.163 4.880 3.974 -3.1243 1.4937 -1.1271 88DOPE C21311287 6.356 4.972 3.983 -0.1129 -0.1108 0.1371 88DOPE H13R11288 6.398 5.070 3.950 -0.9186 0.1391 -0.1664 88DOPE H13S11289 6.429 4.896 3.948 0.8204 0.2914 1.1761 88DOPE C21411290 6.344 4.951 4.134 0.4442 -0.3880 0.1448 88DOPE H14R11291 6.306 4.849 4.153 1.8482 -1.0842 -0.6743 88DOPE H14S11292 6.269 5.025 4.169 -0.0441 -0.7942 -0.0444 88DOPE C21511293 6.470 4.990 4.212 0.2649 -0.0778 0.2804 88DOPE H15R11294 6.489 5.099 4.201 -0.5889 -0.1271 -2.5027 88DOPE H15S11295 6.545 4.923 4.166 0.2629 0.6956 -0.8898 88DOPE C21611296 6.460 4.943 4.357 -0.0361 0.0068 0.2877 88DOPE H16R11297 6.444 4.833 4.358 -2.2043 0.2428 -0.7926 88DOPE H16S11298 6.367 4.984 4.402 0.4655 0.4318 0.9458 88DOPE C21711299 6.582 4.976 4.442 -0.0395 0.4909 0.1041 88DOPE H17R11300 6.597 5.085 4.427 -0.3915 0.4692 -0.3948 88DOPE H17S11301 6.673 4.921 4.408 0.2175 1.1967 -0.3690 88DOPE C21811302 6.569 4.944 4.591 0.3545 0.1796 0.0749 88DOPE H18R11303 6.665 4.959 4.643 0.5780 -1.1815 0.1061 88DOPE H18S11304 6.535 4.839 4.606 -0.4629 0.3918 -0.1907 88DOPE H18T11305 6.496 5.009 4.644 0.8184 0.1389 0.7655 88DOPE C3311306 5.410 5.223 3.084 -0.6569 -0.6262 0.1358 88DOPE H3X11307 5.355 5.150 3.147 -0.1713 -2.7955 -1.7955 88DOPE H3Y11308 5.502 5.176 3.042 -0.9191 0.1206 -1.3631 88DOPE C3411309 5.452 5.344 3.168 -0.3643 -0.3411 -0.4151 88DOPE H4X11310 5.548 5.323 3.220 -0.2831 -0.8430 -0.7636 88DOPE H4Y11311 5.480 5.431 3.105 1.0983 0.3191 1.0436 88DOPE C3511312 5.347 5.383 3.272 0.2883 -0.1654 0.1858 88DOPE H5X11313 5.331 5.302 3.347 3.4383 -0.7788 0.3372 88DOPE H5Y11314 5.251 5.397 3.218 -0.7705 -0.3526 1.9412 88DOPE C3611315 5.380 5.509 3.353 -0.4069 0.8732 -1.1148 88DOPE H6X11316 5.452 5.475 3.430 0.4049 0.9507 -1.8258 88DOPE H6Y11317 5.427 5.592 3.295 -0.3136 0.4589 -1.6408 88DOPE C3711318 5.256 5.564 3.424 -0.0531 0.0057 0.2028 88DOPE H7X11319 5.188 5.590 3.340 -0.6027 -2.0820 -0.0649 88DOPE H7Y11320 5.281 5.662 3.468 -0.7826 -0.0453 0.7360 88DOPE C3811321 5.192 5.477 3.532 -0.3583 0.0357 0.0467 88DOPE H8X11322 5.155 5.397 3.464 0.8850 -0.1556 -0.4194 88DOPE H8Y11323 5.267 5.437 3.604 -0.8122 -1.4190 -0.2536 88DOPE C3911324 5.081 5.538 3.613 -0.3379 0.8257 -0.5099 88DOPE H9X11325 4.979 5.514 3.577 0.3016 -2.3631 -0.4482 88DOPE C31011326 5.104 5.611 3.723 0.5728 0.3466 -0.3722 88DOPE H10X11327 5.019 5.668 3.765 0.4051 -0.4776 0.4192 88DOPE C31111328 5.237 5.641 3.786 0.3468 0.8097 -0.1083 88DOPE H11X11329 5.236 5.751 3.801 -1.2065 1.3152 -3.0638 88DOPE H11Y11330 5.324 5.621 3.720 0.2434 1.1585 -0.3583 88DOPE C31211331 5.258 5.586 3.927 -0.5219 -0.1026 -0.3257 88DOPE H12X11332 5.153 5.597 3.964 -0.5181 1.2062 -0.6484 88DOPE H12Y11333 5.327 5.657 3.976 -2.2900 1.8869 -0.5526 88DOPE C31311334 5.315 5.445 3.943 0.2841 0.2862 0.3020 88DOPE H13X11335 5.233 5.383 3.900 0.5598 1.5496 -2.2973 88DOPE H13Y11336 5.412 5.447 3.889 0.5262 -1.0197 0.6662 88DOPE C31411337 5.345 5.409 4.088 0.0739 -0.1067 0.2501 88DOPE H14X11338 5.384 5.305 4.078 0.9206 0.3945 -2.6052 88DOPE H14Y11339 5.421 5.475 4.134 0.5126 0.1358 -0.7949 88DOPE C31511340 5.220 5.410 4.175 0.0208 -0.3344 0.1770 88DOPE H15X11341 5.128 5.377 4.120 -0.8675 -0.0794 1.4598 88DOPE H15Y11342 5.194 5.517 4.190 -0.1956 -0.4803 0.8958 88DOPE C31611343 5.226 5.361 4.320 -0.1736 -0.1513 0.2472 88DOPE H16X11344 5.130 5.379 4.373 -0.4712 1.1626 -0.6686 88DOPE H16Y11345 5.253 5.253 4.320 1.9311 0.3312 -0.1025 88DOPE C31711346 5.326 5.449 4.396 0.1649 -0.3040 -0.0185 88DOPE H17X11347 5.298 5.556 4.390 -0.3546 -0.4859 -1.3415 88DOPE H17Y11348 5.430 5.432 4.361 0.0010 -2.8946 0.5539 88DOPE C31811349 5.325 5.406 4.543 0.1152 -0.2160 0.0070 88DOPE H18X11350 5.328 5.295 4.547 -1.1665 -0.5358 -3.5164 88DOPE H18Y11351 5.409 5.466 4.583 -0.4384 1.0106 -0.5890 88DOPE H18Z11352 5.225 5.436 4.582 0.2972 0.9794 -0.4130 89DOPE N11353 5.633 4.310 2.039 0.1461 0.0340 0.0604 89DOPE HN111354 5.692 4.352 1.965 1.3516 -0.7422 0.5310 89DOPE HN211355 5.679 4.342 2.127 0.3213 1.3326 -0.4947 89DOPE HN311356 5.652 4.208 2.040 -1.7809 -0.3636 0.6987 89DOPE C1211357 5.487 4.346 2.040 0.1128 -0.1038 0.1466 89DOPE H12A11358 5.440 4.317 1.944 -0.0212 0.0342 0.1694 89DOPE H12B11359 5.487 4.457 2.050 -0.0597 -0.0098 -0.7942 89DOPE C1111360 5.410 4.295 2.162 -0.1847 0.4560 0.1997 89DOPE H11A11361 5.303 4.313 2.138 -0.7049 -1.9351 0.4530 89DOPE H11B11362 5.450 4.355 2.247 1.7044 1.1390 -1.1099 89DOPE P11363 5.338 4.101 2.294 -0.0475 0.6448 0.2692 89DOPE O1311364 5.362 3.958 2.323 -0.2200 0.6270 0.3245 89DOPE O1411365 5.200 4.134 2.253 -0.0408 -0.0410 -0.3313 89DOPE O1111366 5.381 4.181 2.425 0.2582 0.4898 0.2641 89DOPE O1211367 5.443 4.158 2.187 -0.3780 0.3288 -0.2324 89DOPE C111368 5.520 4.191 2.460 0.4461 0.2563 -0.4039 89DOPE HA11369 5.529 4.287 2.514 -0.6025 -1.0644 2.2699 89DOPE HB11370 5.584 4.178 2.370 -0.9567 -1.1647 -1.2719 89DOPE C211371 5.554 4.077 2.557 -0.2076 0.2074 -0.2265 89DOPE HS11372 5.565 3.993 2.486 0.2571 1.5618 -1.8269 89DOPE O2111373 5.438 4.061 2.639 -0.0376 -0.3192 -0.0845 89DOPE C2111374 5.428 3.943 2.700 -0.0418 -0.0593 0.4183 89DOPE O2211375 5.506 3.850 2.684 0.1300 0.1496 0.0551 89DOPE C2211376 5.332 3.960 2.817 -0.1436 -0.0577 0.3336 89DOPE H2R11377 5.231 3.973 2.772 1.1090 0.1068 -2.6629 89DOPE H2S11378 5.354 4.059 2.863 0.2286 0.1284 -0.2393 89DOPE C311379 5.679 4.107 2.642 -0.2417 -0.4541 0.0695 89DOPE HX11380 5.759 4.119 2.565 -0.4180 -1.6099 -0.2997 89DOPE HY11381 5.698 4.019 2.706 2.2197 -0.1767 -0.1572 89DOPE O3111382 5.660 4.223 2.723 -0.0622 -0.3094 -0.0928 89DOPE C3111383 5.727 4.232 2.838 -0.6771 -0.5394 0.2917 89DOPE O3211384 5.776 4.139 2.899 -0.1919 -0.2781 0.3113 89DOPE C3211385 5.739 4.381 2.868 -0.4588 -0.4734 -0.1119 89DOPE H2X11386 5.849 4.400 2.862 0.0663 -1.4150 3.6809 89DOPE H2Y11387 5.693 4.433 2.781 0.3973 -0.4468 -0.5629 89DOPE C2311388 5.340 3.838 2.908 -0.6952 -0.5087 -0.2136 89DOPE H3R11389 5.351 3.752 2.837 -0.1801 -0.4592 -0.2007 89DOPE H3S11390 5.242 3.842 2.958 -1.0156 3.1544 -0.9091 89DOPE C2411391 5.442 3.848 3.022 -0.1782 0.0602 -0.7198 89DOPE H4R11392 5.539 3.874 2.974 -0.8152 -0.5196 -2.3803 89DOPE H4S11393 5.454 3.745 3.062 -0.4019 0.7378 1.1946 89DOPE C2511394 5.393 3.949 3.126 0.3255 -0.2094 -0.2181 89DOPE H5R11395 5.303 3.906 3.177 -0.3670 -0.0451 -1.2793 89DOPE H5S11396 5.358 4.046 3.087 -2.3800 -1.1659 -0.3885 89DOPE C2611397 5.500 3.981 3.231 -0.3251 -0.1085 0.4254 89DOPE H6R11398 5.583 4.038 3.184 -1.5444 -0.4694 -2.3704 89DOPE H6S11399 5.540 3.888 3.275 1.7512 0.7262 0.4392 89DOPE C2711400 5.444 4.072 3.341 -0.0870 0.2290 0.2724 89DOPE H7R11401 5.344 4.035 3.374 -0.6671 1.5488 0.0364 89DOPE H7S11402 5.432 4.176 3.306 -0.6161 -0.0774 -0.4997 89DOPE C2811403 5.530 4.070 3.467 -0.4919 -0.2621 0.5439 89DOPE H8R11404 5.497 4.157 3.527 -2.5558 -2.0649 2.2398 89DOPE H8S11405 5.633 4.076 3.427 -0.3172 -0.7795 0.8969 89DOPE C2911406 5.521 3.942 3.546 0.0270 -0.3138 0.5196 89DOPE H9R11407 5.599 3.868 3.522 -0.3861 -0.6623 0.2406 89DOPE C21011408 5.428 3.921 3.640 -0.7764 -0.1492 -0.2296 89DOPE H10R11409 5.421 3.824 3.692 1.4676 0.4118 1.2643 89DOPE C21111410 5.318 4.020 3.667 -0.5378 0.1327 -0.2931 89DOPE H11R11411 5.232 3.977 3.723 -0.0454 -0.9131 -0.3061 89DOPE H11S11412 5.275 4.060 3.573 -1.7960 -0.0662 0.1776 89DOPE C21211413 5.362 4.132 3.762 0.2654 -0.0204 -0.4720 89DOPE H12R11414 5.470 4.155 3.760 0.3586 -0.4547 -0.6196 89DOPE H12S11415 5.328 4.115 3.867 -0.8907 -1.4105 -1.0286 89DOPE C21311416 5.304 4.267 3.719 0.2601 0.2158 0.2621 89DOPE H13R11417 5.329 4.287 3.613 0.2433 2.7605 0.6978 89DOPE H13S11418 5.345 4.348 3.783 2.9306 -0.3722 -0.5647 89DOPE C21411419 5.151 4.268 3.732 0.2275 -0.3531 -0.0311 89DOPE H14R11420 5.123 4.246 3.837 1.5679 1.0697 0.6653 89DOPE H14S11421 5.112 4.186 3.668 0.2648 0.1836 -0.7471 89DOPE C21511422 5.073 4.386 3.676 0.0034 -0.4188 0.1417 89DOPE H15R11423 5.115 4.396 3.574 1.5444 0.5365 0.8136 89DOPE H15S11424 5.102 4.477 3.735 0.8366 -1.0560 0.7422 89DOPE C21611425 4.921 4.386 3.691 0.0401 0.2603 0.6145 89DOPE H16R11426 4.877 4.298 3.638 -0.6237 -0.4038 2.2099 89DOPE H16S11427 4.875 4.473 3.640 -1.7605 -1.1014 -0.2285 89DOPE C21711428 4.880 4.397 3.838 -0.1682 -0.8332 0.6454 89DOPE H17R11429 4.909 4.498 3.874 -1.8476 0.0926 -0.4915 89DOPE H17S11430 4.948 4.330 3.895 0.7728 -1.0326 -0.6762 89DOPE C21811431 4.734 4.360 3.862 -0.3748 -0.1040 0.5370 89DOPE H18R11432 4.668 4.439 3.820 0.5094 -0.9146 -2.6545 89DOPE H18S11433 4.719 4.370 3.972 -1.4800 1.3315 0.2921 89DOPE H18T11434 4.697 4.269 3.809 -1.3468 0.2728 0.5550 89DOPE C3311435 5.685 4.417 3.006 0.3700 -0.0276 0.1053 89DOPE H3X11436 5.691 4.527 3.018 -3.7585 0.4337 -0.4949 89DOPE H3Y11437 5.580 4.382 3.009 0.5926 -0.6728 1.3470 89DOPE C3411438 5.762 4.352 3.122 -0.0996 -0.7950 -0.0068 89DOPE H4X11439 5.760 4.242 3.107 -0.1429 -0.3998 -3.9295 89DOPE H4Y11440 5.866 4.386 3.141 0.2468 -2.3690 1.0713 89DOPE C3511441 5.691 4.396 3.250 0.3778 -0.1676 0.0463 89DOPE H5X11442 5.598 4.338 3.267 0.1347 -0.2155 -1.3480 89DOPE H5Y11443 5.686 4.507 3.248 2.7189 -0.0050 -1.9332 89DOPE C3611444 5.790 4.351 3.358 -0.2892 -0.4696 0.5362 89DOPE H6X11445 5.812 4.244 3.336 1.0839 -0.0584 -0.1886 89DOPE H6Y11446 5.879 4.414 3.339 0.0195 -1.2696 -0.8271 89DOPE C3711447 5.748 4.380 3.502 -0.6917 -0.2705 0.3803 89DOPE H7X11448 5.737 4.489 3.520 -0.5058 -0.1275 -0.3457 89DOPE H7Y11449 5.650 4.330 3.522 -0.1538 -1.9108 -0.8783 89DOPE C3811450 5.857 4.326 3.595 0.1054 -0.3125 -0.5699 89DOPE H8X11451 5.958 4.337 3.549 0.5066 -0.1913 0.3307 89DOPE H8Y11452 5.855 4.402 3.675 -0.7892 -0.2416 -0.6431 89DOPE C3911453 5.831 4.184 3.637 0.1372 -0.2820 -0.4473 89DOPE H9X11454 5.864 4.116 3.557 -1.4214 0.6352 -1.9481 89DOPE C31011455 5.794 4.139 3.758 0.1247 0.6776 -0.0855 89DOPE H10X11456 5.777 4.031 3.769 0.4725 0.6736 0.4244 89DOPE C31111457 5.743 4.226 3.869 0.2795 0.2465 0.3283 89DOPE H11X11458 5.650 4.175 3.903 -0.3538 1.0991 -0.0768 89DOPE H11Y11459 5.712 4.329 3.839 2.2934 1.1166 1.0720 89DOPE C31211460 5.849 4.236 3.978 0.8304 0.2841 -0.2049 89DOPE H12X11461 5.944 4.257 3.925 0.0544 3.8974 -0.4393 89DOPE H12Y11462 5.864 4.144 4.039 2.9234 1.2609 0.8442 89DOPE C31311463 5.831 4.352 4.077 0.2015 -0.3390 0.4206 89DOPE H13X11464 5.907 4.334 4.156 0.2669 -0.1634 0.3976 89DOPE H13Y11465 5.839 4.444 4.016 0.6990 -0.9324 -0.4359 89DOPE C31411466 5.694 4.342 4.145 -0.1878 0.0316 -0.3042 89DOPE H14X11467 5.620 4.376 4.069 1.9916 -0.2010 -2.6650 89DOPE H14Y11468 5.670 4.241 4.183 -0.3473 0.7647 1.6316 89DOPE C31511469 5.690 4.421 4.275 -0.1825 -0.2211 -0.1495 89DOPE H15X11470 5.778 4.383 4.331 0.3405 -0.6380 -1.2421 89DOPE H15Y11471 5.711 4.530 4.265 1.2040 -0.4335 0.2274 89DOPE C31611472 5.555 4.403 4.345 0.0963 0.1734 0.5049 89DOPE H16X11473 5.562 4.420 4.454 0.7475 -0.4364 0.5646 89DOPE H16Y11474 5.514 4.301 4.330 -2.2350 1.0735 0.3065 89DOPE C31711475 5.444 4.493 4.290 -0.0195 -0.3077 -0.0635 89DOPE H17X11476 5.425 4.466 4.184 -0.1505 -0.1221 -0.0879 89DOPE H17Y11477 5.359 4.489 4.361 1.2174 2.8281 1.8267 89DOPE C31811478 5.480 4.641 4.292 0.0415 -0.3208 -0.2340 89DOPE H18X11479 5.558 4.677 4.221 1.1554 -0.3920 0.9213 89DOPE H18Y11480 5.383 4.693 4.279 -0.5357 -1.0797 0.9154 89DOPE H18Z11481 5.503 4.677 4.395 -4.1087 0.7720 0.4990 90DOPE N11482 5.266 2.784 2.678 -0.4129 0.2957 -0.2819 90DOPE HN111483 5.248 2.811 2.579 -1.1051 -0.3349 -0.3326 90DOPE HN211484 5.366 2.762 2.697 -0.5643 0.9332 1.4506 90DOPE HN311485 5.225 2.691 2.701 2.5195 -0.6181 1.9629 90DOPE C1211486 5.236 2.896 2.774 -0.7562 -0.2922 0.3050 90DOPE H12A11487 5.216 2.859 2.877 0.9115 0.2256 0.8482 90DOPE H12B11488 5.147 2.946 2.730 0.8339 0.1508 -2.6102 90DOPE C1111489 5.343 3.005 2.767 -0.3198 -0.7681 -0.5574 90DOPE H11A11490 5.447 2.969 2.778 -0.0704 0.2069 0.4916 90DOPE H11B11491 5.321 3.070 2.855 -0.2884 1.0799 -1.8588 90DOPE P11492 5.424 3.209 2.632 0.0996 0.0916 0.3992 90DOPE O1311493 5.358 3.308 2.544 -0.2703 -0.9112 -0.4766 90DOPE O1411494 5.550 3.152 2.579 -0.0994 -0.0395 0.0643 90DOPE O1111495 5.445 3.265 2.780 -0.1567 -0.0811 0.5029 90DOPE O1211496 5.326 3.083 2.648 0.3213 -0.1707 -0.2642 90DOPE C111497 5.556 3.350 2.811 0.0099 -0.0575 -0.1488 90DOPE HA11498 5.527 3.404 2.904 2.5518 2.4315 -0.6702 90DOPE HB11499 5.561 3.432 2.735 0.1737 -0.1787 -0.2697 90DOPE C211500 5.686 3.280 2.855 -0.1679 -0.0164 0.4417 90DOPE HS11501 5.715 3.236 2.757 -2.0653 -1.2058 0.3594 90DOPE O2111502 5.658 3.180 2.953 0.2331 -0.2010 0.3667 90DOPE C2111503 5.752 3.085 2.951 0.2612 -0.1616 -0.2069 90DOPE O2211504 5.848 3.070 2.877 0.4696 -0.0645 0.0413 90DOPE C2211505 5.713 2.980 3.055 -0.2729 0.1650 -0.0754 90DOPE H2R11506 5.739 2.881 3.013 -1.1845 0.1615 -0.6656 90DOPE H2S11507 5.604 2.986 3.076 -0.2964 -1.2659 0.2851 90DOPE C311508 5.786 3.383 2.910 -0.1073 0.3382 -0.3185 90DOPE HX11509 5.793 3.452 2.823 -0.0266 -0.6247 -1.0877 90DOPE HY11510 5.887 3.341 2.928 -0.0442 0.3907 -0.5483 90DOPE O3111511 5.737 3.451 3.026 -0.2812 -0.4875 0.0961 90DOPE C3111512 5.827 3.538 3.070 -0.4469 -0.3529 0.1720 90DOPE O3211513 5.937 3.551 3.018 -0.5596 0.2310 0.0767 90DOPE C3211514 5.766 3.610 3.189 0.0198 0.6277 -0.1699 90DOPE H2X11515 5.764 3.719 3.167 1.6632 0.5375 -0.8984 90DOPE H2Y11516 5.661 3.576 3.198 -0.2185 0.7892 -1.9649 90DOPE C2311517 5.805 3.002 3.175 0.1605 -0.0950 -0.3567 90DOPE H3R11518 5.913 3.009 3.150 -0.2589 0.6405 -2.1473 90DOPE H3S11519 5.790 2.926 3.256 0.1412 -0.0778 -0.3440 90DOPE C2411520 5.774 3.135 3.243 -0.2171 -0.2203 -0.2787 90DOPE H4R11521 5.667 3.145 3.270 -0.2524 -0.0406 -0.4897 90DOPE H4S11522 5.792 3.220 3.174 -2.0457 1.2685 0.9532 90DOPE C2511523 5.856 3.162 3.370 -0.4028 0.0343 -0.2121 90DOPE H5R11524 5.905 3.262 3.367 -0.7926 0.2114 -1.1800 90DOPE H5S11525 5.939 3.089 3.368 0.5130 1.0422 -1.5203 90DOPE C2611526 5.781 3.144 3.502 0.3496 -0.2302 0.1831 90DOPE H6R11527 5.752 3.038 3.521 -1.9849 0.3936 0.3555 90DOPE H6S11528 5.686 3.201 3.502 1.3197 1.4419 0.3596 90DOPE C2711529 5.850 3.211 3.621 -0.0268 0.0857 0.2239 90DOPE H7R11530 5.773 3.217 3.701 -0.7438 -0.7161 -0.3891 90DOPE H7S11531 5.862 3.316 3.586 1.0563 -0.9380 -2.8039 90DOPE C2811532 5.984 3.159 3.671 -0.1004 -0.3542 -0.0278 90DOPE H8R11533 6.046 3.132 3.583 -0.4442 1.5337 -0.8898 90DOPE H8S11534 5.975 3.078 3.746 -0.5919 1.5419 2.0721 90DOPE C2911535 6.061 3.267 3.743 -0.2784 -0.1500 -0.1449 90DOPE H9R11536 6.153 3.299 3.693 -0.2134 -0.1421 -0.0242 90DOPE C21011537 6.045 3.292 3.874 -0.4337 -0.0731 -0.1777 90DOPE H10R11538 6.103 3.377 3.911 -0.0701 0.3465 -1.6339 90DOPE C21111539 5.949 3.230 3.971 -0.6201 0.1961 -0.1908 90DOPE H11R11540 5.882 3.153 3.927 -0.2067 -0.5137 0.4020 90DOPE H11S11541 5.888 3.317 4.003 1.0387 1.4737 -0.3788 90DOPE C21211542 6.023 3.171 4.091 -0.0090 0.1605 -0.5812 90DOPE H12R11543 6.066 3.251 4.154 0.6192 -0.5985 -0.0163 90DOPE H12S11544 6.107 3.104 4.060 0.3402 -0.7253 2.0193 90DOPE C21311545 5.930 3.083 4.175 0.3174 0.0991 -0.2819 90DOPE H13R11546 5.985 3.026 4.253 -1.0291 -0.7057 0.1105 90DOPE H13S11547 5.862 3.018 4.116 -1.3549 0.4875 1.1517 90DOPE C21411548 5.843 3.170 4.266 0.0379 -0.3412 -0.1232 90DOPE H14R11549 5.753 3.115 4.301 -0.2759 0.4508 0.3321 90DOPE H14S11550 5.814 3.259 4.207 -1.1660 -1.4832 -1.3239 90DOPE C21511551 5.921 3.220 4.388 -0.2776 -0.0244 -0.0504 90DOPE H15R11552 6.000 3.294 4.359 -0.6363 0.6727 0.7174 90DOPE H15S11553 5.970 3.131 4.433 -1.2002 -0.2307 0.5820 90DOPE C21611554 5.837 3.295 4.492 -0.1260 -0.2201 0.2131 90DOPE H16R11555 5.900 3.324 4.578 -0.4722 -0.4278 0.5379 90DOPE H16S11556 5.758 3.229 4.533 -1.7629 1.0162 -0.8465 90DOPE C21711557 5.759 3.416 4.441 -0.0425 -0.3734 -0.2838 90DOPE H17R11558 5.713 3.464 4.530 -0.6843 -0.7879 -0.3829 90DOPE H17S11559 5.680 3.381 4.370 1.5352 1.0136 -2.8587 90DOPE C21811560 5.842 3.513 4.357 0.3432 -0.1662 0.3326 90DOPE H18R11561 5.850 3.475 4.253 0.7792 -1.8432 0.9387 90DOPE H18S11562 5.934 3.537 4.413 0.9232 -1.1756 -0.1477 90DOPE H18T11563 5.786 3.607 4.338 -0.8608 -0.8476 0.3815 90DOPE C3311564 5.848 3.594 3.317 -0.1736 -0.2648 -0.1512 90DOPE H3X11565 5.952 3.617 3.286 -0.4073 -0.1807 -0.8820 90DOPE H3Y11566 5.832 3.487 3.341 -0.6279 0.1379 1.4838 90DOPE C3411567 5.804 3.674 3.440 0.2327 0.1348 -0.2631 90DOPE H4X11568 5.830 3.782 3.426 1.0574 0.1081 0.8716 90DOPE H4Y11569 5.696 3.677 3.468 0.4019 1.3808 0.3342 90DOPE C3511570 5.886 3.632 3.561 -0.3734 -0.5881 -0.0974 90DOPE H5X11571 5.994 3.632 3.532 -0.5101 2.5196 -0.9073 90DOPE H5Y11572 5.848 3.533 3.594 -1.8904 -0.4129 -1.2698 90DOPE C3611573 5.875 3.732 3.677 -0.0166 -0.3880 -0.2332 90DOPE H6X11574 5.887 3.838 3.644 1.3955 -0.5228 -0.2004 90DOPE H6Y11575 5.776 3.712 3.724 -0.4010 -2.3025 -1.7134 90DOPE C3711576 5.975 3.702 3.788 -0.4993 -0.4259 0.1918 90DOPE H7X11577 5.937 3.614 3.844 -1.1149 0.7630 1.7426 90DOPE H7Y11578 6.070 3.675 3.739 -1.1610 0.3811 -1.6263 90DOPE C3811579 5.985 3.822 3.883 -0.0391 -0.2344 -0.0955 90DOPE H8X11580 5.990 3.915 3.822 -1.2938 0.6245 1.0340 90DOPE H8Y11581 5.892 3.832 3.943 -0.2232 0.1648 -0.4398 90DOPE C3911582 6.108 3.804 3.967 0.0942 -0.2464 -0.2903 90DOPE H9X11583 6.210 3.799 3.926 0.4410 2.0243 0.1968 90DOPE C31011584 6.103 3.783 4.099 0.0291 0.0303 -0.2483 90DOPE H10X11585 6.194 3.760 4.156 -1.3599 -0.1695 2.0353 90DOPE C31111586 5.988 3.765 4.194 -0.1793 0.4223 -0.4207 90DOPE H11X11587 5.894 3.730 4.147 -0.8721 2.0801 -0.3234 90DOPE H11Y11588 6.022 3.671 4.243 0.7845 0.7407 -0.4498 90DOPE C31211589 5.959 3.877 4.294 0.3538 0.5172 -0.3699 90DOPE H12X11590 5.887 3.840 4.370 -0.1866 1.7194 -0.2716 90DOPE H12Y11591 5.912 3.962 4.239 0.2862 0.8603 0.2115 90DOPE C31311592 6.088 3.926 4.361 0.7570 -0.4081 -0.4432 90DOPE H13X11593 6.116 3.849 4.436 -1.0804 0.4440 1.2341 90DOPE H13Y11594 6.162 3.939 4.280 -0.6724 1.0702 -1.5989 90DOPE C31411595 6.079 4.061 4.434 -0.2241 -0.2715 -0.7921 90DOPE H14X11596 6.179 4.080 4.478 0.2068 -4.4530 0.4641 90DOPE H14Y11597 6.059 4.129 4.348 -0.8096 -1.8740 -1.9730 90DOPE C31511598 5.966 4.076 4.536 0.2528 -0.0508 -0.2863 90DOPE H15X11599 5.978 4.004 4.620 -1.2228 -0.0026 -0.0128 90DOPE H15Y11600 5.872 4.050 4.484 -0.0661 1.3707 -0.4490 90DOPE C31611601 5.956 4.220 4.584 0.2339 -0.1503 0.0102 90DOPE H16X11602 5.976 4.286 4.497 0.0690 -1.4076 -1.0086 90DOPE H16Y11603 6.038 4.227 4.659 -0.0042 -1.4288 0.4154 90DOPE C31711604 5.819 4.251 4.644 0.1280 0.3045 -0.4503 90DOPE H17X11605 5.802 4.360 4.643 -0.4590 0.2267 0.1140 90DOPE H17Y11606 5.741 4.207 4.578 0.3307 -0.8698 0.0620 90DOPE C31811607 5.795 4.194 4.784 0.5802 -0.3879 -0.6473 90DOPE H18X11608 5.842 4.252 4.866 -1.1825 1.2770 -0.7446 90DOPE H18Y11609 5.687 4.184 4.810 0.0817 2.7785 -1.1087 90DOPE H18Z11610 5.836 4.091 4.790 0.3286 -0.4829 -0.5305 91DOPE N11611 5.040 4.963 2.189 -0.0813 -0.1042 -0.1487 91DOPE HN111612 4.987 4.877 2.165 -0.7577 -0.2647 1.7028 91DOPE HN211613 5.123 4.971 2.129 1.1465 -0.9980 1.3581 91DOPE HN311614 5.086 4.949 2.281 -0.3312 0.7415 0.1225 91DOPE C1211615 4.966 5.094 2.207 0.1652 0.0394 -0.1835 91DOPE H12A11616 4.885 5.082 2.282 1.0877 3.0592 1.4756 91DOPE H12B11617 4.907 5.106 2.114 -3.1261 -0.4043 1.6682 91DOPE C1111618 5.068 5.198 2.255 -0.0688 0.1132 0.1610 91DOPE H11A11619 5.018 5.294 2.278 -0.3690 -0.1454 0.5962 91DOPE H11B11620 5.132 5.219 2.167 0.4350 -1.2779 0.1684 91DOPE P11621 5.249 5.244 2.428 0.2003 -0.0655 0.3182 91DOPE O1311622 5.170 5.365 2.460 0.3301 0.1956 -0.3414 91DOPE O1411623 5.371 5.255 2.346 -0.0918 -0.2755 -0.1524 91DOPE O1111624 5.290 5.177 2.568 0.5145 -0.6014 -0.0286 91DOPE O1211625 5.148 5.141 2.358 -0.0073 0.2299 0.1781 91DOPE C111626 5.203 5.086 2.637 -0.1144 -0.4638 -0.6196 91DOPE HA11627 5.235 5.090 2.743 -2.2457 1.2877 0.0255 91DOPE HB11628 5.213 4.984 2.593 -0.3833 -1.4954 1.6054 91DOPE C211629 5.054 5.118 2.648 -0.0548 -0.3727 -0.0783 91DOPE HS11630 5.008 5.120 2.547 0.9449 0.2157 -0.5385 91DOPE O2111631 5.054 5.249 2.705 -0.3967 -0.4732 0.1632 91DOPE C2111632 4.941 5.317 2.682 0.0448 0.1056 -0.3387 91DOPE O2211633 4.842 5.281 2.621 -0.3968 -0.2146 0.5508 91DOPE C2211634 4.945 5.448 2.760 0.1265 -0.1243 0.0451 91DOPE H2R11635 4.909 5.528 2.692 -2.1527 -1.3289 -0.2710 91DOPE H2S11636 5.044 5.469 2.805 0.3962 -1.6811 0.2518 91DOPE C311637 4.985 5.030 2.754 -0.0496 -0.1022 0.1524 91DOPE HX11638 4.997 4.928 2.711 -2.3491 -0.2892 -0.1925 91DOPE HY11639 4.880 5.065 2.743 0.3548 1.2612 0.4025 91DOPE O3111640 5.030 5.047 2.889 -0.1367 0.0279 0.1657 91DOPE C3111641 5.058 4.930 2.946 0.1734 -0.2325 -0.5068 91DOPE O3211642 5.074 4.824 2.888 -0.4252 -0.2274 -0.6862 91DOPE C3211643 5.050 4.952 3.097 0.1553 0.0897 -0.5558 91DOPE H2X11644 5.082 5.057 3.119 -0.9408 0.6732 -1.5980 91DOPE H2Y11645 4.947 4.942 3.136 -0.2361 -0.6453 -1.7197 91DOPE C2311646 4.847 5.446 2.878 -0.2727 0.5394 -0.2718 91DOPE H3R11647 4.757 5.395 2.838 0.7968 -0.3464 -1.6129 91DOPE H3S11648 4.821 5.549 2.911 0.9424 1.2948 -1.5365 91DOPE C2411649 4.913 5.366 2.990 -0.4906 0.2629 -0.3389 91DOPE H4R11650 5.012 5.408 3.020 -0.6242 -1.0298 2.1819 91DOPE H4S11651 4.929 5.264 2.948 -0.4624 0.7622 -1.5943 91DOPE C2511652 4.833 5.357 3.119 -0.0333 0.5304 -0.0312 91DOPE H5R11653 4.733 5.309 3.109 0.7014 -1.3898 1.2561 91DOPE H5S11654 4.826 5.463 3.152 0.4280 -0.0858 2.2859 91DOPE C2611655 4.912 5.283 3.227 -0.0555 0.3973 -0.1051 91DOPE H6R11656 5.019 5.311 3.215 0.0009 1.2255 1.9053 91DOPE H6S11657 4.891 5.175 3.218 -3.7146 1.0477 -0.9868 91DOPE C2711658 4.868 5.319 3.369 0.6860 0.7310 0.0501 91DOPE H7R11659 4.877 5.426 3.395 1.8959 0.2523 1.8065 91DOPE H7S11660 4.935 5.270 3.443 -1.4972 -2.2846 0.2199 91DOPE C2811661 4.722 5.287 3.403 0.5983 0.3163 -0.6872 91DOPE H8R11662 4.695 5.193 3.350 -3.5545 -0.0433 1.6683 91DOPE H8S11663 4.657 5.363 3.355 0.4487 0.2434 -0.6024 91DOPE C2911664 4.695 5.285 3.551 0.0144 0.4427 -0.7903 91DOPE H9R11665 4.750 5.364 3.605 -0.4048 0.7920 -0.8697 91DOPE C21011666 4.614 5.208 3.625 0.1846 0.5901 -0.4479 91DOPE H10R11667 4.600 5.226 3.732 -0.3945 -0.0938 -0.3990 91DOPE C21111668 4.523 5.100 3.572 -0.2416 0.7677 -0.0800 91DOPE H11R11669 4.511 5.034 3.661 1.2627 0.4147 -0.1000 91DOPE H11S11670 4.551 5.053 3.476 -0.3753 2.3704 -0.9308 91DOPE C21211671 4.385 5.157 3.538 -0.4355 0.4337 0.1483 91DOPE H12R11672 4.394 5.237 3.461 0.3035 0.2782 0.0611 91DOPE H12S11673 4.339 5.205 3.627 -1.5214 -0.8117 0.2926 91DOPE C21311674 4.291 5.054 3.475 -0.1334 -0.1317 0.6022 91DOPE H13R11675 4.264 4.994 3.564 0.1996 -0.9148 0.1860 91DOPE H13S11676 4.350 5.003 3.396 -1.7031 -0.9716 -0.0831 91DOPE C21411677 4.164 5.114 3.414 -0.1755 -0.4930 0.3333 91DOPE H14R11678 4.099 5.028 3.385 -1.3515 -0.1609 1.8374 91DOPE H14S11679 4.204 5.165 3.324 0.1268 0.4370 0.9838 91DOPE C21511680 4.084 5.208 3.505 -0.2716 -0.1418 -0.1088 91DOPE H15R11681 3.998 5.253 3.450 -1.2443 0.7229 2.0344 91DOPE H15S11682 4.140 5.297 3.540 -0.9096 -0.1822 1.0571 91DOPE C21611683 4.026 5.129 3.623 -0.1633 -0.1037 -0.0297 91DOPE H16R11684 4.118 5.103 3.681 -0.4570 -1.0556 0.0301 91DOPE H16S11685 3.976 5.036 3.588 1.1973 0.3025 -3.4744 91DOPE C21711686 3.933 5.219 3.703 -0.1792 -0.0191 -0.1427 91DOPE H17R11687 3.896 5.161 3.790 0.3393 -0.5226 -0.2538 91DOPE H17S11688 3.845 5.245 3.640 0.6961 -0.6703 -1.6862 91DOPE C21811689 3.990 5.355 3.745 0.3946 -0.4047 0.3339 91DOPE H18R11690 3.923 5.405 3.819 0.6979 -0.1573 0.4438 91DOPE H18S11691 4.020 5.413 3.656 1.7518 1.6412 2.0405 91DOPE H18T11692 4.089 5.324 3.785 -0.0559 -1.5863 0.5961 91DOPE C3311693 5.132 4.852 3.179 0.1281 0.5821 0.0795 91DOPE H3X11694 5.235 4.866 3.140 -0.0490 -1.2491 -1.1667 91DOPE H3Y11695 5.107 4.747 3.155 0.2176 0.7198 -0.6425 91DOPE C3411696 5.130 4.891 3.327 -0.2190 -0.3271 0.3201 91DOPE H4X11697 5.213 4.836 3.376 1.1656 0.1641 -1.3357 91DOPE H4Y11698 5.151 5.000 3.326 0.2669 -0.3414 2.8350 91DOPE C3511699 4.997 4.870 3.399 -0.5605 -0.0284 -0.2199 91DOPE H5X11700 4.912 4.916 3.343 1.3412 1.2156 -2.2497 91DOPE H5Y11701 4.994 4.936 3.488 -3.1649 0.4433 -0.5632 91DOPE C3611702 4.954 4.730 3.443 0.2360 -0.1514 0.1776 91DOPE H6X11703 5.032 4.675 3.500 1.3829 -0.9277 -2.0313 91DOPE H6Y11704 4.922 4.667 3.357 -0.7996 -1.8173 1.7196 91DOPE C3711705 4.823 4.726 3.521 -0.1083 -0.1587 -0.3933 91DOPE H7X11706 4.740 4.780 3.469 -0.6570 0.7794 1.3613 91DOPE H7Y11707 4.797 4.618 3.524 -0.0247 -0.1784 -0.3835 91DOPE C3811708 4.827 4.779 3.665 -0.4048 0.0790 -0.4718 91DOPE H8X11709 4.918 4.733 3.708 0.9457 -0.2716 -3.4645 91DOPE H8Y11710 4.838 4.890 3.670 -3.1747 0.3882 0.5319 91DOPE C3911711 4.696 4.747 3.730 0.0214 -0.4477 0.1313 91DOPE H9X11712 4.612 4.701 3.674 -0.9717 -1.1231 2.0799 91DOPE C31011713 4.677 4.749 3.863 0.5129 -0.1638 0.1961 91DOPE H10X11714 4.586 4.705 3.906 1.7543 -1.1504 1.9492 91DOPE C31111715 4.777 4.787 3.968 0.3819 -0.4933 0.4394 91DOPE H11X11716 4.868 4.834 3.925 0.3456 -1.8355 -1.1841 91DOPE H11Y11717 4.799 4.697 4.030 -0.3599 0.3064 1.9446 91DOPE C31211718 4.717 4.885 4.070 0.1458 0.0767 -0.2343 91DOPE H12X11719 4.687 4.971 4.008 -1.5644 0.3896 0.9593 91DOPE H12Y11720 4.799 4.913 4.140 0.2137 -0.5105 -0.0719 91DOPE C31311721 4.599 4.837 4.155 0.3029 0.2562 0.0901 91DOPE H13X11722 4.627 4.737 4.196 -2.2942 0.3242 2.3334 91DOPE H13Y11723 4.509 4.819 4.092 -0.2910 2.8844 0.0823 91DOPE C31411724 4.567 4.935 4.267 0.4328 0.1521 0.2186 91DOPE H14X11725 4.652 4.929 4.338 1.6950 -0.2577 -1.2835 91DOPE H14Y11726 4.469 4.904 4.309 0.8244 -0.6459 0.5634 91DOPE C31511727 4.545 5.077 4.213 -0.2066 0.3443 0.9651 91DOPE H15X11728 4.634 5.129 4.172 0.9485 -2.4378 -0.3257 91DOPE H15Y11729 4.518 5.134 4.305 -1.4864 0.3204 0.6245 91DOPE C31611730 4.435 5.094 4.108 0.3709 -0.2522 0.2498 91DOPE H16X11731 4.337 5.056 4.144 -0.7304 0.9847 -1.3200 91DOPE H16Y11732 4.465 5.025 4.027 -0.5262 -1.4044 0.8636 91DOPE C31711733 4.429 5.235 4.048 0.0404 -0.4034 -0.0734 91DOPE H17X11734 4.525 5.269 4.005 -0.0438 -0.6846 -0.4860 91DOPE H17Y11735 4.400 5.308 4.127 -1.5212 -2.1936 1.1131 91DOPE C31811736 4.324 5.254 3.939 0.4673 -0.1358 -0.4399 91DOPE H18X11737 4.225 5.241 3.989 0.1169 -1.3871 -1.4091 91DOPE H18Y11738 4.335 5.358 3.902 1.0189 -0.0769 -0.1277 91DOPE H18Z11739 4.326 5.174 3.862 2.1715 -0.5377 -0.0115 92DOPE N11740 0.862 2.950 2.912 -0.1484 -0.3931 0.2209 92DOPE HN111741 0.827 3.047 2.930 -0.2025 -0.4171 0.2453 92DOPE HN211742 0.785 2.883 2.930 0.2328 -1.7550 -2.6940 92DOPE HN311743 0.946 2.935 2.971 2.3168 1.8813 -2.4140 92DOPE C1211744 0.900 2.930 2.768 -0.0172 -0.5765 0.2810 92DOPE H12A11745 0.937 2.825 2.762 0.9441 -0.2050 -0.7947 92DOPE H12B11746 0.995 2.987 2.754 0.3986 -0.2667 3.6378 92DOPE C1111747 0.779 2.961 2.680 0.3768 0.3920 0.0693 92DOPE H11A11748 0.703 2.882 2.662 -0.7346 1.3622 0.3862 92DOPE H11B11749 0.838 2.982 2.588 -0.8147 0.8741 -0.6072 92DOPE P11750 0.564 3.104 2.690 0.0890 -0.0426 0.0019 92DOPE O1311751 0.482 3.003 2.760 -0.0801 -0.0405 -0.1949 92DOPE O1411752 0.559 3.121 2.543 0.6773 0.2563 0.0096 92DOPE O1111753 0.538 3.244 2.763 0.4162 -0.3199 0.6609 92DOPE O1211754 0.718 3.081 2.728 -0.0423 -0.0126 0.5641 92DOPE C111755 0.619 3.353 2.718 -0.4667 0.0649 -0.0096 92DOPE HA11756 0.545 3.431 2.689 0.0504 0.0987 -1.2906 92DOPE HB11757 0.686 3.329 2.632 -0.2032 -0.2467 0.2822 92DOPE C211758 0.717 3.401 2.825 -0.2504 -0.2431 -0.0674 92DOPE HS11759 0.813 3.345 2.825 0.0161 0.1910 0.6913 92DOPE O2111760 0.657 3.389 2.954 0.5627 0.1702 0.3609 92DOPE C2111761 0.682 3.269 3.006 -0.2559 -0.2737 -0.2432 92DOPE O2211762 0.771 3.193 2.972 0.1153 -0.1068 0.3376 92DOPE C2211763 0.594 3.245 3.128 -0.0890 -0.1164 -0.0898 92DOPE H2R11764 0.485 3.241 3.105 -0.1991 1.8192 -0.0737 92DOPE H2S11765 0.608 3.333 3.194 -2.0112 -0.0804 0.3254 92DOPE C311766 0.763 3.545 2.793 0.3314 -0.4022 0.0260 92DOPE HX11767 0.676 3.615 2.792 1.1125 0.5724 -0.5927 92DOPE HY11768 0.815 3.559 2.697 -0.4983 1.2473 -0.2268 92DOPE O3111769 0.860 3.582 2.891 0.3314 -0.3964 0.0237 92DOPE C3111770 0.888 3.712 2.880 0.0314 -0.3365 -0.0327 92DOPE O3211771 0.831 3.788 2.804 -0.1092 0.0605 0.4651 92DOPE C3211772 1.006 3.753 2.967 -0.0480 -0.2364 0.0293 92DOPE H2X11773 1.016 3.683 3.053 2.6029 -1.7524 -1.3668 92DOPE H2Y11774 1.103 3.746 2.913 1.7391 0.1276 3.0151 92DOPE C2311775 0.632 3.109 3.187 0.7522 0.3209 0.3832 92DOPE H3R11776 0.742 3.094 3.194 0.8317 0.3874 -0.6247 92DOPE H3S11777 0.596 3.038 3.110 0.2391 0.9455 0.0351 92DOPE C2411778 0.571 3.071 3.322 -0.0484 -0.1755 -0.1166 92DOPE H4R11779 0.538 2.965 3.322 -0.8716 0.0159 -2.4546 92DOPE H4S11780 0.484 3.136 3.347 -0.1688 -0.2446 -0.3518 92DOPE C2511781 0.672 3.083 3.436 0.0567 -0.0586 -0.2224 92DOPE H5R11782 0.717 3.183 3.417 0.6547 -0.6025 -1.8161 92DOPE H5S11783 0.760 3.016 3.423 -0.5554 -0.4941 -2.7281 92DOPE C2611784 0.624 3.055 3.578 0.8975 0.1406 0.1079 92DOPE H6R11785 0.713 3.061 3.645 0.9773 0.0452 0.0102 92DOPE H6S11786 0.571 2.958 3.586 -0.2644 0.7435 -0.0871 92DOPE C2711787 0.515 3.151 3.626 -0.1078 -0.9212 0.0169 92DOPE H7R11788 0.422 3.148 3.566 -0.9724 -0.3272 1.2835 92DOPE H7S11789 0.552 3.255 3.607 1.6111 -1.8948 -2.5359 92DOPE C2811790 0.478 3.128 3.772 0.0789 -0.3298 0.1614 92DOPE H8R11791 0.441 3.024 3.780 2.6019 -1.5762 -2.6439 92DOPE H8S11792 0.405 3.208 3.798 0.4041 -0.4398 1.4804 92DOPE C2911793 0.603 3.145 3.854 0.1460 0.0495 -0.0166 92DOPE H9R11794 0.693 3.180 3.803 0.7417 -0.4486 0.6769 92DOPE C21011795 0.616 3.106 3.982 0.1601 0.1675 0.0175 92DOPE H10R11796 0.708 3.116 4.041 1.0943 -1.1912 -1.1447 92DOPE C21111797 0.507 3.044 4.064 0.4223 0.0957 0.3160 92DOPE H11R11798 0.415 3.025 4.003 1.5553 -0.2766 -1.3579 92DOPE H11S11799 0.478 3.134 4.123 -0.8579 0.8067 -1.2855 92DOPE C21211800 0.532 2.915 4.143 -0.3595 0.0206 0.4503 92DOPE H12R11801 0.573 2.837 4.075 0.3754 -1.9175 3.0067 92DOPE H12S11802 0.434 2.883 4.184 -0.4701 0.5762 0.6347 92DOPE C21311803 0.647 2.931 4.242 0.2236 -0.0648 -0.2027 92DOPE H13R11804 0.608 2.982 4.333 -0.8209 0.1195 -0.7369 92DOPE H13S11805 0.737 2.976 4.196 -0.5540 0.3980 -1.3174 92DOPE C21411806 0.706 2.798 4.288 -0.0967 -0.1464 -0.0257 92DOPE H14R11807 0.782 2.819 4.366 -0.6310 -0.9058 0.7223 92DOPE H14S11808 0.764 2.754 4.204 1.2421 1.1956 0.1707 92DOPE C21511809 0.604 2.696 4.341 -0.5017 -0.0155 -0.5386 92DOPE H15R11810 0.531 2.658 4.267 -2.4962 0.2719 1.1815 92DOPE H15S11811 0.541 2.740 4.422 -2.4570 -1.2700 -1.3214 92DOPE C21611812 0.676 2.570 4.388 -0.2671 0.4525 0.3927 92DOPE H16R11813 0.709 2.580 4.494 -1.2737 0.8292 0.6853 92DOPE H16S11814 0.760 2.553 4.317 -0.4004 1.2404 0.0356 92DOPE C21711815 0.587 2.445 4.388 0.3284 0.0196 -0.3995 92DOPE H17R11816 0.568 2.410 4.285 -0.0566 -0.7467 -0.0789 92DOPE H17S11817 0.487 2.472 4.427 0.2984 -0.0193 -0.4503 92DOPE C21811818 0.648 2.337 4.477 -0.3518 -0.1636 -0.1488 92DOPE H18R11819 0.583 2.247 4.483 0.1647 -0.5201 0.1784 92DOPE H18S11820 0.670 2.369 4.581 2.1305 -3.7926 0.6615 92DOPE H18T11821 0.745 2.294 4.442 0.0532 -0.7339 1.5719 92DOPE C3311822 0.992 3.903 2.995 0.0067 -0.1245 -0.5236 92DOPE H3X11823 0.884 3.926 3.011 0.0547 0.8903 -1.5001 92DOPE H3Y11824 1.014 3.950 2.897 1.1769 -0.6274 -0.5135 92DOPE C3411825 1.071 3.958 3.113 -0.3594 -0.2911 -0.1984 92DOPE H4X11826 1.041 3.919 3.213 -2.2939 0.7164 -0.3303 92DOPE H4Y11827 1.176 3.928 3.095 -0.5189 -1.1961 0.2988 92DOPE C3511828 1.068 4.111 3.121 -0.6126 -0.3021 -0.0755 92DOPE H5X11829 0.965 4.152 3.117 -0.1443 1.0911 1.0656 92DOPE H5Y11830 1.126 4.143 3.032 0.6154 -1.8290 0.1341 92DOPE C3611831 1.135 4.172 3.245 -0.0026 0.3270 -0.7042 92DOPE H6X11832 1.067 4.171 3.333 0.3472 -1.5770 -0.4096 92DOPE H6Y11833 1.227 4.114 3.268 -0.0831 0.3158 -0.4073 92DOPE C3711834 1.174 4.317 3.216 -0.0369 0.4559 -0.1127 92DOPE H7X11835 1.257 4.307 3.142 0.6208 -1.3791 0.7885 92DOPE H7Y11836 1.091 4.383 3.187 0.4593 0.5727 -1.3276 92DOPE C3811837 1.242 4.376 3.340 0.0792 -0.1514 0.1189 92DOPE H8X11838 1.174 4.353 3.425 -0.4240 0.9013 0.0196 92DOPE H8Y11839 1.342 4.327 3.346 0.7788 0.8870 -1.9426 92DOPE C3911840 1.273 4.523 3.330 -0.3171 -0.0681 0.0885 92DOPE H9X11841 1.313 4.546 3.231 -1.2256 -0.8671 -0.4839 92DOPE C31011842 1.264 4.617 3.425 -0.2379 0.3267 -0.2941 92DOPE H10X11843 1.290 4.721 3.401 0.2849 0.6203 1.4124 92DOPE C31111844 1.221 4.587 3.566 -0.4915 0.2891 -0.3788 92DOPE H11X11845 1.268 4.493 3.602 -0.6483 -0.1643 -1.3279 92DOPE H11Y11846 1.112 4.574 3.584 -0.0228 0.2487 3.1600 92DOPE C31211847 1.281 4.699 3.652 0.1691 -0.4830 0.1776 92DOPE H12X11848 1.243 4.794 3.610 1.9089 -1.0398 -2.9919 92DOPE H12Y11849 1.392 4.704 3.647 0.1289 3.0587 0.3292 92DOPE C31311850 1.239 4.693 3.799 0.5432 -0.7025 0.2777 92DOPE H13X11851 1.128 4.697 3.810 0.3540 1.0093 -1.6502 92DOPE H13Y11852 1.279 4.601 3.848 0.0804 -0.4925 1.0803 92DOPE C31411853 1.309 4.800 3.882 0.2109 -0.1763 -0.1130 92DOPE H14X11854 1.263 4.900 3.867 3.9861 1.8837 0.6579 92DOPE H14Y11855 1.417 4.809 3.859 0.4638 0.6419 1.2578 92DOPE C31511856 1.299 4.762 4.030 0.6653 0.3684 0.0610 92DOPE H15X11857 1.200 4.715 4.045 -1.1901 3.5688 -1.1395 92DOPE H15Y11858 1.378 4.685 4.045 0.1279 -0.7339 -2.3064 92DOPE C31611859 1.328 4.874 4.131 -0.4095 0.4244 0.3171 92DOPE H16X11860 1.436 4.895 4.115 -0.0939 -0.3146 1.4083 92DOPE H16Y11861 1.270 4.966 4.107 2.2197 2.5139 1.4196 92DOPE C31711862 1.307 4.817 4.271 -0.3171 -0.1979 0.0818 92DOPE H17X11863 1.202 4.784 4.282 -0.8825 1.1772 -1.0040 92DOPE H17Y11864 1.367 4.724 4.287 -0.1050 -0.3011 -1.2595 92DOPE C31811865 1.352 4.910 4.384 0.3730 0.3550 -0.6369 92DOPE H18X11866 1.274 4.988 4.402 -0.4855 -1.1853 3.3056 92DOPE H18Y11867 1.363 4.865 4.485 -0.7419 1.6716 0.1104 92DOPE H18Z11868 1.449 4.960 4.366 0.2971 0.7956 0.1227 93DOPE N11869 0.642 2.423 2.557 0.0296 0.4242 -0.3573 93DOPE HN111870 0.591 2.344 2.600 -0.9029 0.5221 -1.2523 93DOPE HN211871 0.679 2.486 2.631 0.9039 0.4443 -0.7990 93DOPE HN311872 0.574 2.478 2.501 1.0652 1.4960 -0.6183 93DOPE C1211873 0.754 2.373 2.469 -0.4969 -0.4481 -0.5345 93DOPE H12A11874 0.706 2.401 2.373 0.2793 0.4944 -0.6627 93DOPE H12B11875 0.757 2.262 2.482 -0.4310 -0.4760 -0.7771 93DOPE C1111876 0.884 2.451 2.490 -0.7134 -0.3335 0.4126 93DOPE H11A11877 0.871 2.561 2.483 2.1547 0.0530 0.2247 93DOPE H11B11878 0.954 2.424 2.408 -0.8821 1.6065 -0.4137 93DOPE P11879 1.064 2.332 2.624 -0.1228 -0.0367 0.2100 93DOPE O1311880 1.179 2.398 2.558 -0.3546 0.7952 0.6259 93DOPE O1411881 1.021 2.199 2.576 0.1611 -0.1600 0.2907 93DOPE O1111882 1.094 2.332 2.781 -0.6250 -0.3023 0.3062 93DOPE O1211883 0.936 2.428 2.621 -0.0310 0.0873 0.2192 93DOPE C111884 0.986 2.293 2.866 -0.3754 -0.6935 0.4495 93DOPE HA11885 1.026 2.245 2.958 2.2848 1.0994 0.3424 93DOPE HB11886 0.920 2.216 2.821 0.2792 -1.3054 0.5207 93DOPE C211887 0.914 2.414 2.930 0.2034 -0.1068 -0.0002 93DOPE HS11888 0.883 2.486 2.852 0.9300 0.5495 0.3024 93DOPE O2111889 1.012 2.486 3.005 -0.0863 0.0562 0.2225 93DOPE C2111890 0.972 2.609 3.036 -0.1344 0.0506 0.1819 93DOPE O2211891 0.876 2.662 2.983 -0.6569 -0.8508 0.2059 93DOPE C2211892 1.053 2.666 3.152 0.2414 -0.0368 -0.0384 93DOPE H2R11893 1.143 2.715 3.108 -0.3008 0.6496 -0.4003 93DOPE H2S11894 1.074 2.583 3.223 0.9667 0.1633 -0.0050 93DOPE C311895 0.792 2.358 3.005 0.1310 -0.4232 -0.3468 93DOPE HX11896 0.728 2.304 2.933 0.7386 -1.9943 0.2480 93DOPE HY11897 0.726 2.440 3.040 -3.7594 -2.9981 -1.1108 93DOPE O3111898 0.820 2.269 3.114 0.2592 0.1373 0.0847 93DOPE C3111899 0.837 2.329 3.232 -0.4290 -0.0276 0.2677 93DOPE O3211900 0.837 2.450 3.244 0.1979 -0.0328 0.3399 93DOPE C3211901 0.871 2.232 3.345 -0.2200 -0.1329 0.1153 93DOPE H2X11902 0.920 2.139 3.310 -0.1208 -0.5662 1.3589 93DOPE H2Y11903 0.935 2.276 3.424 0.7692 0.1493 -0.8129 93DOPE C2311904 0.972 2.769 3.230 -0.1660 -0.5072 0.1665 93DOPE H3R11905 0.869 2.730 3.246 0.7986 -3.5576 -0.4011 93DOPE H3S11906 0.964 2.862 3.169 -0.6680 0.1093 1.1341 93DOPE C2411907 1.035 2.789 3.368 0.0119 -0.1923 0.0424 93DOPE H4R11908 1.042 2.693 3.425 -0.5471 0.2027 0.7960 93DOPE H4S11909 0.981 2.861 3.432 3.2043 1.9727 0.5527 93DOPE C2511910 1.181 2.835 3.366 0.0619 -0.3566 -0.2488 93DOPE H5R11911 1.192 2.929 3.307 -0.2462 -0.1678 -0.0137 93DOPE H5S11912 1.247 2.758 3.322 -0.3765 -1.9311 1.7405 93DOPE C2611913 1.241 2.865 3.503 -0.3175 -0.0092 -0.1559 93DOPE H6R11914 1.251 2.765 3.551 1.2214 0.1480 -0.1018 93DOPE H6S11915 1.160 2.921 3.555 -1.4853 -1.0555 -0.8085 93DOPE C2711916 1.377 2.935 3.494 -0.2901 -0.0824 -0.3117 93DOPE H7R11917 1.355 3.024 3.431 0.0964 0.6006 0.4947 93DOPE H7S11918 1.451 2.860 3.459 0.6337 0.5305 0.2507 93DOPE C2811919 1.428 2.969 3.635 -0.7114 -0.6956 -0.0053 93DOPE H8R11920 1.344 3.011 3.694 -0.1587 1.9577 -0.9727 93DOPE H8S11921 1.507 3.047 3.630 0.2679 -1.6413 0.1995 93DOPE C2911922 1.481 2.844 3.700 0.8679 -0.1016 -0.1038 93DOPE H9R11923 1.463 2.752 3.643 2.4720 0.1135 -1.0057 93DOPE C21011924 1.504 2.845 3.832 -0.2430 -0.3718 0.0999 93DOPE H10R11925 1.556 2.759 3.876 -2.7568 -1.1755 1.7096 93DOPE C21111926 1.512 2.960 3.928 -0.2655 -0.4089 0.1462 93DOPE H11R11927 1.420 2.953 3.990 0.5607 -1.5059 1.3068 93DOPE H11S11928 1.512 3.059 3.877 -1.7731 0.3100 1.4853 93DOPE C21211929 1.636 2.942 4.016 0.2630 -0.1991 -0.5439 93DOPE H12R11930 1.731 2.962 3.962 0.3240 1.5027 0.1382 93DOPE H12S11931 1.645 2.834 4.043 1.4145 -0.4282 -1.7348 93DOPE C21311932 1.626 3.021 4.147 0.0855 -0.3501 -0.4650 93DOPE H13R11933 1.531 3.004 4.202 1.2417 0.6893 1.9813 93DOPE H13S11934 1.627 3.130 4.125 2.1399 -0.1065 0.5579 93DOPE C21411935 1.746 3.013 4.241 -0.1212 0.0904 -0.1634 93DOPE H14R11936 1.835 3.041 4.180 1.7092 0.8009 2.6258 93DOPE H14S11937 1.751 2.906 4.270 -1.1132 0.3370 0.9972 93DOPE C21511938 1.745 3.100 4.367 -0.0497 0.5783 -0.4982 93DOPE H15R11939 1.657 3.079 4.431 0.4183 1.5748 0.5315 93DOPE H15S11940 1.731 3.204 4.328 0.0327 1.1991 1.0536 93DOPE C21611941 1.878 3.090 4.443 -0.1214 -0.1319 -0.4650 93DOPE H16R11942 1.887 3.180 4.508 -1.8625 0.2588 -0.7130 93DOPE H16S11943 1.963 3.096 4.373 0.9773 -1.1632 0.7300 93DOPE C21711944 1.905 2.968 4.532 -0.1879 0.0807 -0.1503 93DOPE H17R11945 1.879 2.874 4.479 -0.6884 1.6914 -2.9415 93DOPE H17S11946 1.846 2.974 4.626 0.6561 1.3295 0.3346 93DOPE C21811947 2.049 2.963 4.583 0.0487 0.0193 -0.8182 93DOPE H18R11948 2.120 2.953 4.498 0.5807 -0.8705 -0.2804 93DOPE H18S11949 2.068 2.874 4.647 0.4320 0.1550 -0.7411 93DOPE H18T11950 2.082 3.055 4.637 1.4967 -0.2654 -1.1593 93DOPE C3311951 0.737 2.191 3.406 -0.2755 -0.5250 -0.2639 93DOPE H3X11952 0.678 2.134 3.332 -1.8781 0.6212 0.0684 93DOPE H3Y11953 0.685 2.286 3.430 0.4168 0.3166 -1.9527 93DOPE C3411954 0.757 2.110 3.535 0.2468 -0.0287 -0.0308 93DOPE H4X11955 0.836 2.032 3.527 1.6308 1.4632 -2.0050 93DOPE H4Y11956 0.787 2.184 3.613 -0.7705 0.4990 -0.1249 93DOPE C3511957 0.633 2.046 3.596 0.1987 0.0831 -0.0100 93DOPE H5X11958 0.601 1.964 3.528 1.0538 -0.5662 0.3507 93DOPE H5Y11959 0.549 2.119 3.601 -1.7659 -1.8920 -1.5282 93DOPE C3611960 0.663 1.977 3.729 -0.2354 -0.1460 -0.0266 93DOPE H6X11961 0.691 2.055 3.803 2.6810 -0.2257 -0.8927 93DOPE H6Y11962 0.753 1.913 3.719 -0.8920 -1.2827 1.0744 93DOPE C3711963 0.545 1.893 3.778 -0.1726 -0.0087 0.3637 93DOPE H7X11964 0.513 1.821 3.700 2.1212 -0.2946 -0.4005 93DOPE H7Y11965 0.577 1.838 3.869 -0.5229 -2.5623 -0.9542 93DOPE C3811966 0.432 1.985 3.824 -0.0692 0.3638 -0.1119 93DOPE H8X11967 0.465 2.064 3.895 0.1018 0.1620 0.0362 93DOPE H8Y11968 0.389 2.034 3.734 -1.2128 2.0486 1.2791 93DOPE C3911969 0.340 1.891 3.897 0.2835 -0.2364 -0.4339 93DOPE H9X11970 0.394 1.838 3.976 1.4411 0.9503 -0.3962 93DOPE C31011971 0.224 1.834 3.860 0.1878 -0.3217 -0.0112 93DOPE H10X11972 0.173 1.765 3.928 1.3959 0.6212 1.9392 93DOPE C31111973 0.135 1.875 3.745 0.1946 0.0866 0.1284 93DOPE H11X11974 0.034 1.904 3.781 1.2248 3.8271 0.4476 93DOPE H11Y11975 0.190 1.964 3.708 1.1059 -0.6662 -0.3783 93DOPE C31211976 0.125 1.774 3.631 -0.1496 0.2573 0.0073 93DOPE H12X11977 0.228 1.736 3.611 -0.2622 0.5537 -1.1864 93DOPE H12Y11978 0.057 1.690 3.656 -0.3829 1.0586 2.2467 93DOPE C31311979 0.088 1.840 3.498 -0.2020 -0.6657 -0.4454 93DOPE H13X11980 -0.009 1.813 3.450 -1.0774 1.9920 -0.3335 93DOPE H13Y11981 0.083 1.949 3.517 -0.1231 -0.4237 -1.7395 93DOPE C31411982 0.198 1.822 3.393 -0.1051 0.1556 -0.4955 93DOPE H14X11983 0.172 1.870 3.296 -1.7693 1.6336 0.6262 93DOPE H14Y11984 0.219 1.714 3.376 1.3472 0.1010 1.3368 93DOPE C31511985 0.332 1.881 3.435 0.0116 -0.2080 -0.3533 93DOPE H15X11986 0.319 1.972 3.497 0.0025 -0.8874 0.6564 93DOPE H15Y11987 0.390 1.807 3.494 -1.4876 -2.2080 -1.2625 93DOPE C31611988 0.417 1.917 3.313 -0.3320 0.6414 -0.3458 93DOPE H16X11989 0.349 1.979 3.251 -1.2539 2.1268 1.9983 93DOPE H16Y11990 0.501 1.979 3.351 -0.6857 -0.2601 2.0709 93DOPE C31711991 0.459 1.798 3.226 -0.3657 -0.2867 0.8811 93DOPE H17X11992 0.496 1.832 3.127 -0.0010 -0.3183 1.0065 93DOPE H17Y11993 0.369 1.737 3.203 0.1913 -0.9362 0.3830 93DOPE C31811994 0.573 1.720 3.290 0.1722 -0.3518 -0.1368 93DOPE H18X11995 0.619 1.645 3.223 1.8024 0.0755 0.4443 93DOPE H18Y11996 0.661 1.784 3.314 -0.0674 0.8846 -2.3236 93DOPE H18Z11997 0.536 1.653 3.371 -2.3276 -1.1086 -1.8132 94DOPE N11998 2.528 5.621 2.225 -0.1586 -0.5260 0.2151 94DOPE HN111999 2.473 5.536 2.250 1.5510 -1.3780 1.3112 94DOPE HN212000 2.611 5.589 2.170 0.9956 2.0718 0.3512 94DOPE HN312001 2.570 5.663 2.309 -1.6855 -0.9331 1.2143 94DOPE C1212002 2.450 5.713 2.134 0.1180 -0.4818 0.0213 94DOPE H12A12003 2.392 5.651 2.063 -1.3526 -0.4363 1.1297 94DOPE H12B12004 2.527 5.774 2.081 1.0122 -0.4193 1.3446 94DOPE C1112005 2.361 5.804 2.219 0.0136 -0.1392 -0.4545 94DOPE H11A12006 2.316 5.880 2.151 0.7458 -0.8276 -1.7515 94DOPE H11B12007 2.418 5.859 2.297 -0.2060 0.0948 -0.4557 94DOPE P12008 2.148 5.797 2.358 -0.2623 0.0040 -0.0106 94DOPE O1312009 2.073 5.697 2.439 0.0002 -0.5022 -0.3904 94DOPE O1412010 2.072 5.895 2.278 -0.2951 0.2516 0.3201 94DOPE O1112011 2.236 5.878 2.464 -0.2935 -0.5251 0.4284 94DOPE O1212012 2.264 5.720 2.280 -0.0950 0.2811 -0.0378 94DOPE C112013 2.170 5.932 2.578 -0.1745 0.1663 0.1758 94DOPE HA12014 2.066 5.962 2.553 0.1040 0.1906 -1.0163 94DOPE HB12015 2.227 6.025 2.599 1.2318 -0.4344 -0.8108 94DOPE C212016 2.169 5.833 2.696 -0.1365 -0.0672 -0.0197 94DOPE HS12017 2.086 5.760 2.685 1.2678 -2.2483 2.7401 94DOPE O2112018 2.149 5.908 2.816 -0.2970 0.0275 -0.1050 94DOPE C2112019 2.020 5.926 2.846 -0.3065 -0.9415 0.4581 94DOPE O2212020 1.922 5.888 2.784 -0.5308 0.1937 0.0928 94DOPE C2212021 2.011 5.985 2.986 -0.5821 -0.1787 0.1235 94DOPE H2R12022 1.914 5.950 3.027 -0.3659 0.0155 0.8104 94DOPE H2S12023 1.994 6.095 2.980 -0.1508 -0.1112 0.1232 94DOPE C312024 2.293 5.743 2.703 0.2721 0.4909 0.0066 94DOPE HX12025 2.373 5.798 2.649 0.4762 -0.8138 -1.0827 94DOPE HY12026 2.282 5.648 2.646 -0.9054 -0.1824 1.3090 94DOPE O3112027 2.329 5.710 2.837 0.0160 0.1846 0.0021 94DOPE C3112028 2.250 5.626 2.904 -0.0575 0.1884 -0.0792 94DOPE O3212029 2.142 5.595 2.858 -0.0527 -0.0001 0.0351 94DOPE C3212030 2.314 5.578 3.034 -0.0001 -0.4383 -0.3358 94DOPE H2X12031 2.408 5.521 3.020 -0.3407 -1.2036 0.4208 94DOPE H2Y12032 2.348 5.667 3.090 0.5491 -1.1453 0.4776 94DOPE C2312033 2.123 5.940 3.079 -0.8730 -0.4282 0.3549 94DOPE H3R12034 2.224 5.979 3.053 -1.9506 1.2083 -1.6560 94DOPE H3S12035 2.133 5.829 3.071 0.4525 -0.3346 0.5331 94DOPE C2412036 2.110 5.985 3.225 -0.1859 0.0007 0.2885 94DOPE H4R12037 2.102 6.095 3.235 2.6248 0.2384 0.6770 94DOPE H4S12038 2.199 5.954 3.284 -1.7358 -0.7146 2.3748 94DOPE C2512039 1.985 5.923 3.288 -0.2089 -0.5142 -0.2537 94DOPE H5R12040 1.973 5.814 3.267 -1.9696 -0.4242 0.1381 94DOPE H5S12041 1.890 5.964 3.248 0.4322 2.1425 0.7308 94DOPE C2612042 1.996 5.936 3.440 0.1504 -0.6037 -0.2706 94DOPE H6R12043 2.011 6.044 3.463 0.1171 -0.0688 -2.5046 94DOPE H6S12044 2.093 5.889 3.467 1.0665 1.1754 -0.3332 94DOPE C2712045 1.876 5.884 3.519 0.0139 -0.1963 -0.2071 94DOPE H7R12046 1.848 5.780 3.490 -0.1584 -0.2587 0.1801 94DOPE H7S12047 1.785 5.945 3.496 -1.2678 -2.2438 -0.8605 94DOPE C2812048 1.900 5.890 3.670 0.3772 0.7119 -0.2929 94DOPE H8R12049 1.960 5.978 3.699 0.0656 -0.0733 3.0853 94DOPE H8S12050 1.953 5.802 3.711 -0.7581 1.3712 2.8245 94DOPE C2912051 1.775 5.869 3.751 0.5496 0.0899 -0.1843 94DOPE H9R12052 1.709 5.784 3.729 -1.7793 1.2424 1.8789 94DOPE C21012053 1.745 5.939 3.862 -0.2523 0.6101 -0.7268 94DOPE H10R12054 1.650 5.924 3.915 1.0657 0.5110 1.7441 94DOPE C21112055 1.812 6.060 3.920 -0.2298 0.0999 0.3418 94DOPE H11R12056 1.774 6.151 3.869 -2.0610 -0.7759 0.0348 94DOPE H11S12057 1.922 6.050 3.910 0.0459 2.2901 0.6549 94DOPE C21212058 1.782 6.078 4.069 -0.2239 0.5545 0.2883 94DOPE H12R12059 1.846 6.155 4.119 0.7141 -0.5405 0.8281 94DOPE H12S12060 1.824 5.985 4.114 0.1849 -0.2404 -1.6259 94DOPE C21312061 1.641 6.114 4.116 -0.3710 0.1558 0.1538 94DOPE H13R12062 1.583 6.023 4.089 0.8273 -0.7835 0.5851 94DOPE H13S12063 1.605 6.206 4.067 -2.7972 -0.3935 0.7836 94DOPE C21412064 1.612 6.110 4.266 -0.5170 0.2045 0.1267 94DOPE H14R12065 1.679 6.180 4.320 -0.4041 0.5185 -0.4225 94DOPE H14S12066 1.619 6.005 4.304 -1.0081 0.5087 1.1077 94DOPE C21512067 1.466 6.140 4.301 -0.7229 -0.3447 -0.2526 94DOPE H15R12068 1.443 6.090 4.397 2.3052 -0.2834 0.6081 94DOPE H15S12069 1.399 6.098 4.222 -0.1776 -0.4406 -0.6701 94DOPE C21612070 1.423 6.286 4.317 -0.0619 -0.2073 0.3131 94DOPE H16R12071 1.461 6.353 4.236 -0.9269 -1.3789 -1.1219 94DOPE H16S12072 1.465 6.320 4.414 0.3595 -0.8260 0.3537 94DOPE C21712073 1.271 6.300 4.313 -0.0297 0.0753 -0.0114 94DOPE H17R12074 1.230 6.233 4.235 -0.8619 -1.1088 1.3862 94DOPE H17S12075 1.252 6.404 4.280 1.8732 -0.5373 -3.5069 94DOPE C21812076 1.199 6.272 4.445 -0.2670 -0.4585 -0.2518 94DOPE H18R12077 1.221 6.169 4.483 2.3011 -0.4037 -1.3681 94DOPE H18S12078 1.092 6.290 4.425 -0.5114 -0.0799 1.2653 94DOPE H18T12079 1.220 6.350 4.521 -1.4853 0.0318 -0.4096 94DOPE C3312080 2.216 5.501 3.123 0.1966 -0.3154 -0.0111 94DOPE H3X12081 2.198 5.406 3.068 -0.1882 -0.5084 0.4360 94DOPE H3Y12082 2.120 5.557 3.130 0.4911 0.1507 0.3296 94DOPE C3412083 2.272 5.473 3.262 -0.0627 0.1921 0.1978 94DOPE H4X12084 2.375 5.433 3.255 -0.3171 -0.2395 -1.3430 94DOPE H4Y12085 2.284 5.569 3.317 2.9598 -0.2540 0.4548 94DOPE C3512086 2.171 5.392 3.343 -0.4406 0.1801 -0.2834 94DOPE H5X12087 2.156 5.296 3.289 1.0887 0.3382 -1.0404 94DOPE H5Y12088 2.073 5.445 3.344 -1.8323 -2.2073 -1.0179 94DOPE C3612089 2.211 5.348 3.484 -0.6278 -0.1354 -0.3279 94DOPE H6X12090 2.147 5.260 3.508 0.5873 -0.9803 -0.1178 94DOPE H6Y12091 2.314 5.307 3.479 0.4296 2.3256 0.3247 94DOPE C3712092 2.204 5.453 3.595 -0.0901 -0.6762 0.2237 94DOPE H7X12093 2.280 5.533 3.589 -1.2287 0.3731 -1.0263 94DOPE H7Y12094 2.108 5.509 3.594 -0.5476 -1.4436 -0.1265 94DOPE C3812095 2.220 5.386 3.732 -0.1696 -0.2250 0.4553 94DOPE H8X12096 2.184 5.450 3.815 -0.9379 -1.7418 1.3541 94DOPE H8Y12097 2.148 5.302 3.742 0.2763 -0.7069 -0.2338 94DOPE C3912098 2.363 5.340 3.737 0.0301 0.3085 -0.2597 94DOPE H9X12099 2.398 5.287 3.647 0.3793 -0.2799 0.2177 94DOPE C31012100 2.455 5.364 3.831 0.4841 0.0229 -0.6269 94DOPE H10X12101 2.553 5.317 3.815 -0.3809 -1.3093 -2.2910 94DOPE C31112102 2.437 5.456 3.948 -0.6130 -0.1766 -0.6240 94DOPE H11X12103 2.533 5.496 3.988 -0.3527 -0.5950 -0.8262 94DOPE H11Y12104 2.385 5.546 3.909 -0.6120 -0.4940 -1.3669 94DOPE C31212105 2.368 5.373 4.056 -0.1140 0.2191 0.0085 94DOPE H12X12106 2.427 5.279 4.061 0.8468 0.8224 0.2185 94DOPE H12Y12107 2.266 5.355 4.015 0.4844 0.6957 -1.7559 94DOPE C31312108 2.369 5.437 4.195 0.5303 0.3144 -0.0394 94DOPE H13X12109 2.339 5.358 4.267 -0.6601 0.3660 -0.4624 94DOPE H13Y12110 2.475 5.464 4.215 1.1004 -1.5324 -0.3610 94DOPE C31412111 2.265 5.548 4.208 0.3765 0.1463 0.1738 94DOPE H14X12112 2.165 5.503 4.188 0.7438 -0.5047 -0.2262 94DOPE H14Y12113 2.269 5.634 4.138 -0.8776 -0.0776 -0.2167 94DOPE C31512114 2.273 5.609 4.348 -0.0079 -0.2362 0.3658 94DOPE H15X12115 2.378 5.646 4.355 -0.1940 0.6076 -0.8910 94DOPE H15Y12116 2.267 5.524 4.420 0.4564 0.5949 1.3984 94DOPE C31612117 2.177 5.725 4.373 0.2432 -0.0121 0.2948 94DOPE H16X12118 2.193 5.813 4.307 -2.8621 -0.4828 -1.2704 94DOPE H16Y12119 2.172 5.760 4.478 -1.9828 0.8625 -0.0490 94DOPE C31712120 2.029 5.691 4.361 0.1836 0.2743 0.2108 94DOPE H17X12121 2.004 5.652 4.462 0.3728 -0.0287 0.1412 94DOPE H17Y12122 2.017 5.606 4.291 0.0647 0.7513 -0.3548 94DOPE C31812123 1.940 5.811 4.328 -0.1671 0.0075 0.1790 94DOPE H18X12124 1.937 5.836 4.220 -3.1286 1.1234 0.4213 94DOPE H18Y12125 1.836 5.796 4.366 -0.8671 -0.4483 -1.7924 94DOPE H18Z12126 1.970 5.900 4.388 -0.2291 0.1731 -0.0345 95DOPE N12127 5.984 4.229 2.326 0.0957 0.0680 0.5623 95DOPE HN112128 5.917 4.298 2.289 0.5465 -0.6656 -1.7639 95DOPE HN212129 6.071 4.240 2.270 -1.2007 -0.5957 -1.6781 95DOPE HN312130 5.940 4.136 2.313 -1.5552 0.5079 2.4389 95DOPE C1212131 6.011 4.248 2.474 0.6091 -0.1486 0.4997 95DOPE H12A12132 5.917 4.257 2.532 1.3342 0.0898 1.6722 95DOPE H12B12133 6.072 4.341 2.483 0.2061 0.1784 -0.0293 95DOPE C1112134 6.079 4.124 2.531 -0.1981 -0.7415 0.1954 95DOPE H11A12135 6.002 4.046 2.549 -0.3547 -0.4200 0.9581 95DOPE H11B12136 6.116 4.151 2.632 -0.4399 -0.9306 0.3368 95DOPE P12137 6.233 3.940 2.478 -0.0748 0.0204 0.1531 95DOPE O1312138 6.357 3.905 2.406 -0.3172 -0.5614 0.0120 95DOPE O1412139 6.120 3.846 2.461 0.2093 -0.2664 -0.1468 95DOPE O1112140 6.270 3.946 2.634 0.1294 0.4620 0.0886 95DOPE O1212141 6.189 4.090 2.445 -0.2621 -0.0999 -0.1462 95DOPE C112142 6.316 3.831 2.705 -0.3304 0.3101 0.1445 95DOPE HA12143 6.420 3.836 2.742 0.0382 -1.6486 -0.5529 95DOPE HB12144 6.303 3.733 2.655 2.5674 0.3136 -0.7607 95DOPE C212145 6.227 3.819 2.830 0.0671 0.3419 0.4305 95DOPE HS12146 6.124 3.817 2.790 -0.2778 1.2618 1.2408 95DOPE O2112147 6.255 3.929 2.918 0.7568 -0.0505 0.7163 95DOPE C2112148 6.155 3.946 3.004 0.2437 0.0640 0.1069 95DOPE O2212149 6.050 3.883 3.004 0.2480 0.0519 -0.3059 95DOPE C2212150 6.193 4.057 3.101 0.0999 0.1712 0.0428 95DOPE H2R12151 6.212 4.148 3.042 0.7281 -0.2059 -0.3478 95DOPE H2S12152 6.287 4.028 3.153 -0.3604 -0.7278 0.4070 95DOPE C312153 6.260 3.687 2.902 0.2696 -0.3451 -0.9044 95DOPE HX12154 6.226 3.606 2.833 -1.0575 -0.3245 -0.3199 95DOPE HY12155 6.200 3.665 2.993 0.1843 -0.1380 -0.9100 95DOPE O3112156 6.399 3.668 2.930 0.1887 -0.0079 -0.2599 95DOPE C3112157 6.443 3.717 3.046 -0.1338 -0.1438 -0.0781 95DOPE O3212158 6.373 3.759 3.137 0.1545 -0.2125 0.1772 95DOPE C3212159 6.595 3.710 3.043 -0.1486 -0.3627 -0.3426 95DOPE H2X12160 6.628 3.805 2.997 -2.0264 0.9011 0.8137 95DOPE H2Y12161 6.632 3.616 2.995 1.2118 -0.4675 0.8549 95DOPE C2312162 6.076 4.069 3.199 -0.3256 -0.1768 -0.4217 95DOPE H3R12163 5.973 4.062 3.157 -0.4483 0.7562 -0.3028 95DOPE H3S12164 6.072 4.170 3.245 -2.2053 -0.0478 -0.7905 95DOPE C2412165 6.082 3.972 3.317 0.2421 0.6474 0.2351 95DOPE H4R12166 6.075 3.866 3.286 1.3371 1.0153 -1.4424 95DOPE H4S12167 5.991 3.999 3.375 -0.3784 -0.1640 -0.3328 95DOPE C2512168 6.202 3.995 3.410 0.5191 -0.2082 0.0982 95DOPE H5R12169 6.209 4.105 3.424 -0.3351 -0.0144 -0.8917 95DOPE H5S12170 6.292 3.965 3.352 1.5705 2.0587 0.4539 95DOPE C2612171 6.190 3.919 3.542 0.1506 0.0909 0.2386 95DOPE H6R12172 6.173 3.812 3.518 -0.3183 -0.0156 1.0000 95DOPE H6S12173 6.097 3.956 3.590 -0.6834 -1.5921 0.0051 95DOPE C2712174 6.317 3.924 3.626 -0.2599 -0.3173 0.8951 95DOPE H7R12175 6.409 3.891 3.572 1.5526 -0.3370 3.7568 95DOPE H7S12176 6.292 3.851 3.706 0.1240 -1.7009 -0.1912 95DOPE C2812177 6.349 4.064 3.678 -0.7282 0.1949 -0.1504 95DOPE H8R12178 6.357 4.135 3.593 -0.8352 -2.2262 -2.3048 95DOPE H8S12179 6.449 4.059 3.727 -0.5638 0.5576 -0.4440 95DOPE C2912180 6.250 4.099 3.785 -0.1214 0.3471 0.3707 95DOPE H9R12181 6.153 4.132 3.745 -0.5538 1.2828 2.0608 95DOPE C21012182 6.269 4.102 3.918 -0.3486 0.4320 0.4024 95DOPE H10R12183 6.188 4.143 3.981 2.5226 2.1568 3.2769 95DOPE C21112184 6.395 4.064 3.990 -0.3301 -0.1023 0.0939 95DOPE H11R12185 6.445 3.977 3.942 -0.5576 -0.4050 0.3999 95DOPE H11S12186 6.356 4.024 4.086 -0.6940 1.9975 0.8866 95DOPE C21212187 6.496 4.173 4.028 -0.5629 -0.1348 0.8098 95DOPE H12R12188 6.446 4.255 4.085 0.9265 -0.6543 3.0073 95DOPE H12S12189 6.548 4.202 3.935 -2.2021 -0.4411 -0.2582 95DOPE C21312190 6.601 4.120 4.126 -0.0808 0.1335 0.4419 95DOPE H13R12191 6.660 4.044 4.072 0.2318 0.1321 0.7831 95DOPE H13S12192 6.550 4.085 4.219 -1.4959 1.8460 0.3699 95DOPE C21412193 6.698 4.234 4.157 -0.3531 0.4696 0.0784 95DOPE H14R12194 6.657 4.293 4.242 -3.1226 -1.7297 0.3984 95DOPE H14S12195 6.704 4.299 4.067 -0.1219 1.1389 0.5724 95DOPE C21512196 6.839 4.188 4.196 -0.4414 0.5798 0.5352 95DOPE H15R12197 6.893 4.282 4.219 0.3447 0.2231 0.1870 95DOPE H15S12198 6.892 4.152 4.106 -1.7256 0.2114 -0.1028 95DOPE C21612199 6.851 4.072 4.295 0.4888 -0.1066 -0.3654 95DOPE H16R12200 6.846 3.976 4.239 -2.6434 -0.7432 0.8002 95DOPE H16S12201 6.765 4.071 4.365 1.1536 -1.6454 0.4847 95DOPE C21712202 6.978 4.081 4.380 0.3676 -0.3178 -0.1604 95DOPE H17R12203 6.991 4.180 4.428 2.2768 -0.2835 -0.6435 95DOPE H17S12204 7.058 4.066 4.304 0.3054 -0.6523 -0.1631 95DOPE C21812205 6.992 3.976 4.490 -0.2517 -0.0569 0.1763 95DOPE H18R12206 6.921 3.987 4.574 -2.4972 1.5176 -1.7869 95DOPE H18S12207 7.095 3.971 4.531 0.0322 -1.3011 -0.6222 95DOPE H18T12208 6.967 3.874 4.452 -1.3750 -0.3225 1.5626 95DOPE C3312209 6.643 3.698 3.187 -0.4037 0.2289 -0.2071 95DOPE H3X12210 6.602 3.605 3.231 0.7498 0.4066 1.3429 95DOPE H3Y12211 6.609 3.776 3.259 1.5956 0.9830 -0.0047 95DOPE C3412212 6.795 3.683 3.203 -0.4791 -0.4864 -0.1437 95DOPE H4X12213 6.852 3.768 3.161 -0.0742 -1.3264 -1.3490 95DOPE H4Y12214 6.818 3.587 3.153 -1.7985 -0.4686 -0.8378 95DOPE C3512215 6.830 3.667 3.351 -0.3205 0.0869 -0.1162 95DOPE H5X12216 6.783 3.571 3.384 -0.3607 0.1432 -0.0097 95DOPE H5Y12217 6.798 3.753 3.413 2.3607 -0.3194 2.0317 95DOPE C3612218 6.981 3.663 3.373 -0.3978 -0.2163 0.3963 95DOPE H6X12219 7.041 3.574 3.343 0.9217 0.3764 1.1751 95DOPE H6Y12220 7.014 3.752 3.314 -2.2115 0.7595 0.7931 95DOPE C3712221 7.008 3.699 3.519 -0.0823 -0.7304 0.4692 95DOPE H7X12222 6.971 3.804 3.524 0.6610 -0.4881 1.0404 95DOPE H7Y12223 6.935 3.639 3.578 0.0657 -2.5134 -1.0914 95DOPE C3812224 7.156 3.686 3.555 0.1393 -0.1991 -0.2256 95DOPE H8X12225 7.181 3.578 3.551 0.1069 -0.2266 0.2943 95DOPE H8Y12226 7.171 3.709 3.663 2.0101 -1.9244 -0.0498 95DOPE C3912227 7.249 3.763 3.465 -0.0040 0.2161 -0.0224 95DOPE H9X12228 7.234 3.738 3.359 0.6649 -1.5949 0.2710 95DOPE C31012229 7.343 3.853 3.494 0.0818 0.2512 -0.3999 95DOPE H10X12230 7.418 3.883 3.420 1.6341 -1.2742 0.4702 95DOPE C31112231 7.379 3.901 3.632 -0.2745 0.3143 -0.3290 95DOPE H11X12232 7.489 3.897 3.648 -0.1169 0.6966 -1.2437 95DOPE H11Y12233 7.343 3.830 3.710 1.2519 -0.1107 0.0284 95DOPE C31212234 7.330 4.043 3.660 0.0051 0.3602 -0.0742 95DOPE H12X12235 7.388 4.117 3.600 -0.0817 -0.1205 -0.7629 95DOPE H12Y12236 7.222 4.055 3.639 -0.6314 -1.7597 1.6186 95DOPE C31312237 7.347 4.079 3.808 -0.1386 -0.4425 0.1405 95DOPE H13X12238 7.296 3.993 3.855 0.7186 -1.3711 -0.5739 95DOPE H13Y12239 7.456 4.079 3.830 -0.2710 1.6417 1.0590 95DOPE C31412240 7.277 4.212 3.839 0.2254 -0.2085 -0.0347 95DOPE H14X12241 7.170 4.189 3.854 0.2186 0.6313 1.4141 95DOPE H14Y12242 7.282 4.279 3.751 -0.4229 -1.6745 -1.2173 95DOPE C31512243 7.325 4.274 3.971 -0.2533 -0.2171 0.1461 95DOPE H15X12244 7.337 4.190 4.042 -0.4332 -0.4499 -0.0974 95DOPE H15Y12245 7.428 4.310 3.948 0.0795 0.1363 2.0839 95DOPE C31612246 7.223 4.375 4.024 -0.2016 -0.0351 -0.0964 95DOPE H16X12247 7.129 4.317 4.035 -0.1031 0.0088 1.1905 95DOPE H16Y12248 7.213 4.458 3.951 -2.4967 -0.0673 0.1275 95DOPE C31712249 7.262 4.439 4.157 0.6956 -0.2119 -0.2659 95DOPE H17X12250 7.361 4.489 4.146 -0.0431 1.1464 -1.0320 95DOPE H17Y12251 7.178 4.507 4.182 -1.4957 -2.9788 0.3440 95DOPE C31812252 7.276 4.350 4.280 0.2259 -0.0172 -0.0701 95DOPE H18X12253 7.351 4.268 4.273 -1.6123 -1.8381 0.4350 95DOPE H18Y12254 7.182 4.301 4.315 0.9110 0.0940 2.1168 95DOPE H18Z12255 7.317 4.412 4.362 0.6845 0.1875 -0.4535 96DOPE N12256 0.846 2.025 2.673 0.3689 0.3959 -0.5213 96DOPE HN112257 0.915 1.952 2.701 0.5193 -0.4034 -2.7439 96DOPE HN212258 0.901 2.112 2.661 -1.1805 1.5321 0.2545 96DOPE HN312259 0.777 2.041 2.749 0.6961 -3.2924 0.7696 96DOPE C1212260 0.759 1.989 2.555 0.2640 -0.2427 -0.2562 96DOPE H12A12261 0.810 2.042 2.471 1.0382 -0.0584 0.3142 96DOPE H12B12262 0.659 2.032 2.576 -1.0791 -3.1016 -0.3257 96DOPE C1112263 0.748 1.837 2.545 -0.8701 -0.1617 -0.3294 96DOPE H11A12264 0.846 1.819 2.496 -0.0392 -0.1415 1.2873 96DOPE H11B12265 0.663 1.825 2.475 -0.4242 0.6205 -1.0297 96DOPE P12266 0.689 1.626 2.673 0.4044 0.0713 -0.1925 96DOPE O1312267 0.788 1.528 2.624 0.2049 -0.0865 -0.2785 96DOPE O1412268 0.556 1.626 2.608 0.0366 0.4120 0.5390 96DOPE O1112269 0.667 1.590 2.827 -0.0418 0.2321 -0.2164 96DOPE O1212270 0.745 1.776 2.674 -0.4692 0.4045 -0.0503 96DOPE C112271 0.755 1.660 2.916 -0.0627 0.2670 -0.2233 96DOPE HA12272 0.712 1.656 3.019 -0.7212 -0.6398 -0.5225 96DOPE HB12273 0.778 1.767 2.896 1.4889 0.0615 0.3571 96DOPE C212274 0.883 1.577 2.938 0.0243 0.5005 0.1651 96DOPE HS12275 0.926 1.556 2.838 -0.7685 -0.5927 0.0276 96DOPE O2112276 0.848 1.456 3.006 -0.2015 0.1877 -0.4915 96DOPE C2112277 0.944 1.365 2.985 -0.5086 -0.2071 -0.1956 96DOPE O2212278 1.054 1.390 2.939 -0.4043 0.5114 0.4194 96DOPE C2212279 0.901 1.232 3.045 0.0332 -0.1569 0.3170 96DOPE H2R12280 0.910 1.152 2.968 1.2613 0.3801 -0.1342 96DOPE H2S12281 0.794 1.243 3.075 -0.5831 0.6821 -1.9573 96DOPE C312282 0.983 1.666 3.014 0.3958 0.0413 0.2157 96DOPE HX12283 0.989 1.759 2.954 -0.3988 -0.2336 -0.3051 96DOPE HY12284 1.083 1.620 3.001 -0.0495 -0.2218 -3.2124 96DOPE O3112285 0.944 1.683 3.150 -0.4501 0.8047 -0.1117 96DOPE C3112286 1.005 1.786 3.210 0.2307 0.3188 0.0425 96DOPE O3212287 1.084 1.867 3.163 0.4353 0.2595 0.2819 96DOPE C3212288 0.972 1.782 3.359 -0.2201 -0.4241 -0.0732 96DOPE H2X12289 0.878 1.835 3.385 0.7801 1.2144 0.3279 96DOPE H2Y12290 0.979 1.678 3.399 0.0821 -0.7321 -0.8962 96DOPE C2312291 0.980 1.216 3.175 -0.0972 0.3017 0.4534 96DOPE H3R12292 0.919 1.152 3.242 -0.2166 1.0787 1.1018 96DOPE H3S12293 0.998 1.315 3.222 -1.1627 0.8742 -0.3015 96DOPE C2412294 1.107 1.140 3.138 -0.5349 -0.3045 0.1803 96DOPE H4R12295 1.152 1.186 3.048 0.1301 -1.0452 0.1160 96DOPE H4S12296 1.080 1.033 3.126 1.4352 -0.9312 0.7992 96DOPE C2512297 1.218 1.150 3.243 -0.0336 -0.9392 -0.2742 96DOPE H5R12298 1.179 1.116 3.341 -0.7058 -1.4746 -0.7199 96DOPE H5S12299 1.257 1.254 3.255 -2.1678 0.0457 -1.3400 96DOPE C2612300 1.329 1.054 3.201 0.2653 -0.5329 -0.4258 96DOPE H6R12301 1.370 1.085 3.103 -1.2263 0.0138 -0.8964 96DOPE H6S12302 1.280 0.958 3.174 -0.5161 -0.2311 -0.1087 96DOPE C2712303 1.446 1.039 3.299 0.1068 -0.5634 -0.2395 96DOPE H7R12304 1.496 1.135 3.325 -1.2032 -0.4319 2.0532 96DOPE H7S12305 1.514 0.964 3.254 -0.9281 -0.4433 -2.1415 96DOPE C2812306 1.394 0.980 3.429 -0.0193 -0.1488 -0.0984 96DOPE H8R12307 1.309 0.911 3.410 1.8889 -2.8701 0.6306 96DOPE H8S12308 1.341 1.057 3.489 0.3712 -0.0405 0.1128 96DOPE C2912309 1.507 0.906 3.495 0.3165 -0.0125 -0.5183 96DOPE H9R12310 1.567 0.839 3.433 2.0634 -0.0713 1.1337 96DOPE C21012311 1.547 0.930 3.621 -0.9384 -0.1116 -0.0792 96DOPE H10R12312 1.633 0.870 3.656 0.6362 1.2693 -1.4078 96DOPE C21112313 1.500 1.028 3.724 -0.1648 0.0519 0.1290 96DOPE H11R12314 1.407 1.082 3.696 -0.4432 -0.9130 -0.8716 96DOPE H11S12315 1.581 1.103 3.735 -1.4180 1.4904 -0.1359 96DOPE C21212316 1.465 0.959 3.856 0.1316 -0.1662 0.0948 96DOPE H12R12317 1.549 0.889 3.878 -0.9779 -2.0848 -1.5067 96DOPE H12S12318 1.373 0.897 3.854 -0.9145 1.1881 2.1643 96DOPE C21312319 1.455 1.044 3.983 -0.2226 -0.1273 0.0410 96DOPE H13R12320 1.551 1.100 3.990 -1.0742 1.9556 -2.9791 96DOPE H13S12321 1.453 0.963 4.059 0.7588 -0.8382 -0.6675 96DOPE C21412322 1.334 1.136 4.002 -0.1233 0.0634 -0.2441 96DOPE H14R12323 1.245 1.073 3.982 0.0346 -0.8953 1.7899 96DOPE H14S12324 1.327 1.214 3.924 0.6676 0.4314 0.0444 96DOPE C21512325 1.334 1.185 4.147 0.2397 0.0553 -0.2407 96DOPE H15R12326 1.419 1.257 4.153 2.9039 -2.6688 -2.1745 96DOPE H15S12327 1.336 1.109 4.227 -1.7905 0.6540 0.4389 96DOPE C21612328 1.201 1.254 4.180 0.4392 0.3477 -0.0421 96DOPE H16R12329 1.116 1.184 4.164 1.8763 -1.4991 0.0152 96DOPE H16S12330 1.192 1.340 4.111 1.7785 -0.2560 -1.0205 96DOPE C21712331 1.200 1.303 4.325 -0.4651 0.3220 -0.0320 96DOPE H17R12332 1.285 1.374 4.342 0.2832 -0.3207 -0.9510 96DOPE H17S12333 1.229 1.220 4.393 2.0574 -0.1343 -1.5312 96DOPE C21812334 1.076 1.382 4.367 -0.2316 0.2983 0.7253 96DOPE H18R12335 1.103 1.438 4.459 -0.1101 0.6485 0.4805 96DOPE H18S12336 0.988 1.318 4.387 0.5770 -0.4658 1.9191 96DOPE H18T12337 1.047 1.454 4.287 -0.9893 -2.0747 -1.2760 96DOPE C3312338 1.082 1.867 3.423 -0.3377 -0.1704 -0.2066 96DOPE H3X12339 1.103 1.967 3.380 -2.5423 0.1255 -0.7511 96DOPE H3Y12340 1.173 1.803 3.428 -0.0383 0.3317 1.0206 96DOPE C3412341 1.069 1.886 3.574 -0.3018 -0.3519 -0.1798 96DOPE H4X12342 0.962 1.866 3.596 -0.2534 0.0909 0.4687 96DOPE H4Y12343 1.119 1.806 3.632 0.3968 0.0278 -0.2515 96DOPE C3512344 1.118 2.026 3.614 -0.2083 -0.3822 -0.1878 96DOPE H5X12345 1.066 2.100 3.549 -1.1754 -1.5903 -0.8360 96DOPE H5Y12346 1.223 2.035 3.581 0.4470 0.3124 1.9406 96DOPE C3612347 1.083 2.059 3.759 0.5059 0.1095 -0.1276 96DOPE H6X12348 1.078 2.170 3.767 -1.3881 0.3220 -3.1308 96DOPE H6Y12349 0.990 2.011 3.795 0.5495 0.4735 0.5056 96DOPE C3712350 1.189 2.030 3.867 0.1413 0.1161 0.2354 96DOPE H7X12351 1.139 2.043 3.965 2.3404 0.2231 1.4034 96DOPE H7Y12352 1.222 1.927 3.843 -0.4963 -0.4885 1.8202 96DOPE C3812353 1.322 2.105 3.857 0.1128 0.1278 -0.0880 96DOPE H8X12354 1.344 2.123 3.750 -1.2934 1.7975 -0.1405 96DOPE H8Y12355 1.305 2.204 3.905 1.2958 0.0122 0.5922 96DOPE C3912356 1.432 2.026 3.920 0.1078 -0.0225 -0.2670 96DOPE H9X12357 1.430 1.917 3.906 2.5530 0.0796 -2.0226 96DOPE C31012358 1.536 2.074 3.990 0.2204 -0.0348 -0.4264 96DOPE H10X12359 1.610 2.006 4.037 1.5761 1.1327 -0.7974 96DOPE C31112360 1.559 2.218 4.026 0.9369 -0.4380 0.7950 96DOPE H11X12361 1.479 2.282 3.985 0.6633 -0.0355 1.9489 96DOPE H11Y12362 1.545 2.239 4.134 -1.0416 1.2296 0.2734 96DOPE C31212363 1.685 2.288 3.975 0.4911 -0.2369 -0.0453 96DOPE H12X12364 1.779 2.229 3.982 0.7889 0.3490 1.0432 96DOPE H12Y12365 1.693 2.386 4.026 -2.7389 1.1391 -1.8446 96DOPE C31312366 1.675 2.320 3.825 -0.0513 0.2542 0.0939 96DOPE H13X12367 1.668 2.219 3.778 -1.3944 0.6660 -0.6301 96DOPE H13Y12368 1.580 2.377 3.813 -0.0322 0.0554 -1.0960 96DOPE C31412369 1.794 2.395 3.767 -0.3441 0.3826 -0.3448 96DOPE H14X12370 1.889 2.342 3.791 1.1201 3.8406 2.3873 96DOPE H14Y12371 1.793 2.497 3.810 1.5345 1.0935 -1.8366 96DOPE C31512372 1.780 2.405 3.615 -0.3220 0.1022 -0.3653 96DOPE H15X12373 1.844 2.483 3.568 -0.3045 0.1863 -0.2002 96DOPE H15Y12374 1.675 2.438 3.600 0.4471 1.8523 -2.5595 96DOPE C31612375 1.803 2.271 3.543 -0.1546 -0.1416 0.1374 96DOPE H16X12376 1.713 2.209 3.566 -0.8696 1.0961 0.8318 96DOPE H16Y12377 1.888 2.219 3.593 -1.2863 -1.3448 0.8877 96DOPE C31712378 1.821 2.270 3.391 -0.4506 -0.0939 0.1013 96DOPE H17X12379 1.909 2.335 3.371 -0.1034 -0.2523 1.0629 96DOPE H17Y12380 1.727 2.295 3.338 -0.9521 0.0127 1.0108 96DOPE C31812381 1.861 2.131 3.342 -0.4739 -0.4011 0.9292 96DOPE H18X12382 1.844 2.122 3.232 -0.3825 -3.1342 1.0838 96DOPE H18Y12383 1.800 2.048 3.384 -0.2534 -0.3285 1.3952 96DOPE H18Z12384 1.969 2.111 3.356 -0.1607 0.0032 -0.7247 97DOPE N12385 5.471 1.538 2.123 -0.1660 0.1604 0.1815 97DOPE HN112386 5.552 1.548 2.187 -0.4724 2.3744 0.2805 97DOPE HN212387 5.504 1.575 2.032 -0.1299 -0.6744 -0.1603 97DOPE HN312388 5.401 1.600 2.168 -0.3186 0.8364 -0.9485 97DOPE C1212389 5.443 1.392 2.095 -0.0939 0.2040 -0.1206 97DOPE H12A12390 5.384 1.400 2.001 -1.0147 3.2725 0.6132 97DOPE H12B12391 5.379 1.354 2.178 0.3977 0.3896 0.3474 97DOPE C1112392 5.561 1.297 2.075 -0.2137 0.0766 -0.2236 97DOPE H11A12393 5.611 1.332 1.982 -1.0718 1.2710 -0.2616 97DOPE H11B12394 5.525 1.194 2.052 -0.9218 0.0690 0.8626 97DOPE P12395 5.769 1.197 2.178 -0.2779 0.1911 0.2800 97DOPE O1312396 5.848 1.234 2.059 0.6914 -1.0042 0.5352 97DOPE O1412397 5.703 1.065 2.174 -0.0943 0.1221 -0.5211 97DOPE O1112398 5.859 1.198 2.311 0.1494 0.0525 -0.0079 97DOPE O1212399 5.649 1.302 2.188 -0.4483 0.0256 -0.0368 97DOPE C112400 5.789 1.223 2.433 0.2295 0.3175 -0.0130 97DOPE HA12401 5.724 1.137 2.462 0.9311 0.1988 1.2595 97DOPE HB12402 5.731 1.317 2.420 0.1037 0.0633 -1.5769 97DOPE C212403 5.888 1.254 2.546 0.4681 0.6238 -0.3026 97DOPE HS12404 5.930 1.355 2.528 1.1254 0.7065 1.5184 97DOPE O2112405 5.998 1.162 2.546 0.0405 0.1001 0.2059 97DOPE C2112406 5.973 1.035 2.579 -0.2615 0.0513 -0.1938 97DOPE O2212407 5.866 0.979 2.566 -0.4547 0.3575 0.0723 97DOPE C2212408 6.098 0.971 2.639 -0.1071 0.3558 -0.1803 97DOPE H2R12409 6.188 1.024 2.603 0.5332 -0.5658 0.0470 97DOPE H2S12410 6.116 0.867 2.605 -1.6527 -0.0029 0.0227 97DOPE C312411 5.826 1.257 2.687 0.0122 -0.4988 -0.4621 97DOPE HX12412 5.772 1.163 2.708 -0.7720 -0.6995 -3.0708 97DOPE HY12413 5.755 1.341 2.697 0.1003 -0.5565 0.8987 97DOPE O3112414 5.921 1.265 2.795 -0.7045 0.3683 0.1178 97DOPE C3112415 5.978 1.382 2.821 -0.2116 0.1301 0.1070 97DOPE O3212416 5.946 1.491 2.776 -0.3843 -0.1095 -0.3479 97DOPE C3212417 6.093 1.366 2.920 -0.0025 -0.4202 -0.2203 97DOPE H2X12418 6.108 1.262 2.956 0.4421 -0.1493 0.3985 97DOPE H2Y12419 6.189 1.413 2.889 -0.9393 0.8212 -1.3333 97DOPE C2312420 6.094 0.962 2.792 0.3397 -0.2397 -0.2041 97DOPE H3R12421 6.005 0.903 2.823 0.7359 -0.5058 0.4468 97DOPE H3S12422 6.086 1.065 2.831 2.6046 -0.0312 -0.1289 97DOPE C2412423 6.221 0.907 2.859 0.1821 -0.0501 0.2461 97DOPE H4R12424 6.308 0.956 2.810 0.1665 -1.1054 -0.8696 97DOPE H4S12425 6.225 0.798 2.841 -0.0620 -0.0418 0.1350 97DOPE C2512426 6.227 0.935 3.010 -0.0363 -0.7319 0.3850 97DOPE H5R12427 6.151 0.879 3.068 1.6098 -2.3270 1.0965 97DOPE H5S12428 6.199 1.042 3.020 -1.3920 -0.9769 -0.5144 97DOPE C2612429 6.367 0.918 3.068 0.1413 -0.5878 0.0063 97DOPE H6R12430 6.435 0.985 3.011 2.3029 -0.2343 2.7399 97DOPE H6S12431 6.396 0.813 3.048 -1.6151 -1.1090 0.0353 97DOPE C2712432 6.373 0.962 3.215 0.1725 -0.1538 -0.1225 97DOPE H7R12433 6.337 1.067 3.220 -0.3205 -0.2236 -1.6139 97DOPE H7S12434 6.475 0.959 3.259 -0.3566 -2.3583 1.1110 97DOPE C2812435 6.281 0.888 3.313 0.0371 0.0122 -0.1236 97DOPE H8R12436 6.325 0.789 3.338 -0.4965 -0.1947 0.0032 97DOPE H8S12437 6.177 0.887 3.274 -0.6410 -0.5409 1.6119 97DOPE C2912438 6.285 0.972 3.437 -0.2698 0.3369 -0.3344 97DOPE H9R12439 6.374 1.032 3.461 -0.3428 0.0025 0.8588 97DOPE C21012440 6.186 0.980 3.528 -0.3256 0.7095 -0.4263 97DOPE H10R12441 6.191 1.060 3.604 -0.6292 0.0804 0.2626 97DOPE C21112442 6.061 0.898 3.516 0.1660 -0.0681 -0.2777 97DOPE H11R12443 6.081 0.794 3.482 1.9758 -0.1350 0.8252 97DOPE H11S12444 6.000 0.952 3.441 0.8567 0.7912 -0.2339 97DOPE C21212445 6.000 0.895 3.656 0.3050 -0.5273 -0.2254 97DOPE H12R12446 5.933 0.983 3.667 -0.3042 -1.1267 1.0806 97DOPE H12S12447 6.083 0.906 3.730 -0.3206 1.1571 0.2693 97DOPE C21312448 5.914 0.776 3.701 0.6259 -0.6141 0.1732 97DOPE H13R12449 5.974 0.683 3.688 2.0606 0.3329 -0.2187 97DOPE H13S12450 5.818 0.774 3.644 -0.5028 0.3519 1.9536 97DOPE C21412451 5.879 0.775 3.849 -0.0178 -0.4276 0.0249 97DOPE H14R12452 5.819 0.867 3.868 -0.6426 -0.4831 -1.5851 97DOPE H14S12453 5.960 0.769 3.925 -0.5552 -2.0246 0.5175 97DOPE C21512454 5.792 0.653 3.879 -0.1476 -0.3839 -0.1775 97DOPE H15R12455 5.849 0.558 3.887 -1.9186 -1.3493 2.4138 97DOPE H15S12456 5.734 0.638 3.785 0.4238 -1.3337 -0.3908 97DOPE C21612457 5.696 0.678 3.995 0.2629 -0.2009 0.1207 97DOPE H16R12458 5.655 0.781 3.986 -2.9646 -1.3161 0.8541 97DOPE H16S12459 5.754 0.660 4.088 -1.1700 -0.0943 1.0671 97DOPE C21712460 5.579 0.580 3.993 0.2840 -0.2200 -0.1251 97DOPE H17R12461 5.519 0.588 3.900 -0.8364 -1.4274 0.4485 97DOPE H17S12462 5.500 0.600 4.069 1.4224 -0.3793 1.1439 97DOPE C21812463 5.624 0.435 4.011 0.5485 -0.1335 -0.0942 97DOPE H18R12464 5.701 0.402 3.938 -1.0900 -0.6268 -1.6519 97DOPE H18S12465 5.540 0.364 4.005 -0.2266 0.8762 -2.2570 97DOPE H18T12466 5.660 0.436 4.117 0.2646 -0.7609 0.0089 97DOPE C3312467 6.044 1.434 3.048 0.4618 -0.1427 -0.1833 97DOPE H3X12468 5.935 1.413 3.054 0.4315 0.2647 0.7686 97DOPE H3Y12469 6.048 1.544 3.034 -1.2666 0.0177 0.3614 97DOPE C3412470 6.117 1.386 3.173 -0.1196 -0.4247 0.0536 97DOPE H4X12471 6.067 1.290 3.199 -1.1755 -0.2109 -1.0761 97DOPE H4Y12472 6.226 1.371 3.162 0.0007 1.0025 -0.9740 97DOPE C3512473 6.108 1.485 3.289 0.0775 -0.3004 -0.0377 97DOPE H5X12474 6.001 1.511 3.287 0.7213 2.7036 -1.7819 97DOPE H5Y12475 6.155 1.583 3.264 -2.1134 1.1841 1.3467 97DOPE C3612476 6.150 1.439 3.429 -0.1711 -0.4307 -0.0066 97DOPE H6X12477 6.073 1.363 3.453 0.1730 -1.3951 -1.7328 97DOPE H6Y12478 6.126 1.518 3.502 -2.0348 -0.2606 -0.7528 97DOPE C3712479 6.292 1.383 3.442 0.2892 0.8238 0.4883 97DOPE H7X12480 6.293 1.295 3.374 2.1494 -2.7420 4.5671 97DOPE H7Y12481 6.374 1.451 3.412 1.2200 -0.8256 -0.9271 97DOPE C3812482 6.314 1.332 3.585 0.1284 0.0809 0.2507 97DOPE H8X12483 6.257 1.397 3.654 1.9346 3.3948 -1.1773 97DOPE H8Y12484 6.278 1.227 3.580 0.8211 -0.2628 1.9556 97DOPE C3912485 6.455 1.341 3.634 0.2884 0.1309 -0.2186 97DOPE H9X12486 6.521 1.274 3.576 0.4186 0.7923 -0.8445 97DOPE C31012487 6.491 1.407 3.745 -0.2257 -0.0077 0.0303 97DOPE H10X12488 6.598 1.415 3.768 -0.2674 0.2435 0.1389 97DOPE C31112489 6.413 1.499 3.834 0.3972 0.6403 -0.0869 97DOPE H11X12490 6.477 1.580 3.876 0.9473 -0.6169 1.6048 97DOPE H11Y12491 6.331 1.545 3.774 -1.8856 0.3864 2.6477 97DOPE C31212492 6.369 1.430 3.963 -0.0599 0.1370 -0.5020 97DOPE H12X12493 6.458 1.371 3.994 -0.9530 -0.2848 1.4241 97DOPE H12Y12494 6.286 1.360 3.942 0.2951 0.4047 -2.9979 97DOPE C31312495 6.338 1.536 4.070 -0.0182 0.1439 -0.4964 97DOPE H13X12496 6.412 1.619 4.068 -1.0903 1.1598 0.5350 97DOPE H13Y12497 6.244 1.588 4.042 -1.0650 0.3247 2.9048 97DOPE C31412498 6.333 1.477 4.211 0.5308 0.3666 -0.3815 97DOPE H14X12499 6.259 1.395 4.221 -0.2910 1.1615 0.2358 97DOPE H14Y12500 6.434 1.440 4.239 0.8122 1.8148 0.6406 97DOPE C31512501 6.283 1.576 4.316 0.1136 -0.1142 -0.1207 97DOPE H15X12502 6.286 1.676 4.266 -0.2886 -0.5547 -1.0427 97DOPE H15Y12503 6.179 1.557 4.350 -0.2882 0.0627 -1.2234 97DOPE C31612504 6.370 1.588 4.441 -0.1197 0.0607 0.0280 97DOPE H16X12505 6.390 1.482 4.468 0.9759 -0.2119 -1.6587 97DOPE H16Y12506 6.472 1.624 4.415 -0.6458 1.1246 -0.6563 97DOPE C31712507 6.314 1.674 4.555 0.0104 0.1989 -0.0122 97DOPE H17X12508 6.394 1.684 4.631 -0.9706 -0.8370 1.1934 97DOPE H17Y12509 6.291 1.776 4.516 1.8647 0.3528 -0.8516 97DOPE C31812510 6.196 1.623 4.637 0.3645 0.0103 0.3839 97DOPE H18X12511 6.121 1.588 4.563 -0.7922 -0.4827 1.7563 97DOPE H18Y12512 6.236 1.540 4.699 1.9677 0.6316 0.2368 97DOPE H18Z12513 6.147 1.693 4.707 2.0970 2.8046 -0.9892 98DOPE N12514 3.763 0.170 2.305 -0.0576 -0.0965 0.0083 98DOPE HN112515 3.676 0.212 2.266 -1.0087 -0.0814 2.0468 98DOPE HN212516 3.851 0.210 2.267 1.3705 -1.8666 1.2839 98DOPE HN312517 3.766 0.068 2.284 1.4780 -0.0196 -0.2535 98DOPE C1212518 3.747 0.202 2.451 0.0461 -0.2885 0.0611 98DOPE H12A12519 3.846 0.190 2.501 -0.7236 0.1345 1.7852 98DOPE H12B12520 3.684 0.122 2.496 0.5927 -0.7243 0.0670 98DOPE C1112521 3.685 0.338 2.479 0.1744 -0.2704 0.2638 98DOPE H11A12522 3.752 0.422 2.450 -1.3423 0.2048 -2.1701 98DOPE H11B12523 3.672 0.352 2.589 1.2454 1.7877 0.1818 98DOPE P12524 3.442 0.433 2.487 0.2200 0.0926 -0.1481 98DOPE O1312525 3.307 0.422 2.426 0.5113 0.0005 -0.7794 98DOPE O1412526 3.486 0.568 2.528 -0.1352 0.1815 -0.0509 98DOPE O1112527 3.428 0.347 2.620 0.0793 -0.1381 -0.3119 98DOPE O1212528 3.559 0.354 2.413 0.5513 0.6682 -0.2456 98DOPE C112529 3.326 0.247 2.635 0.0829 -0.0338 0.4811 98DOPE HA12530 3.368 0.166 2.699 0.3399 -0.6177 -0.4089 98DOPE HB12531 3.294 0.193 2.543 0.6269 0.1710 0.1658 98DOPE C212532 3.207 0.298 2.718 -0.2198 0.1014 -0.0269 98DOPE HS12533 3.163 0.383 2.662 -0.4168 -0.1022 -0.1833 98DOPE O2112534 3.238 0.349 2.848 0.4584 0.2616 -0.2493 98DOPE C2112535 3.274 0.264 2.945 -0.0242 0.1446 -0.1708 98DOPE O2212536 3.267 0.143 2.947 0.3097 0.1213 -0.2676 98DOPE C2212537 3.300 0.353 3.066 -0.1906 -0.1473 0.0810 98DOPE H2R12538 3.211 0.412 3.098 0.7892 0.3142 2.1226 98DOPE H2S12539 3.378 0.422 3.027 -0.5257 -1.2440 -2.7801 98DOPE C312540 3.090 0.198 2.721 -0.3813 0.2839 -0.3085 98DOPE HX12541 3.135 0.097 2.731 -0.0558 0.2827 -1.5654 98DOPE HY12542 3.046 0.200 2.619 1.1824 -1.0899 -1.0523 98DOPE O3112543 2.993 0.228 2.821 0.1374 0.0577 0.2633 98DOPE C3112544 2.923 0.341 2.809 0.3196 0.1687 0.2433 98DOPE O3212545 2.919 0.405 2.705 -0.0058 0.3149 0.3448 98DOPE C3212546 2.867 0.388 2.942 0.1763 -0.6224 0.4632 98DOPE H2X12547 2.767 0.347 2.966 -0.3378 1.6704 2.6553 98DOPE H2Y12548 2.949 0.355 3.010 1.7842 -0.8561 -1.4846 98DOPE C2312549 3.355 0.267 3.179 -0.3149 0.1086 0.3369 98DOPE H3R12550 3.453 0.230 3.143 -0.5018 1.3339 -1.5341 98DOPE H3S12551 3.292 0.179 3.204 -0.7576 -0.2070 -1.7230 98DOPE C2412552 3.379 0.348 3.307 0.1895 0.6721 -0.1060 98DOPE H4R12553 3.417 0.282 3.388 -0.0718 1.3426 0.5749 98DOPE H4S12554 3.275 0.380 3.330 -0.0675 -1.2426 1.7707 98DOPE C2512555 3.483 0.459 3.295 0.6432 0.2313 -0.2960 98DOPE H5R12556 3.455 0.533 3.217 0.9924 -0.1174 -0.7574 98DOPE H5S12557 3.579 0.413 3.265 0.8256 -0.2857 1.0165 98DOPE C2612558 3.490 0.537 3.427 -0.2300 0.4781 -0.3879 98DOPE H6R12559 3.529 0.473 3.509 -1.1383 -2.1969 -1.9258 98DOPE H6S12560 3.388 0.570 3.455 0.0297 -0.5006 1.9364 98DOPE C2712561 3.567 0.669 3.419 0.0238 0.3511 -0.0699 98DOPE H7R12562 3.543 0.730 3.329 -2.3239 0.4716 0.5774 98DOPE H7S12563 3.673 0.639 3.405 -0.3436 -0.6340 -0.9398 98DOPE C2812564 3.553 0.762 3.539 0.4937 0.0419 0.2279 98DOPE H8R12565 3.558 0.704 3.633 0.8386 -0.1408 0.1010 98DOPE H8S12566 3.454 0.812 3.538 -0.4895 -1.8104 0.1527 98DOPE C2912567 3.653 0.873 3.521 0.7492 -0.1479 0.4738 98DOPE H9R12568 3.657 0.920 3.422 1.2818 1.5216 1.2427 98DOPE C21012569 3.733 0.925 3.615 0.9096 0.1294 0.1820 98DOPE H10R12570 3.801 1.004 3.577 0.1464 1.1478 0.8784 98DOPE C21112571 3.741 0.897 3.762 -1.0387 -0.0701 0.2754 98DOPE H11R12572 3.784 0.795 3.771 -0.2967 0.2231 0.1270 98DOPE H11S12573 3.642 0.896 3.812 -0.7204 -0.3455 0.9147 98DOPE C21212574 3.828 1.001 3.834 -0.0358 -0.6671 -0.0564 98DOPE H12R12575 3.789 1.100 3.802 -1.1628 -1.1357 -0.1881 98DOPE H12S12576 3.926 0.995 3.781 -0.5758 0.7858 -1.2878 98DOPE C21312577 3.843 0.999 3.986 -0.6068 -0.4783 0.0020 98DOPE H13R12578 3.896 0.906 4.016 -0.3591 -0.2302 0.3319 98DOPE H13S12579 3.740 1.005 4.028 -1.4425 -0.5977 -1.9395 98DOPE C21412580 3.909 1.115 4.060 -0.5466 -0.4741 -0.0579 98DOPE H14R12581 4.002 1.137 4.005 -0.4099 -2.2626 -0.5730 98DOPE H14S12582 3.938 1.074 4.160 0.6189 2.0359 0.7167 98DOPE C21512583 3.815 1.236 4.071 0.0699 -0.0152 0.2269 98DOPE H15R12584 3.731 1.199 4.133 0.0144 -0.8802 -0.3438 98DOPE H15S12585 3.782 1.263 3.968 1.1411 1.4431 0.2400 98DOPE C21612586 3.887 1.355 4.135 0.1159 -0.2210 0.5619 98DOPE H16R12587 3.958 1.379 4.052 -0.9512 0.1591 -0.2765 98DOPE H16S12588 3.946 1.328 4.225 0.5023 3.7090 1.6873 98DOPE C21712589 3.799 1.476 4.166 -0.0868 -0.2106 -0.0284 98DOPE H17R12590 3.849 1.555 4.226 1.3298 -0.3239 -1.0283 98DOPE H17S12591 3.717 1.439 4.231 -0.5632 1.3027 0.2705 98DOPE C21812592 3.739 1.539 4.041 -0.4285 0.2516 0.3620 98DOPE H18R12593 3.671 1.627 4.051 -1.1393 -0.1746 -0.4981 98DOPE H18S12594 3.674 1.468 3.984 0.3282 -0.5298 0.4414 98DOPE H18T12595 3.817 1.576 3.971 -0.8917 1.4900 0.4782 98DOPE C3312596 2.861 0.541 2.942 0.3919 -0.6134 0.6265 98DOPE H3X12597 2.790 0.581 2.868 0.4331 -0.2304 0.7933 98DOPE H3Y12598 2.964 0.578 2.925 0.7199 -1.2733 1.1207 98DOPE C3412599 2.816 0.598 3.077 -0.1025 0.0740 0.1740 98DOPE H4X12600 2.715 0.552 3.081 -0.9572 1.9070 0.8306 98DOPE H4Y12601 2.883 0.566 3.159 -1.5920 -0.7292 1.1340 98DOPE C3512602 2.800 0.750 3.075 -0.2287 0.0631 0.3122 98DOPE H5X12603 2.737 0.782 2.988 0.4473 2.3265 0.5795 98DOPE H5Y12604 2.901 0.790 3.050 0.6464 -1.5549 1.1137 98DOPE C3612605 2.754 0.814 3.206 0.2591 0.2270 0.4062 98DOPE H6X12606 2.647 0.788 3.219 0.5832 -1.6398 -0.4054 98DOPE H6Y12607 2.807 0.779 3.296 1.3785 -0.5215 -0.5165 98DOPE C3712608 2.776 0.966 3.200 0.4022 0.1746 -0.5606 98DOPE H7X12609 2.716 1.011 3.118 0.3549 0.8316 -0.1698 98DOPE H7Y12610 2.882 0.989 3.174 0.3948 2.3256 1.0789 98DOPE C3812611 2.746 1.038 3.331 -0.8341 -0.4158 -0.5028 98DOPE H8X12612 2.646 1.008 3.366 0.2953 -2.2629 1.3447 98DOPE H8Y12613 2.818 0.992 3.403 -0.8202 1.0330 0.4601 98DOPE C3912614 2.728 1.187 3.334 0.4240 -0.2611 0.3028 98DOPE H9X12615 2.662 1.226 3.255 -1.0621 -0.7799 1.2424 98DOPE C31012616 2.776 1.282 3.415 0.0993 0.2682 -0.1164 98DOPE H10X12617 2.757 1.386 3.386 0.3402 0.6848 1.1269 98DOPE C31112618 2.874 1.258 3.526 -0.4021 -0.1088 0.2499 98DOPE H11X12619 2.968 1.315 3.514 -0.1249 -0.0813 2.2311 98DOPE H11Y12620 2.897 1.149 3.533 -0.0487 -0.0368 0.2350 98DOPE C31212621 2.818 1.293 3.664 0.0367 0.5204 0.2718 98DOPE H12X12622 2.723 1.236 3.669 0.1435 0.1817 -1.1326 98DOPE H12Y12623 2.787 1.400 3.670 -3.6276 -0.4314 0.8871 98DOPE C31312624 2.896 1.235 3.782 0.0038 0.3130 0.1919 98DOPE H13X12625 2.999 1.277 3.777 0.3489 -0.6338 -2.0036 98DOPE H13Y12626 2.911 1.125 3.776 2.5809 0.6346 -0.6476 98DOPE C31412627 2.820 1.249 3.914 -0.2259 -0.6906 0.1691 98DOPE H14X12628 2.800 1.356 3.935 -1.3705 -0.6694 -0.9314 98DOPE H14Y12629 2.723 1.194 3.910 0.1191 -1.2764 -0.4283 98DOPE C31512630 2.900 1.197 4.034 -0.1814 -0.1417 0.3764 98DOPE H15X12631 2.881 1.089 4.049 2.2240 -0.8062 -0.9459 98DOPE H15Y12632 3.009 1.203 4.013 -0.2963 0.1237 -0.1685 98DOPE C31612633 2.869 1.274 4.163 -0.0446 0.2343 0.1863 98DOPE H16X12634 2.905 1.210 4.245 2.6325 0.9188 -0.3770 98DOPE H16Y12635 2.759 1.286 4.176 -0.2930 -2.4967 1.2392 98DOPE C31712636 2.951 1.403 4.173 0.4191 0.0177 -0.7243 98DOPE H17X12637 2.888 1.493 4.156 0.5936 0.3691 0.4327 98DOPE H17Y12638 3.031 1.409 4.096 0.5789 -0.2057 -0.5787 98DOPE C31812639 3.032 1.426 4.300 -0.5790 -0.0025 -0.0704 98DOPE H18X12640 3.104 1.343 4.284 -1.4768 -0.6789 -0.7186 98DOPE H18Y12641 3.083 1.525 4.309 1.5261 -1.0982 0.7615 98DOPE H18Z12642 2.968 1.397 4.386 -0.6249 -0.4650 -0.2606 99DOPE N12643 5.999 2.850 2.787 -0.4797 0.7862 -0.4556 99DOPE HN112644 6.048 2.808 2.868 0.4001 3.5971 0.6052 99DOPE HN212645 5.959 2.939 2.825 -1.5658 -0.7396 2.2572 99DOPE HN312646 5.915 2.795 2.760 -1.3395 0.1534 2.9929 99DOPE C1212647 6.097 2.855 2.672 0.1094 -0.3466 -0.0179 99DOPE H12A12648 6.085 2.761 2.615 -1.4647 1.9416 -3.8418 99DOPE H12B12649 6.197 2.852 2.720 -0.3502 1.6537 1.2173 99DOPE C1112650 6.079 2.982 2.589 0.2134 -0.4377 -0.1778 99DOPE H11A12651 5.975 2.990 2.551 0.2525 -0.7582 -0.3641 99DOPE H11B12652 6.144 2.961 2.501 -0.0819 2.0730 -1.0679 99DOPE P12653 6.118 3.225 2.579 -0.0372 -0.5468 0.2447 99DOPE O1312654 6.189 3.212 2.450 -0.0714 0.0358 0.1665 99DOPE O1412655 5.977 3.263 2.558 0.2011 0.0795 -0.2551 99DOPE O1112656 6.190 3.332 2.674 0.3702 -0.3522 -0.2785 99DOPE O1212657 6.133 3.091 2.665 0.1831 -0.6156 0.0987 99DOPE C112658 6.294 3.289 2.763 0.0819 -0.1519 0.1607 99DOPE HA12659 6.360 3.376 2.785 -0.2404 0.4722 -1.1933 99DOPE HB12660 6.355 3.214 2.709 0.2228 -0.6088 0.9566 99DOPE C212661 6.240 3.232 2.895 0.2121 -0.1917 0.1962 99DOPE HS12662 6.138 3.190 2.882 -0.8341 2.6092 -1.5316 99DOPE O2112663 6.252 3.343 2.985 -0.0437 -0.0079 0.0050 99DOPE C2112664 6.179 3.337 3.096 0.0822 0.0234 0.0904 99DOPE O2212665 6.083 3.264 3.115 0.4162 -0.4761 -0.1206 99DOPE C2212666 6.216 3.449 3.192 0.4297 -0.0087 -0.0040 99DOPE H2R12667 6.148 3.537 3.187 -3.1345 -2.4966 0.5848 99DOPE H2S12668 6.321 3.481 3.174 -0.0259 0.6177 -1.7053 99DOPE C312669 6.335 3.116 2.930 0.4582 0.0026 0.1729 99DOPE HX12670 6.439 3.152 2.909 1.0830 -2.3207 -1.1431 99DOPE HY12671 6.327 3.032 2.858 -1.3427 0.1658 0.1545 99DOPE O3112672 6.316 3.074 3.065 -0.0420 -0.0842 0.0750 99DOPE C3112673 6.243 2.963 3.080 -0.0654 -0.0845 -0.0373 99DOPE O3212674 6.187 2.898 2.994 -0.3897 0.5438 -0.3093 99DOPE C3212675 6.233 2.933 3.229 0.2800 -0.3121 -0.0600 99DOPE H2X12676 6.254 3.030 3.279 0.0359 -0.2403 -0.0961 99DOPE H2Y12677 6.127 2.907 3.245 0.1112 -0.0314 -0.6865 99DOPE C2312678 6.213 3.387 3.332 0.1744 -0.3613 -0.1613 99DOPE H3R12679 6.287 3.304 3.334 0.4978 -0.0848 1.7320 99DOPE H3S12680 6.109 3.360 3.359 -0.7445 1.2821 -1.8284 99DOPE C2412681 6.264 3.485 3.438 -0.0649 -0.9438 0.4992 99DOPE H4R12682 6.230 3.444 3.536 -1.5666 -0.4341 0.2248 99DOPE H4S12683 6.212 3.583 3.427 1.1796 -0.3220 -0.0974 99DOPE C2512684 6.415 3.508 3.447 -0.3223 0.8874 0.6384 99DOPE H5R12685 6.440 3.595 3.382 -2.3858 0.7890 -0.3914 99DOPE H5S12686 6.465 3.423 3.396 -1.4635 0.1169 0.7575 99DOPE C2612687 6.458 3.515 3.593 -0.1825 0.5576 0.6143 99DOPE H6R12688 6.441 3.410 3.626 2.6944 -0.2474 -0.2237 99DOPE H6S12689 6.371 3.561 3.646 -0.8810 -1.1056 0.9993 99DOPE C2712690 6.590 3.581 3.633 0.1195 0.4543 -0.1979 99DOPE H7R12691 6.592 3.688 3.603 -0.0795 0.5784 0.2121 99DOPE H7S12692 6.673 3.525 3.585 -0.1267 -0.3624 0.3001 99DOPE C2812693 6.621 3.571 3.783 -0.0657 0.1769 -0.1765 99DOPE H8R12694 6.731 3.586 3.794 0.0503 1.3321 -2.2495 99DOPE H8S12695 6.593 3.468 3.814 0.3383 0.5261 1.4448 99DOPE C2912696 6.562 3.679 3.869 0.6158 0.2614 0.1933 99DOPE H9R12697 6.603 3.780 3.850 0.4034 0.4768 0.8756 99DOPE C21012698 6.458 3.658 3.950 0.2838 -0.0901 -0.3192 99DOPE H10R12699 6.423 3.742 4.012 0.9715 0.2381 -0.3656 99DOPE C21112700 6.381 3.534 3.986 -0.2347 0.3775 0.2230 99DOPE H11R12701 6.384 3.456 3.906 0.3261 0.3434 0.2675 99DOPE H11S12702 6.270 3.538 3.991 -0.2926 -0.5129 -0.0107 99DOPE C21212703 6.431 3.473 4.117 0.3165 -0.5107 -0.3817 99DOPE H12R12704 6.456 3.558 4.185 -0.1665 -0.9245 0.3274 99DOPE H12S12705 6.523 3.419 4.086 1.4461 0.6284 0.8654 99DOPE C21312706 6.332 3.383 4.190 -0.2070 0.3082 -0.0677 99DOPE H13R12707 6.312 3.294 4.127 -0.4897 0.2316 0.1240 99DOPE H13S12708 6.236 3.436 4.208 0.7548 2.0462 0.1611 99DOPE C21412709 6.400 3.344 4.322 -0.5910 -0.3021 -0.0449 99DOPE H14R12710 6.431 3.436 4.376 -1.4263 0.2972 -0.5464 99DOPE H14S12711 6.489 3.290 4.282 -0.7834 0.7072 -1.9463 99DOPE C21512712 6.309 3.248 4.399 -0.6495 -0.1281 0.1046 99DOPE H15R12713 6.272 3.178 4.321 1.8884 -1.4041 -0.0770 99DOPE H15S12714 6.222 3.311 4.426 -0.1153 0.9344 -0.5842 99DOPE C21612715 6.373 3.175 4.517 -0.0898 -0.5394 -0.4412 99DOPE H16R12716 6.412 3.259 4.580 -1.2728 0.5640 -1.1349 99DOPE H16S12717 6.456 3.107 4.489 -1.0531 -1.8158 -0.2758 99DOPE C21712718 6.274 3.095 4.601 -0.2073 0.2479 0.1879 99DOPE H17R12719 6.236 3.011 4.539 -3.3730 0.2924 1.8398 99DOPE H17S12720 6.187 3.161 4.617 -0.0290 0.0881 2.1900 99DOPE C21812721 6.331 3.060 4.739 0.2157 -0.3069 -0.1200 99DOPE H18R12722 6.349 3.155 4.794 -0.1882 -0.2477 -0.0827 99DOPE H18S12723 6.423 2.998 4.732 0.5716 0.3637 -2.0232 99DOPE H18T12724 6.251 3.004 4.792 -0.1410 -0.1513 -0.4930 99DOPE C3312725 6.327 2.823 3.280 0.2873 -0.2505 0.0597 99DOPE H3X12726 6.433 2.850 3.264 -0.4235 2.2320 -0.8758 99DOPE H3Y12727 6.319 2.729 3.221 2.2420 -0.5128 0.1561 99DOPE C3412728 6.298 2.784 3.425 -0.4493 0.2248 0.0490 99DOPE H4X12729 6.391 2.741 3.469 -0.6582 1.5204 1.8845 99DOPE H4Y12730 6.214 2.711 3.421 -0.9474 0.8363 -1.1017 99DOPE C3512731 6.255 2.895 3.520 -0.3603 0.3106 -0.0108 99DOPE H5X12732 6.176 2.950 3.465 -0.8962 -0.1248 0.3127 99DOPE H5Y12733 6.340 2.964 3.542 -0.7653 1.0251 -0.6734 99DOPE C3612734 6.193 2.846 3.651 0.0516 0.3294 0.1943 99DOPE H6X12735 6.136 2.754 3.626 -0.1112 1.0208 -2.2571 99DOPE H6Y12736 6.128 2.921 3.701 -1.4660 -0.7080 -0.1597 99DOPE C3712737 6.292 2.796 3.757 0.1372 -0.2350 -0.1470 99DOPE H7X12738 6.376 2.732 3.722 -0.2573 -1.4910 1.0902 99DOPE H7Y12739 6.342 2.886 3.798 -2.9214 0.9091 1.4035 99DOPE C3812740 6.217 2.721 3.867 0.0233 0.1573 0.0459 99DOPE H8X12741 6.143 2.653 3.818 -1.7157 2.0189 -0.0283 99DOPE H8Y12742 6.156 2.799 3.917 1.4602 0.3891 1.5271 99DOPE C3912743 6.313 2.662 3.967 -0.5984 -0.5524 0.2343 99DOPE H9X12744 6.395 2.603 3.926 3.5131 3.7386 1.4439 99DOPE C31012745 6.316 2.687 4.099 0.0273 -0.3929 0.1923 99DOPE H10X12746 6.405 2.648 4.150 2.2757 1.8020 -1.7728 99DOPE C31112747 6.211 2.768 4.170 0.0040 -0.3466 0.1056 99DOPE H11X12748 6.264 2.866 4.173 0.1244 -0.4225 0.5760 99DOPE H11Y12749 6.119 2.775 4.109 -0.2013 0.3653 0.4767 99DOPE C31212750 6.174 2.729 4.313 -0.0250 0.3591 0.2980 99DOPE H12X12751 6.118 2.635 4.290 1.9141 -0.3056 -2.0759 99DOPE H12Y12752 6.103 2.803 4.357 0.4997 0.7584 0.4795 99DOPE C31312753 6.287 2.698 4.411 0.0769 0.4914 0.2213 99DOPE H13X12754 6.355 2.617 4.377 -2.0085 -1.2675 0.0722 99DOPE H13Y12755 6.353 2.787 4.422 -2.9940 2.9628 0.0840 99DOPE C31412756 6.231 2.649 4.545 0.5010 0.0563 0.2425 99DOPE H14X12757 6.137 2.705 4.563 0.7045 0.3738 0.3376 99DOPE H14Y12758 6.306 2.677 4.622 0.8183 -0.2983 0.0671 99DOPE C31512759 6.212 2.498 4.535 0.0984 0.1028 0.2990 99DOPE H15X12760 6.313 2.461 4.562 -0.2797 -0.3166 1.1663 99DOPE H15Y12761 6.175 2.460 4.437 -0.2133 0.1392 0.4019 99DOPE C31612762 6.110 2.439 4.632 0.0298 -0.3023 -0.0164 99DOPE H16X12763 6.134 2.459 4.738 0.0179 1.2240 -0.2766 99DOPE H16Y12764 6.013 2.492 4.619 0.4243 0.5504 0.4131 99DOPE C31712765 6.093 2.290 4.600 -0.3302 -0.2400 -0.1276 99DOPE H17X12766 6.041 2.284 4.502 1.9108 -0.6429 -1.3793 99DOPE H17Y12767 6.028 2.249 4.680 -1.0414 1.2070 0.0732 99DOPE C31812768 6.222 2.209 4.583 -0.2357 -0.0615 -0.2699 99DOPE H18X12769 6.192 2.103 4.569 1.5937 -0.5773 -0.4642 99DOPE H18Y12770 6.269 2.227 4.484 1.6426 -0.9013 0.4161 99DOPE H18Z12771 6.293 2.211 4.668 0.8110 0.9739 -1.1276 100DOPE N12772 4.135 3.297 2.487 0.0173 -0.1649 0.2455 100DOPE HN112773 4.035 3.325 2.483 0.5295 1.6680 -1.2681 100DOPE HN212774 4.146 3.194 2.500 0.1990 -0.5290 -2.2725 100DOPE HN312775 4.185 3.346 2.563 0.8105 0.1404 -0.4548 100DOPE C1212776 4.190 3.319 2.348 0.2420 -0.2543 0.3195 100DOPE H12A12777 4.158 3.423 2.324 0.6525 -0.1148 0.3688 100DOPE H12B12778 4.137 3.260 2.270 1.9181 -0.0571 -1.0233 100DOPE C1112779 4.342 3.309 2.334 0.1812 -0.2550 -0.3966 100DOPE H11A12780 4.371 3.326 2.228 0.9939 -0.2525 -0.1817 100DOPE H11B12781 4.353 3.200 2.357 -1.2543 -0.2889 0.2380 100DOPE P12782 4.494 3.508 2.372 0.3404 -0.1371 -0.3286 100DOPE O1312783 4.392 3.576 2.289 -0.3892 0.0031 0.6637 100DOPE O1412784 4.614 3.446 2.311 0.5247 -0.2493 0.1483 100DOPE O1112785 4.524 3.613 2.488 -0.2412 0.2693 -0.5404 100DOPE O1212786 4.406 3.389 2.434 -0.1912 0.1645 -0.4909 100DOPE C112787 4.413 3.649 2.571 0.2683 0.2813 0.1423 100DOPE HA12788 4.316 3.606 2.538 1.2098 -0.7953 -1.3492 100DOPE HB12789 4.408 3.759 2.560 -0.4888 0.3405 0.9017 100DOPE C212790 4.430 3.623 2.722 -0.3991 0.1669 0.2021 100DOPE HS12791 4.518 3.683 2.755 2.4439 -3.8818 0.7411 100DOPE O2112792 4.479 3.491 2.747 0.3698 0.3264 -0.4172 100DOPE C2112793 4.381 3.402 2.734 0.2219 0.3365 0.5218 100DOPE O2212794 4.266 3.425 2.699 0.3634 0.1431 -0.0817 100DOPE C2212795 4.432 3.260 2.751 -0.3343 0.0770 0.0729 100DOPE H2R12796 4.530 3.262 2.699 -0.1587 2.0403 0.3991 100DOPE H2S12797 4.358 3.192 2.703 0.6355 0.2765 -1.7743 100DOPE C312798 4.318 3.677 2.812 -0.7556 -0.3449 0.0722 100DOPE HX12799 4.219 3.654 2.768 -0.9503 0.4024 0.0969 100DOPE HY12800 4.314 3.788 2.804 1.8876 -0.2708 -1.3810 100DOPE O3112801 4.326 3.636 2.949 0.0917 -0.1581 0.0879 100DOPE C3112802 4.406 3.716 3.020 0.0602 0.0972 -0.1610 100DOPE O3212803 4.470 3.810 2.977 1.0109 -0.5326 -0.1556 100DOPE C3212804 4.413 3.673 3.166 -0.0057 -0.1502 -0.2303 100DOPE H2X12805 4.362 3.754 3.221 1.8544 -0.2645 1.7809 100DOPE H2Y12806 4.357 3.578 3.179 0.7126 -0.4759 0.5731 100DOPE C2312807 4.450 3.221 2.898 -0.5696 0.0792 0.1028 100DOPE H3R12808 4.484 3.115 2.903 -0.3771 0.1579 0.5080 100DOPE H3S12809 4.349 3.222 2.946 -0.0804 0.6118 1.1449 100DOPE C2412810 4.550 3.298 2.984 -0.2633 0.1162 -0.2867 100DOPE H4R12811 4.521 3.403 3.006 -3.1886 -0.6708 0.0564 100DOPE H4S12812 4.641 3.301 2.921 -0.3755 3.9642 -0.5052 100DOPE C2512813 4.578 3.233 3.119 0.0772 0.2432 -0.2952 100DOPE H5R12814 4.553 3.125 3.114 -0.1924 0.0846 2.7204 100DOPE H5S12815 4.510 3.279 3.194 -1.1235 0.5316 -1.5178 100DOPE C2612816 4.725 3.243 3.162 0.0908 0.0046 -0.2848 100DOPE H6R12817 4.779 3.340 3.154 1.7291 -0.8345 0.2781 100DOPE H6S12818 4.787 3.191 3.086 1.1722 -0.8240 1.1228 100DOPE C2712819 4.747 3.191 3.304 0.4524 0.3602 -0.2095 100DOPE H7R12820 4.720 3.084 3.318 1.6721 -0.3241 -2.4805 100DOPE H7S12821 4.689 3.256 3.373 1.1751 -0.3369 1.0940 100DOPE C2812822 4.892 3.203 3.353 0.4317 0.2268 -0.1165 100DOPE H8R12823 4.924 3.308 3.341 4.7191 -0.6632 1.7979 100DOPE H8S12824 4.966 3.143 3.297 -1.9187 -1.3189 -1.7290 100DOPE C2912825 4.894 3.160 3.497 -0.1909 0.6866 0.0369 100DOPE H9R12826 4.803 3.117 3.541 -0.2688 -0.5658 -1.2863 100DOPE C21012827 4.982 3.208 3.587 0.4556 -0.2144 -0.0987 100DOPE H10R12828 4.974 3.183 3.694 0.8648 1.1177 0.2688 100DOPE C21112829 5.105 3.290 3.565 0.2478 0.1669 0.1424 100DOPE H11R12830 5.144 3.288 3.461 0.7378 0.2557 0.3222 100DOPE H11S12831 5.186 3.249 3.628 2.0777 -1.4282 -2.9722 100DOPE C21212832 5.084 3.434 3.612 0.3882 0.2748 -0.1196 100DOPE H12R12833 5.179 3.476 3.653 -0.2374 -1.7757 3.9699 100DOPE H12S12834 5.018 3.444 3.701 0.1758 -0.4510 -0.1916 100DOPE C21312835 5.025 3.528 3.507 -0.6177 0.1246 0.3033 100DOPE H13R12836 4.914 3.517 3.511 -0.5712 -0.0936 3.5887 100DOPE H13S12837 5.066 3.514 3.405 -0.5713 1.6094 0.0965 100DOPE C21412838 5.059 3.672 3.548 0.0125 0.1279 -0.2274 100DOPE H14R12839 5.169 3.683 3.534 -0.1084 0.5987 -0.8411 100DOPE H14S12840 5.034 3.686 3.655 1.2412 -0.0067 0.0902 100DOPE C21512841 4.982 3.772 3.462 0.4095 0.3658 -0.3111 100DOPE H15R12842 5.005 3.871 3.505 -1.1718 0.7666 -0.3364 100DOPE H15S12843 4.875 3.752 3.484 1.0584 -3.3291 0.1213 100DOPE C21612844 5.018 3.768 3.313 -0.0564 -0.2353 -0.4129 100DOPE H16R12845 4.989 3.668 3.272 -2.1322 0.2582 -0.2612 100DOPE H16S12846 5.129 3.765 3.308 -0.0342 0.3245 -0.3226 100DOPE C21712847 4.961 3.888 3.237 -0.4466 0.1170 0.4254 100DOPE H17R12848 4.853 3.882 3.264 -1.0939 -1.3617 -2.1146 100DOPE H17S12849 4.974 3.874 3.128 -0.0428 0.4682 0.4259 100DOPE C21812850 5.016 4.025 3.275 0.1166 -0.0090 0.0649 100DOPE H18R12851 4.962 4.109 3.227 0.3894 2.1170 3.1722 100DOPE H18S12852 5.125 4.036 3.256 0.7008 -0.4313 2.7867 100DOPE H18T12853 5.007 4.044 3.384 0.3608 -0.3933 0.1529 100DOPE C3312854 4.557 3.662 3.217 -0.0921 0.1099 0.0747 100DOPE H3X12855 4.611 3.749 3.175 1.2448 -1.3061 -1.3045 100DOPE H3Y12856 4.595 3.564 3.179 -0.4261 0.1282 -0.3179 100DOPE C3412857 4.574 3.669 3.369 0.2145 -0.1404 0.0529 100DOPE H4X12858 4.676 3.649 3.406 0.5278 -0.5932 -1.0130 100DOPE H4Y12859 4.549 3.772 3.402 0.2519 -0.1118 -0.0080 100DOPE C3512860 4.483 3.563 3.431 -0.3923 0.0802 -0.4525 100DOPE H5X12861 4.483 3.465 3.378 0.9335 -0.2948 0.1959 100DOPE H5Y12862 4.377 3.597 3.440 -0.6219 -0.6664 -0.2137 100DOPE C3612863 4.522 3.542 3.577 0.2613 -0.3715 -0.6872 100DOPE H6X12864 4.631 3.557 3.589 0.3675 -1.4896 -0.0743 100DOPE H6Y12865 4.473 3.620 3.638 -0.1948 0.0709 -1.5967 100DOPE C3712866 4.491 3.404 3.635 0.0651 0.0856 0.3165 100DOPE H7X12867 4.383 3.379 3.620 0.3065 -1.2874 0.6936 100DOPE H7Y12868 4.542 3.324 3.578 -0.8574 -0.0602 -0.3358 100DOPE C3812869 4.528 3.385 3.782 -0.2356 0.5402 0.4522 100DOPE H8X12870 4.625 3.435 3.803 -0.3820 0.5931 1.0345 100DOPE H8Y12871 4.451 3.431 3.848 1.4035 2.3928 1.1457 100DOPE C3912872 4.539 3.240 3.819 -0.2921 0.5115 0.3583 100DOPE H9X12873 4.557 3.171 3.735 0.0706 -0.1566 0.9680 100DOPE C31012874 4.528 3.184 3.941 0.1955 0.0567 0.2011 100DOPE H10X12875 4.553 3.078 3.954 -0.8217 -0.4917 -1.9596 100DOPE C31112876 4.512 3.267 4.065 0.0928 -0.4129 0.5044 100DOPE H11X12877 4.596 3.238 4.132 0.6447 0.6246 0.2869 100DOPE H11Y12878 4.505 3.375 4.040 1.1541 -0.4974 -0.2273 100DOPE C31212879 4.393 3.212 4.143 -0.5149 0.1249 -0.0325 100DOPE H12X12880 4.390 3.101 4.143 2.2740 -0.0233 -1.3439 100DOPE H12Y12881 4.304 3.249 4.087 0.0268 1.7385 0.1320 100DOPE C31312882 4.404 3.254 4.290 0.3894 0.2378 -0.1294 100DOPE H13X12883 4.323 3.205 4.348 -0.2661 0.8686 -0.5070 100DOPE H13Y12884 4.499 3.208 4.326 0.9009 -0.0332 -1.7541 100DOPE C31412885 4.413 3.405 4.310 0.3040 0.2322 -0.0495 100DOPE H14X12886 4.324 3.451 4.261 -0.6112 -2.3866 -1.0163 100DOPE H14Y12887 4.501 3.457 4.268 -0.2724 0.8870 -0.4745 100DOPE C31512888 4.393 3.435 4.458 -0.4247 -0.0313 -0.0902 100DOPE H15X12889 4.481 3.396 4.514 -0.5543 0.8413 0.7498 100DOPE H15Y12890 4.304 3.378 4.494 -1.3276 -0.8185 -3.2881 100DOPE C31612891 4.383 3.582 4.500 0.3356 0.0863 -0.3075 100DOPE H16X12892 4.318 3.635 4.427 -0.7051 -1.2239 -0.3632 100DOPE H16Y12893 4.485 3.623 4.510 0.4900 -0.2756 -0.3833 100DOPE C31712894 4.308 3.602 4.631 0.4293 0.3074 -0.2867 100DOPE H17X12895 4.212 3.545 4.629 0.7700 -0.3432 0.9859 100DOPE H17Y12896 4.287 3.707 4.662 0.1461 -0.5527 2.8619 100DOPE C31812897 4.388 3.560 4.754 -0.3198 0.0786 0.1314 100DOPE H18X12898 4.422 3.455 4.741 3.4166 0.8981 1.7429 100DOPE H18Y12899 4.473 3.630 4.769 0.4103 0.3147 -4.1035 100DOPE H18Z12900 4.328 3.556 4.848 0.3350 -0.7827 0.5248 101DOPE N12901 4.453 0.393 2.155 0.3907 -0.2991 -0.5377 101DOPE HN112902 4.554 0.382 2.176 0.8348 1.6695 -1.3670 101DOPE HN212903 4.436 0.420 2.056 0.2439 -0.2831 -0.5083 101DOPE HN312904 4.435 0.476 2.215 2.5276 0.0256 -0.2635 101DOPE C1212905 4.372 0.270 2.190 -0.0044 0.0662 -0.1467 101DOPE H12A12906 4.377 0.207 2.099 -0.8637 0.2845 -0.3470 101DOPE H12B12907 4.266 0.300 2.203 -0.4364 -1.3001 -0.3354 101DOPE C1112908 4.430 0.202 2.314 0.3542 -0.1474 -0.4292 101DOPE H11A12909 4.408 0.093 2.323 2.2234 -0.3970 2.9975 101DOPE H11B12910 4.384 0.244 2.406 0.7228 -2.2373 0.7808 101DOPE P12911 4.655 0.123 2.409 0.0520 -0.1663 0.1182 101DOPE O1312912 4.794 0.174 2.412 -0.0363 0.0687 0.3536 101DOPE O1412913 4.637 -0.015 2.361 -0.5114 0.0429 -0.2908 101DOPE O1112914 4.587 0.137 2.554 -0.2150 -0.3677 0.0134 101DOPE O1212915 4.572 0.220 2.313 0.4063 -0.5456 -0.5739 101DOPE C112916 4.614 0.256 2.629 0.0366 -0.3699 -0.0714 101DOPE HA12917 4.528 0.284 2.693 -2.9118 -0.2253 -3.7383 101DOPE HB12918 4.630 0.345 2.563 1.1765 -0.5442 -0.0477 101DOPE C212919 4.738 0.240 2.717 -0.0995 0.0699 0.2064 101DOPE HS12920 4.825 0.231 2.648 0.3533 1.9947 0.4623 101DOPE O2112921 4.724 0.118 2.791 0.2142 -0.2680 -0.2827 101DOPE C2112922 4.837 0.064 2.838 0.1854 0.0503 0.1575 101DOPE O2212923 4.947 0.116 2.832 0.2412 -0.1143 -0.2993 101DOPE C2212924 4.806 -0.073 2.895 -0.0210 0.1062 0.1876 101DOPE H2R12925 4.837 -0.156 2.827 -2.2631 -0.6346 -0.0022 101DOPE H2S12926 4.696 -0.088 2.897 0.2167 -1.9867 0.2852 101DOPE C312927 4.755 0.362 2.809 -0.0630 0.0882 0.1754 101DOPE HX12928 4.763 0.451 2.743 2.0167 -0.9493 -1.0947 101DOPE HY12929 4.847 0.350 2.871 -0.0139 -1.8062 -0.1940 101DOPE O3112930 4.640 0.379 2.892 0.1784 -0.0574 0.5420 101DOPE C3112931 4.639 0.494 2.959 0.0357 -0.0152 0.4671 101DOPE O3212932 4.716 0.585 2.934 0.0692 0.1413 1.1135 101DOPE C3212933 4.518 0.505 3.051 -0.4118 -0.5695 -0.0504 101DOPE H2X12934 4.423 0.495 2.994 -1.0197 2.3160 0.2828 101DOPE H2Y12935 4.524 0.430 3.132 0.2843 -0.3869 0.0722 101DOPE C2312936 4.858 -0.080 3.038 0.3426 0.2896 0.0666 101DOPE H3R12937 4.792 -0.020 3.104 0.7554 1.6670 -0.7372 101DOPE H3S12938 4.958 -0.032 3.035 0.0167 0.9026 -2.1725 101DOPE C2412939 4.871 -0.221 3.096 0.4265 0.4523 0.4517 101DOPE H4R12940 4.962 -0.269 3.054 0.0746 0.1555 0.0195 101DOPE H4S12941 4.771 -0.260 3.064 0.0587 0.7065 1.2668 101DOPE C2512942 4.882 -0.242 3.247 0.0439 -0.0939 0.4086 101DOPE H5R12943 4.955 -0.162 3.272 -0.7698 1.3218 -1.4833 101DOPE H5S12944 4.916 -0.346 3.265 -1.0703 -0.8617 -1.6300 101DOPE C2612945 4.750 -0.209 3.318 -0.2642 -0.3943 -0.0199 101DOPE H6R12946 4.668 -0.272 3.278 0.9024 -1.9115 -0.1194 101DOPE H6S12947 4.725 -0.105 3.290 2.0725 0.1553 -0.2856 101DOPE C2712948 4.761 -0.234 3.469 -0.6288 0.3282 0.1296 101DOPE H7R12949 4.780 -0.342 3.486 -1.8892 0.4016 2.3592 101DOPE H7S12950 4.668 -0.203 3.520 -0.1481 -0.1149 1.2996 101DOPE C2812951 4.885 -0.178 3.538 -0.2221 -0.3759 -0.0237 101DOPE H8R12952 4.977 -0.227 3.498 1.1682 1.4876 0.7300 101DOPE H8S12953 4.892 -0.206 3.646 -0.4974 -0.3682 -0.0044 101DOPE C2912954 4.900 -0.030 3.522 -0.6622 -0.3739 -0.4153 101DOPE H9R12955 4.918 -0.005 3.416 -0.4070 2.6350 0.2420 101DOPE C21012956 4.888 0.063 3.618 -0.0276 0.0434 -0.7319 101DOPE H10R12957 4.896 0.167 3.582 1.0577 0.2803 0.1244 101DOPE C21112958 4.851 0.040 3.761 -0.5996 0.2221 -0.8498 101DOPE H11R12959 4.763 -0.027 3.772 -1.5379 1.4925 -0.3119 101DOPE H11S12960 4.817 0.134 3.810 -1.5944 -0.0864 -0.9182 101DOPE C21212961 4.970 0.002 3.849 -0.8723 0.3226 -0.4327 101DOPE H12R12962 5.044 0.084 3.862 0.2161 -0.6713 -0.0931 101DOPE H12S12963 5.024 -0.087 3.809 0.5870 1.3809 -0.8848 101DOPE C21312964 4.919 -0.041 3.987 -0.3719 -0.2127 -0.4107 101DOPE H13R12965 4.867 -0.139 3.994 -0.6325 0.0194 1.9238 101DOPE H13S12966 4.857 0.043 4.025 -0.3079 -0.2045 -0.3168 101DOPE C21412967 5.024 -0.076 4.093 -0.6276 -0.0370 -0.0976 101DOPE H14R12968 5.068 0.023 4.119 -3.4223 0.9942 1.0529 101DOPE H14S12969 5.098 -0.149 4.054 -1.9863 -1.6855 0.2925 101DOPE C21512970 4.966 -0.145 4.216 -0.2456 -0.0301 0.0870 101DOPE H15R12971 4.923 -0.244 4.191 -0.7098 -0.4527 2.2974 101DOPE H15S12972 4.884 -0.084 4.259 0.8168 2.5931 -1.3941 101DOPE C21612973 5.072 -0.147 4.327 -0.2326 -0.7241 0.0628 101DOPE H16R12974 5.115 -0.045 4.326 -0.5004 -0.5538 2.0882 101DOPE H16S12975 5.154 -0.221 4.312 1.2180 1.0186 -1.0404 101DOPE C21712976 5.010 -0.175 4.464 0.0873 -0.3607 0.2850 101DOPE H17R12977 4.934 -0.252 4.440 0.7468 -1.2180 0.8730 101DOPE H17S12978 4.957 -0.081 4.490 0.1143 0.5687 -2.6427 101DOPE C21812979 5.110 -0.223 4.569 0.3749 -0.3122 0.0367 101DOPE H18R12980 5.056 -0.228 4.667 0.0503 -1.3334 -0.1819 101DOPE H18S12981 5.175 -0.134 4.581 -2.2791 1.6523 0.8852 101DOPE H18T12982 5.166 -0.312 4.534 2.9985 1.6138 -0.9244 101DOPE C3312983 4.516 0.645 3.114 -0.2949 -0.6751 0.1881 101DOPE H3X12984 4.492 0.721 3.037 -0.5203 -0.4848 0.4459 101DOPE H3Y12985 4.619 0.665 3.149 -0.5741 0.8125 0.2255 101DOPE C3412986 4.408 0.658 3.221 -0.5912 0.2139 -0.2160 101DOPE H4X12987 4.306 0.655 3.175 -1.8465 1.2031 2.2936 101DOPE H4Y12988 4.422 0.761 3.259 2.1367 -0.1455 -0.0948 101DOPE C3512989 4.417 0.556 3.334 -0.1561 0.6630 0.1556 101DOPE H5X12990 4.519 0.573 3.375 -0.7194 1.7658 1.1547 101DOPE H5Y12991 4.397 0.451 3.305 2.9343 -0.7079 2.3740 101DOPE C3612992 4.319 0.585 3.448 -0.5139 -0.0725 0.0378 101DOPE H6X12993 4.335 0.690 3.479 1.6682 -0.6304 0.9827 101DOPE H6Y12994 4.214 0.565 3.416 -0.9311 2.4027 -0.3738 101DOPE C3712995 4.357 0.500 3.569 0.4382 -0.2448 -0.3724 101DOPE H7X12996 4.355 0.395 3.533 -2.0433 -0.7492 0.9853 101DOPE H7Y12997 4.461 0.529 3.597 -0.2388 -0.2534 2.4506 101DOPE C3812998 4.272 0.525 3.694 0.4455 -0.2011 -0.3760 101DOPE H8X12999 4.167 0.511 3.660 0.0633 2.0199 -0.2386 101DOPE H8Y13000 4.280 0.629 3.732 0.3007 -0.2449 -0.2213 101DOPE C3913001 4.309 0.433 3.807 -0.5867 -0.3559 -0.1527 101DOPE H9X13002 4.362 0.345 3.766 -0.2021 0.9860 -2.7593 101DOPE C31013003 4.295 0.447 3.939 0.2134 0.5249 -0.1561 101DOPE H10X13004 4.334 0.373 4.011 2.1019 0.7995 -0.8278 101DOPE C31113005 4.218 0.561 4.000 0.0206 0.0934 0.4150 101DOPE H11X13006 4.231 0.657 3.946 -0.2724 -0.3419 -0.4365 101DOPE H11Y13007 4.251 0.577 4.105 0.5612 2.1632 -0.0296 101DOPE C31213008 4.069 0.537 4.024 -0.0656 0.0567 -0.1463 101DOPE H12X13009 4.047 0.463 4.104 1.4172 -0.1783 0.0760 101DOPE H12Y13010 4.029 0.503 3.927 -0.1988 2.0238 -0.8212 101DOPE C31313011 4.001 0.667 4.067 0.0290 0.2718 -0.6365 101DOPE H13X13012 3.894 0.642 4.084 -0.1199 1.3152 0.1163 101DOPE H13Y13013 4.000 0.744 3.988 0.4132 1.2345 0.2715 101DOPE C31413014 4.044 0.729 4.201 0.6607 -0.6689 -0.3947 101DOPE H14X13015 4.140 0.783 4.191 -0.3661 1.4970 0.8262 101DOPE H14Y13016 3.968 0.809 4.210 -1.1870 -2.4441 0.7946 101DOPE C31513017 4.034 0.644 4.327 -0.4126 0.0531 0.0253 101DOPE H15X13018 3.938 0.594 4.350 0.0654 -1.2236 -0.6575 101DOPE H15Y13019 4.099 0.555 4.306 0.0067 0.7779 -1.9061 101DOPE C31613020 4.078 0.728 4.447 0.3072 -0.2516 -0.0174 101DOPE H16X13021 3.989 0.790 4.472 0.3575 0.3337 -1.2436 101DOPE H16Y13022 4.153 0.805 4.417 0.0868 0.1884 0.5392 101DOPE C31713023 4.127 0.656 4.573 0.3050 0.0308 0.1463 101DOPE H17X13024 4.218 0.601 4.542 0.0565 -0.6176 0.5370 101DOPE H17Y13025 4.057 0.576 4.606 0.7873 0.4562 2.3535 101DOPE C31813026 4.167 0.747 4.689 0.2978 0.0402 0.1417 101DOPE H18X13027 4.243 0.819 4.653 -0.9145 0.5101 -1.6173 101DOPE H18Y13028 4.073 0.802 4.709 0.3886 0.0127 0.6558 101DOPE H18Z13029 4.198 0.692 4.780 3.0063 -1.3290 -1.4719 102DOPE N13030 1.591 2.460 2.326 -0.1717 -0.2402 0.3519 102DOPE HN113031 1.685 2.420 2.347 -0.8751 -0.6301 3.0572 102DOPE HN213032 1.518 2.399 2.368 -2.4872 1.6511 -0.6798 102DOPE HN313033 1.573 2.447 2.224 0.4015 -0.1375 0.2317 102DOPE C1213034 1.583 2.604 2.371 0.5299 -0.2611 0.5534 102DOPE H12A13035 1.589 2.587 2.481 0.1160 0.3826 0.6819 102DOPE H12B13036 1.489 2.644 2.328 -0.5761 -1.9464 1.2609 102DOPE C1113037 1.700 2.693 2.328 -0.2643 0.4269 -0.2113 102DOPE H11A13038 1.687 2.790 2.381 1.0757 0.3078 0.3736 102DOPE H11B13039 1.698 2.710 2.218 1.8722 0.9979 -0.2063 102DOPE P13040 1.955 2.717 2.359 0.0881 -0.2568 -0.0030 102DOPE O1313041 1.976 2.759 2.218 -0.0214 -0.9804 -0.2398 102DOPE O1413042 2.057 2.634 2.426 -0.0570 -0.1112 0.4024 102DOPE O1113043 1.919 2.847 2.445 -0.0865 0.0637 -0.5510 102DOPE O1213044 1.822 2.629 2.366 -0.3668 0.4274 0.1239 102DOPE C113045 1.875 2.837 2.581 -0.1707 -0.0788 -0.5883 102DOPE HA13046 1.839 2.738 2.616 0.2814 0.6523 2.1498 102DOPE HB13047 1.797 2.915 2.600 0.0896 -0.3143 1.7352 102DOPE C213048 1.982 2.878 2.683 -0.4912 -0.3836 -0.1278 102DOPE HS13049 1.922 2.865 2.776 -1.3761 -1.5932 -0.8428 102DOPE O2113050 2.030 3.009 2.652 -0.4761 -0.2797 0.3208 102DOPE C2113051 2.045 3.078 2.765 0.1441 0.1272 -0.0024 102DOPE O2213052 2.020 3.033 2.876 0.1537 -0.8399 -0.3837 102DOPE C2213053 2.085 3.220 2.730 0.3905 -0.0701 -0.5218 102DOPE H2R13054 2.013 3.280 2.670 0.4366 0.4608 -0.0473 102DOPE H2S13055 2.183 3.209 2.679 1.3968 0.7490 1.1655 102DOPE C313056 2.094 2.773 2.699 0.1191 0.3024 0.1542 102DOPE HX13057 2.150 2.780 2.603 -0.5669 0.3379 -0.2551 102DOPE HY13058 2.050 2.671 2.694 1.1118 -0.1286 0.0905 102DOPE O3113059 2.178 2.787 2.814 -0.3548 0.4908 0.4838 102DOPE C3113060 2.280 2.872 2.810 0.2456 -0.2297 0.1213 102DOPE O3213061 2.300 2.947 2.715 -0.1277 -0.1227 0.1247 102DOPE C3213062 2.359 2.869 2.940 0.1119 -0.1857 0.2027 102DOPE H2X13063 2.333 2.779 3.000 -0.8981 -0.2031 -0.2427 102DOPE H2Y13064 2.466 2.857 2.913 0.3642 1.7591 0.2205 102DOPE C2313065 2.116 3.292 2.861 -0.0206 -0.0175 -0.4514 102DOPE H3R13066 2.197 3.241 2.917 0.6432 1.6736 0.1938 102DOPE H3S13067 2.027 3.282 2.927 0.8105 0.9916 0.8831 102DOPE C2413068 2.153 3.440 2.844 -0.1415 0.0650 -0.0069 102DOPE H4R13069 2.074 3.480 2.778 0.4643 -1.0585 -1.4967 102DOPE H4S13070 2.254 3.462 2.804 -0.4582 0.2186 -0.7294 102DOPE C2513071 2.136 3.514 2.977 -0.0623 0.1028 -0.0178 102DOPE H5R13072 2.036 3.500 3.023 0.3350 -0.5391 0.6733 102DOPE H5S13073 2.147 3.624 2.968 -3.4656 0.4052 -2.2112 102DOPE C2613074 2.242 3.479 3.081 0.2194 0.1207 -0.2958 102DOPE H6R13075 2.339 3.484 3.027 -0.0197 -0.6693 -0.8097 102DOPE H6S13076 2.237 3.379 3.130 -3.1038 -0.6572 -1.9290 102DOPE C2713077 2.253 3.587 3.189 -0.1027 0.0135 -0.1546 102DOPE H7R13078 2.152 3.616 3.223 0.5458 0.6381 1.3762 102DOPE H7S13079 2.290 3.678 3.137 -0.4220 -0.6292 -1.5501 102DOPE C2813080 2.338 3.557 3.314 -0.0061 0.3217 -0.1469 102DOPE H8R13081 2.348 3.656 3.363 -0.2801 0.8217 -1.0739 102DOPE H8S13082 2.433 3.507 3.284 -0.1638 -0.1682 0.1692 102DOPE C2913083 2.264 3.468 3.410 1.0278 -0.0495 0.3142 102DOPE H9R13084 2.187 3.413 3.354 2.1246 -1.4471 0.1162 102DOPE C21013085 2.268 3.466 3.544 0.7651 -0.4029 0.3174 102DOPE H10R13086 2.222 3.380 3.594 0.1838 -0.2862 -0.0156 102DOPE C21113087 2.378 3.538 3.617 0.8214 -0.1489 -0.0125 102DOPE H11R13088 2.378 3.642 3.579 0.1280 -0.2811 -0.3931 102DOPE H11S13089 2.479 3.507 3.582 0.6256 1.2911 -2.0254 102DOPE C21213090 2.356 3.509 3.766 -0.0248 -0.0132 -0.1101 102DOPE H12R13091 2.339 3.400 3.780 0.3503 0.0335 0.7198 102DOPE H12S13092 2.262 3.554 3.804 -0.9996 -1.5194 -0.6208 102DOPE C21313093 2.474 3.547 3.854 -0.1715 -0.1270 0.1356 102DOPE H13R13094 2.484 3.657 3.862 -2.0579 0.1176 -0.5461 102DOPE H13S13095 2.563 3.508 3.800 -0.0941 1.0519 -0.6169 102DOPE C21413096 2.472 3.493 3.997 0.0886 -0.4481 0.0193 102DOPE H14R13097 2.560 3.546 4.041 0.4373 -0.7359 -0.3246 102DOPE H14S13098 2.487 3.383 3.990 -1.2519 -0.5307 -2.2305 102DOPE C21513099 2.346 3.532 4.075 0.2666 -0.1597 0.1627 102DOPE H15R13100 2.257 3.491 4.023 0.6823 0.5001 -1.1056 102DOPE H15S13101 2.334 3.642 4.065 0.3522 0.2826 3.7249 102DOPE C21613102 2.355 3.499 4.224 0.4070 0.1067 0.2147 102DOPE H16R13103 2.292 3.571 4.280 -0.5936 -2.2285 2.2981 102DOPE H16S13104 2.461 3.510 4.255 0.2343 0.7695 0.5843 102DOPE C21713105 2.329 3.352 4.259 0.6252 0.0511 0.1442 102DOPE H17R13106 2.411 3.293 4.214 0.9036 0.5893 -0.0687 102DOPE H17S13107 2.239 3.317 4.205 1.7725 1.3210 -2.8190 102DOPE C21813108 2.300 3.317 4.405 -0.4054 0.4803 0.0472 102DOPE H18R13109 2.393 3.341 4.460 0.4062 -1.8277 -0.2431 102DOPE H18S13110 2.267 3.211 4.408 -1.3406 0.7524 -0.0148 102DOPE H18T13111 2.215 3.382 4.438 0.2561 1.2861 0.2007 102DOPE C3313112 2.333 2.994 3.025 0.7932 0.2208 -0.1831 102DOPE H3X13113 2.391 3.073 2.972 1.4468 -1.2615 -1.7896 102DOPE H3Y13114 2.226 3.022 3.017 0.9128 0.5965 -0.4887 102DOPE C3413115 2.361 2.958 3.171 -0.6342 -0.1883 0.0055 102DOPE H4X13116 2.326 2.856 3.197 0.8303 -0.4004 1.2931 102DOPE H4Y13117 2.472 2.964 3.177 -0.6078 -1.2403 0.9736 102DOPE C3513118 2.307 3.056 3.275 -0.0182 0.0717 0.0857 102DOPE H5X13119 2.197 3.062 3.261 -0.1491 -2.1277 -0.1653 102DOPE H5Y13120 2.342 3.160 3.259 0.8504 -0.4279 -1.4164 102DOPE C3613121 2.346 3.009 3.416 0.4413 -0.1228 -0.1036 102DOPE H6X13122 2.325 2.902 3.439 1.7535 -0.7146 -1.5241 102DOPE H6Y13123 2.456 3.024 3.416 0.3962 0.2410 0.4112 102DOPE C3713124 2.295 3.115 3.514 0.0170 -0.2728 -0.1581 102DOPE H7X13125 2.188 3.126 3.487 0.4261 0.2934 -1.6650 102DOPE H7Y13126 2.349 3.212 3.505 0.0458 -0.3967 -1.6675 102DOPE C3813127 2.290 3.054 3.654 0.2965 0.4704 0.1830 102DOPE H8X13128 2.235 2.957 3.654 1.5257 -0.2763 1.6333 102DOPE H8Y13129 2.393 3.029 3.689 -0.4295 0.5703 2.5678 102DOPE C3913130 2.223 3.136 3.760 0.3259 0.6731 0.0454 102DOPE H9X13131 2.136 3.198 3.736 -1.2899 -0.5399 2.3814 102DOPE C31013132 2.248 3.137 3.891 -0.4920 0.1065 0.2161 102DOPE H10X13133 2.180 3.200 3.951 -2.0258 0.5137 -1.8675 102DOPE C31113134 2.353 3.057 3.963 0.0098 0.1974 -0.4131 102DOPE H11X13135 2.432 3.129 3.994 0.4823 0.3122 -1.7931 102DOPE H11Y13136 2.408 2.980 3.904 -0.2935 -2.0319 2.0330 102DOPE C31213137 2.280 2.986 4.077 0.3389 -0.1893 -0.4421 102DOPE H12X13138 2.251 3.064 4.151 -0.1010 -0.4969 -0.2869 102DOPE H12Y13139 2.185 2.945 4.038 -1.8372 -0.0475 4.1335 102DOPE C31313140 2.375 2.900 4.160 0.0126 -0.0594 0.0707 102DOPE H13X13141 2.469 2.951 4.190 0.5155 -0.9329 0.0250 102DOPE H13Y13142 2.408 2.814 4.097 2.0312 -0.6562 1.8058 102DOPE C31413143 2.318 2.843 4.290 -0.1856 -0.2347 -0.0931 102DOPE H14X13144 2.319 2.936 4.349 -0.5652 0.2658 -0.8591 102DOPE H14Y13145 2.213 2.810 4.271 -0.4240 0.2432 0.3786 102DOPE C31513146 2.396 2.729 4.356 0.0408 -0.1057 -0.1360 102DOPE H15X13147 2.405 2.633 4.300 1.8571 0.2410 -0.4875 102DOPE H15Y13148 2.496 2.774 4.375 0.4031 -0.4822 -1.1153 102DOPE C31613149 2.340 2.694 4.495 0.1120 -0.2382 -0.1406 102DOPE H16X13150 2.243 2.640 4.482 0.5108 -1.6866 2.2563 102DOPE H16Y13151 2.319 2.788 4.549 -0.1599 -1.2360 1.5561 102DOPE C31713152 2.437 2.606 4.575 0.2304 -0.2237 -0.2672 102DOPE H17X13153 2.530 2.663 4.592 1.4144 -2.0463 -0.4215 102DOPE H17Y13154 2.455 2.519 4.508 1.2555 -0.3966 0.2192 102DOPE C31813155 2.375 2.565 4.708 0.4638 0.6512 0.1169 102DOPE H18X13156 2.437 2.492 4.766 -0.6439 1.0307 1.8315 102DOPE H18Y13157 2.357 2.656 4.770 -0.6722 -0.3859 1.3744 102DOPE H18Z13158 2.275 2.519 4.696 0.6890 0.3056 -0.4922 103DOPE N13159 4.728 5.684 2.481 0.4237 -0.1888 0.5263 103DOPE HN113160 4.698 5.744 2.402 1.2940 -0.9354 -0.3995 103DOPE HN213161 4.830 5.673 2.463 0.6719 2.2260 0.0781 103DOPE HN313162 4.684 5.591 2.465 0.0400 0.2270 -0.9815 103DOPE C1213163 4.693 5.744 2.616 0.0856 0.1151 0.3059 103DOPE H12A13164 4.759 5.832 2.621 2.0067 -1.2669 0.4183 103DOPE H12B13165 4.719 5.668 2.693 -0.0370 -0.4683 -0.2116 103DOPE C1113166 4.542 5.768 2.624 -0.0419 -0.4033 -0.4050 103DOPE H11A13167 4.525 5.868 2.578 -0.5393 -0.2676 0.0580 103DOPE H11B13168 4.518 5.767 2.732 1.5652 -0.5494 -0.0263 103DOPE P13169 4.315 5.689 2.560 0.1872 -0.0412 0.1546 103DOPE O1313170 4.252 5.561 2.520 -0.3119 0.2592 -0.0297 103DOPE O1413171 4.290 5.802 2.468 0.3018 -0.6756 -0.6651 103DOPE O1113172 4.284 5.730 2.712 -0.1185 -0.3201 0.1702 103DOPE O1213173 4.473 5.664 2.553 0.1125 -0.3212 -0.6776 103DOPE C113174 4.149 5.772 2.730 -0.0132 0.1395 -0.0804 103DOPE HA13175 4.115 5.730 2.827 -0.0843 -0.8371 -0.5150 103DOPE HB13176 4.085 5.721 2.654 1.9293 -1.1095 -0.9676 103DOPE C213177 4.130 5.924 2.726 -0.4328 0.1189 0.7815 103DOPE HS13178 4.182 5.954 2.632 -0.0228 1.7011 1.4752 103DOPE O2113179 4.205 5.970 2.839 -0.1399 -0.0754 0.6704 103DOPE C2113180 4.243 6.098 2.842 0.6368 -0.2751 -0.3734 103DOPE O2213181 4.207 6.179 2.758 -0.1983 -0.3341 -0.0794 103DOPE C2213182 4.335 6.117 2.962 0.0680 -0.8022 0.1503 103DOPE H2R13183 4.380 6.218 2.962 -2.0398 0.2061 1.0822 103DOPE H2S13184 4.419 6.045 2.963 0.6635 -0.1327 -0.5327 103DOPE C313185 3.981 5.962 2.720 -0.4525 -0.1045 -0.5068 103DOPE HX13186 3.925 5.921 2.633 -0.4034 1.0768 -1.1097 103DOPE HY13187 3.969 6.072 2.712 -0.6886 0.1336 2.1531 103DOPE O3113188 3.913 5.913 2.836 0.3120 0.2639 0.1126 103DOPE C3113189 3.911 5.996 2.940 -0.3897 0.2474 0.1231 103DOPE O3213190 3.944 6.114 2.936 0.0593 0.1055 -0.5319 103DOPE C3213191 3.867 5.919 3.063 0.6947 -0.2114 0.2344 103DOPE H2X13192 3.841 5.813 3.039 2.0557 -0.6236 0.4963 103DOPE H2Y13193 3.953 5.901 3.132 -0.2740 0.3381 1.6238 103DOPE C2313194 4.258 6.094 3.092 -0.1004 0.0270 0.2015 103DOPE H3R13195 4.232 5.986 3.093 0.2470 -0.1203 -1.8469 103DOPE H3S13196 4.164 6.154 3.091 0.1629 0.4438 -0.7288 103DOPE C2413197 4.341 6.129 3.216 0.1202 -0.0654 0.0807 103DOPE H4R13198 4.323 6.237 3.235 0.0472 0.1153 -0.9604 103DOPE H4S13199 4.448 6.108 3.195 0.7198 0.6782 2.1126 103DOPE C2513200 4.297 6.053 3.341 -0.2077 0.4072 0.2543 103DOPE H5R13201 4.269 5.950 3.312 -0.7669 0.5125 0.3940 103DOPE H5S13202 4.220 6.112 3.396 0.9052 1.4573 0.7416 103DOPE C2613203 4.415 6.041 3.438 -0.1460 -0.0782 0.1192 103DOPE H6R13204 4.483 6.128 3.428 -0.1344 0.0912 1.5404 103DOPE H6S13205 4.486 5.965 3.399 -0.1191 0.1904 -0.3633 103DOPE C2713206 4.367 6.004 3.578 -0.0942 -0.3122 0.0760 103DOPE H7R13207 4.304 5.914 3.560 2.3564 -1.9417 -0.8695 103DOPE H7S13208 4.302 6.080 3.627 2.3801 1.6744 0.4677 103DOPE C2813209 4.482 5.993 3.677 0.2916 -0.2627 -0.3637 103DOPE H8R13210 4.556 5.924 3.630 0.3188 -0.0660 -0.6127 103DOPE H8S13211 4.442 5.941 3.767 1.7878 -1.0163 -0.0976 103DOPE C2913212 4.549 6.122 3.718 -0.7239 0.1212 0.1235 103DOPE H9R13213 4.605 6.184 3.646 -0.4263 0.8144 0.9350 103DOPE C21013214 4.547 6.182 3.837 -0.1606 0.3068 0.0446 103DOPE H10R13215 4.600 6.276 3.855 0.3873 -0.2264 1.4016 103DOPE C21113216 4.489 6.122 3.963 0.1016 -0.1413 -0.0440 103DOPE H11R13217 4.402 6.057 3.939 -1.9730 2.6131 -0.5452 103DOPE H11S13218 4.437 6.203 4.018 2.1877 1.8470 -0.8110 103DOPE C21213219 4.587 6.062 4.064 -0.0811 0.0368 0.2403 103DOPE H12R13220 4.656 5.999 4.005 0.6758 0.0346 1.0981 103DOPE H12S13221 4.534 5.996 4.136 -3.0809 1.1208 -0.7907 103DOPE C21313222 4.672 6.167 4.138 0.3529 0.1529 -0.4143 103DOPE H13R13223 4.681 6.249 4.063 -1.7195 0.2810 -0.5856 103DOPE H13S13224 4.771 6.129 4.169 -0.0519 -0.6420 -0.0377 103DOPE C21413225 4.596 6.232 4.253 0.5156 -0.3964 0.0091 103DOPE H14R13226 4.561 6.162 4.332 0.5080 -1.1174 -0.6249 103DOPE H14S13227 4.508 6.287 4.214 0.4188 -0.9992 -0.6333 103DOPE C21513228 4.675 6.350 4.312 0.5450 -0.4511 0.0785 103DOPE H15R13229 4.700 6.425 4.235 -0.7175 0.2191 0.2951 103DOPE H15S13230 4.774 6.311 4.344 0.9427 -0.1284 -0.7551 103DOPE C21613231 4.598 6.405 4.433 0.4805 -0.1946 -0.0800 103DOPE H16R13232 4.588 6.321 4.504 5.9374 -0.9916 0.1418 103DOPE H16S13233 4.495 6.441 4.412 0.1627 -0.2737 1.2664 103DOPE C21713234 4.679 6.514 4.503 -0.5733 0.2714 0.4276 103DOPE H17R13235 4.781 6.476 4.525 0.6597 3.0109 -0.1685 103DOPE H17S13236 4.618 6.532 4.594 0.3437 -1.2968 1.4052 103DOPE C21813237 4.690 6.646 4.428 0.3341 -0.1105 -0.1206 103DOPE H18R13238 4.588 6.688 4.413 -0.2340 -2.1188 -2.8355 103DOPE H18S13239 4.719 6.637 4.321 -1.6096 2.2353 -0.9233 103DOPE H18T13240 4.755 6.715 4.486 0.7352 -0.7060 0.1402 103DOPE C3313241 3.759 6.001 3.133 -0.1371 -0.3266 -0.8875 103DOPE H3X13242 3.674 6.023 3.064 0.6630 0.0408 -1.7757 103DOPE H3Y13243 3.805 6.089 3.181 -0.7584 -0.3946 -0.1290 103DOPE C3413244 3.696 5.924 3.250 0.4977 0.4939 0.0080 103DOPE H4X13245 3.649 5.830 3.214 1.6801 0.1168 -0.6120 103DOPE H4Y13246 3.781 5.904 3.319 0.9098 -1.1740 -0.9224 103DOPE C3513247 3.588 5.999 3.329 0.0821 0.0314 -0.1117 103DOPE H5X13248 3.493 6.005 3.272 -0.8015 -2.2361 0.9980 103DOPE H5Y13249 3.632 6.100 3.343 3.2278 -1.3085 0.6340 103DOPE C3613250 3.551 5.936 3.463 -0.4635 0.1035 -0.2260 103DOPE H6X13251 3.645 5.900 3.510 -0.6664 -2.3251 -1.5324 103DOPE H6Y13252 3.488 5.846 3.452 -0.0742 -0.0913 -0.9249 103DOPE C3713253 3.481 6.035 3.556 0.0605 0.2951 -0.0282 103DOPE H7X13254 3.534 6.133 3.555 -1.0229 0.9026 -0.3657 103DOPE H7Y13255 3.379 6.066 3.523 -0.0353 0.5860 0.5218 103DOPE C3813256 3.494 5.982 3.699 -0.1706 -0.0991 -0.1533 103DOPE H8X13257 3.599 5.955 3.721 0.1784 1.6802 0.5016 103DOPE H8Y13258 3.470 6.070 3.762 0.0643 0.0537 -0.2784 103DOPE C3913259 3.403 5.864 3.718 -0.3555 0.0728 0.0528 103DOPE H9X13260 3.426 5.778 3.653 3.4384 -0.1250 1.4526 103DOPE C31013261 3.313 5.852 3.817 0.1813 -0.2127 0.5085 103DOPE H10X13262 3.244 5.767 3.815 -1.6353 1.1982 -1.1715 103DOPE C31113263 3.295 5.952 3.927 0.1196 0.4456 -0.0899 103DOPE H11X13264 3.389 6.002 3.959 -0.0741 0.5583 0.3116 103DOPE H11Y13265 3.243 6.045 3.895 -0.5468 0.3414 0.6403 103DOPE C31213266 3.232 5.880 4.047 0.0887 0.0189 -0.3615 103DOPE H12X13267 3.281 5.782 4.063 -0.7043 -0.0627 1.9461 103DOPE H12Y13268 3.126 5.856 4.025 0.1972 0.0103 -0.9064 103DOPE C31313269 3.239 5.953 4.181 0.0330 -0.6326 0.0015 103DOPE H13X13270 3.341 5.993 4.203 -0.5753 0.0138 1.8047 103DOPE H13Y13271 3.171 6.041 4.188 -1.0359 -1.5551 2.2716 103DOPE C31413272 3.201 5.867 4.301 0.0556 0.0403 0.4962 103DOPE H14X13273 3.094 5.838 4.298 -0.1893 1.0143 -1.0488 103DOPE H14Y13274 3.215 5.921 4.397 -3.7830 2.5894 -0.1616 103DOPE C31513275 3.290 5.743 4.310 -0.3806 -0.3082 0.0050 103DOPE H15X13276 3.393 5.772 4.280 -0.6975 -1.2618 -2.2806 103DOPE H15Y13277 3.261 5.659 4.242 1.1779 -2.7475 2.1568 103DOPE C31613278 3.284 5.682 4.450 0.8278 0.1055 0.2400 103DOPE H16X13279 3.181 5.658 4.484 0.4884 0.4311 -0.5458 103DOPE H16Y13280 3.337 5.586 4.431 2.1247 0.8522 -0.0704 103DOPE C31713281 3.341 5.768 4.563 0.2023 0.1166 0.5489 103DOPE H17X13282 3.428 5.821 4.517 0.1485 0.3627 0.7251 103DOPE H17Y13283 3.260 5.840 4.589 0.4194 0.3434 0.6136 103DOPE C31813284 3.393 5.703 4.691 0.0216 -0.1896 0.4660 103DOPE H18X13285 3.430 5.780 4.762 0.9519 -1.7510 1.7312 103DOPE H18Y13286 3.316 5.640 4.741 -0.1327 -0.2081 0.2106 103DOPE H18Z13287 3.483 5.645 4.661 0.8810 1.0870 0.4853 104DOPE N13288 2.691 3.105 2.172 0.1373 0.7160 0.4583 104DOPE HN113289 2.615 3.035 2.164 0.1207 0.8165 -0.3855 104DOPE HN213290 2.741 3.116 2.082 -0.5740 -1.9911 -0.3651 104DOPE HN313291 2.755 3.078 2.249 1.3358 -0.3833 -0.8708 104DOPE C1213292 2.642 3.245 2.203 -0.4874 0.6287 -0.1154 104DOPE H12A13293 2.567 3.234 2.284 2.3494 -1.8442 2.4277 104DOPE H12B13294 2.589 3.289 2.116 -3.8388 -1.5435 0.6469 104DOPE C1113295 2.756 3.333 2.255 0.2713 0.0257 -0.7250 104DOPE H11A13296 2.711 3.434 2.259 -3.2457 -1.4238 0.6752 104DOPE H11B13297 2.843 3.316 2.188 -1.2138 -0.2869 -2.6877 104DOPE P13298 2.898 3.367 2.459 -0.0235 0.1354 0.3448 104DOPE O1313299 2.857 3.509 2.464 -0.0511 0.1332 0.1784 104DOPE O1413300 3.027 3.353 2.388 -0.2072 0.1968 0.0026 104DOPE O1113301 2.911 3.302 2.605 -0.1146 -0.2198 0.1966 104DOPE O1213302 2.784 3.282 2.386 0.6454 0.1736 -0.7485 104DOPE C113303 2.916 3.161 2.630 -0.1708 -0.2100 0.2612 104DOPE HA13304 3.000 3.129 2.695 -0.5034 -0.7146 0.4444 104DOPE HB13305 2.928 3.112 2.531 0.7009 1.6804 -0.6194 104DOPE C213306 2.788 3.102 2.692 -0.2850 -0.0272 0.2021 104DOPE HS13307 2.716 3.083 2.610 -0.4671 -0.0654 0.3700 104DOPE O2113308 2.725 3.190 2.786 -0.1597 -0.0527 0.3104 104DOPE C2113309 2.633 3.273 2.735 0.1196 -0.0018 -0.1176 104DOPE O2213310 2.592 3.265 2.621 0.1207 -0.1127 -0.1105 104DOPE C2213311 2.588 3.366 2.847 0.2574 0.5025 -0.4762 104DOPE H2R13312 2.657 3.339 2.930 0.3941 -0.9336 -1.0231 104DOPE H2S13313 2.484 3.350 2.883 -0.3827 0.8763 -2.0601 104DOPE C313314 2.812 2.967 2.761 0.3058 0.0104 0.0761 104DOPE HX13315 2.861 2.905 2.683 -0.3074 -0.5811 0.1415 104DOPE HY13316 2.715 2.916 2.780 -0.7861 1.6198 -0.9225 104DOPE O3113317 2.894 2.961 2.878 -0.0744 0.1817 0.3546 104DOPE C3113318 2.830 2.981 2.993 -0.4387 -0.4410 0.2660 104DOPE O3213319 2.710 2.993 3.010 -0.3886 0.4250 0.0275 104DOPE C3213320 2.934 2.990 3.104 -0.1033 -0.7979 -0.0164 104DOPE H2X13321 3.023 2.932 3.073 0.9899 0.8176 -0.0011 104DOPE H2Y13322 2.961 3.097 3.117 -0.6535 -0.3948 -1.9566 104DOPE C2313323 2.610 3.514 2.817 0.6805 0.4547 -0.4083 104DOPE H3R13324 2.528 3.564 2.761 -0.5044 0.0100 0.8876 104DOPE H3S13325 2.708 3.525 2.765 1.5166 -0.1565 0.9965 104DOPE C2413326 2.617 3.597 2.945 -0.1838 0.1617 -0.1633 104DOPE H4R13327 2.552 3.554 3.024 0.7564 -2.9519 -0.9553 104DOPE H4S13328 2.605 3.703 2.912 0.0575 0.0772 -0.5330 104DOPE C2513329 2.758 3.593 3.003 -0.1850 0.1901 -0.1587 104DOPE H5R13330 2.827 3.636 2.927 -0.2311 -1.7271 -1.3332 104DOPE H5S13331 2.793 3.489 3.021 -2.4973 -0.2663 2.3954 104DOPE C2613332 2.788 3.673 3.131 0.9496 -0.5278 0.0417 104DOPE H6R13333 2.776 3.778 3.097 -2.3132 -0.2448 1.6166 104DOPE H6S13334 2.895 3.660 3.155 0.7587 -0.2065 1.1062 104DOPE C2713335 2.705 3.643 3.256 0.3389 0.5203 -0.1017 104DOPE H7R13336 2.727 3.549 3.310 0.5147 2.0602 2.7371 104DOPE H7S13337 2.597 3.649 3.233 -0.4317 -0.9001 2.6800 104DOPE C2813338 2.737 3.736 3.373 0.3355 0.4721 -0.0627 104DOPE H8R13339 2.715 3.836 3.329 -1.1967 0.1446 -0.0852 104DOPE H8S13340 2.847 3.731 3.392 0.7022 4.2463 -0.3687 104DOPE C2913341 2.645 3.724 3.491 0.1803 0.3146 -0.2004 104DOPE H9R13342 2.540 3.741 3.463 0.4513 1.1693 -0.7052 104DOPE C21013343 2.684 3.715 3.619 -0.3926 -0.9857 -0.1007 104DOPE H10R13344 2.616 3.704 3.705 -1.0892 0.8764 -0.3588 104DOPE C21113345 2.825 3.710 3.671 -0.3640 -0.0187 -0.0732 104DOPE H11R13346 2.882 3.804 3.653 1.1476 -1.0292 -0.7678 104DOPE H11S13347 2.884 3.636 3.613 0.8779 2.7300 -2.5833 104DOPE C21213348 2.841 3.678 3.820 0.3422 0.4603 -0.0395 104DOPE H12R13349 2.949 3.659 3.835 1.1384 3.1259 -1.6818 104DOPE H12S13350 2.780 3.590 3.851 -0.7766 1.6254 1.2051 104DOPE C21313351 2.798 3.795 3.909 -0.3943 -0.1059 0.3677 104DOPE H13R13352 2.698 3.829 3.875 -0.9074 -1.7474 0.1377 104DOPE H13S13353 2.878 3.870 3.890 1.4750 -2.3638 -1.4793 104DOPE C21413354 2.785 3.761 4.057 0.2301 -0.4706 0.3455 104DOPE H14R13355 2.887 3.741 4.097 0.8899 0.6727 -0.7085 104DOPE H14S13356 2.728 3.666 4.062 2.1056 -1.8262 -1.9389 104DOPE C21513357 2.713 3.878 4.126 -0.2944 -0.4521 -0.2286 104DOPE H15R13358 2.637 3.919 4.055 1.1834 -1.0883 -2.2983 104DOPE H15S13359 2.775 3.964 4.160 -0.2252 -1.3628 2.1188 104DOPE C21613360 2.644 3.838 4.256 -0.3110 0.4393 0.0396 104DOPE H16R13361 2.718 3.812 4.335 0.8550 0.8002 -0.8919 104DOPE H16S13362 2.570 3.756 4.248 0.8019 -0.5721 -0.1242 104DOPE C21713363 2.565 3.953 4.318 -0.1737 0.2492 0.5726 104DOPE H17R13364 2.644 4.028 4.339 -1.8143 1.2568 3.9260 104DOPE H17S13365 2.526 3.926 4.419 -1.8199 -2.2255 -0.6365 104DOPE C21813366 2.454 4.003 4.226 0.2338 0.0523 -0.0301 104DOPE H18R13367 2.490 4.086 4.161 -0.4020 -1.0958 -1.9275 104DOPE H18S13368 2.366 4.043 4.283 0.9813 2.1815 -0.2905 104DOPE H18T13369 2.420 3.921 4.159 -1.8385 1.0301 -0.2738 104DOPE C3313370 2.890 2.932 3.239 0.3520 -0.7193 0.1699 104DOPE H3X13371 2.862 2.824 3.230 -0.1602 -0.5877 0.1430 104DOPE H3Y13372 2.802 2.990 3.276 -0.2981 -0.1495 -2.1070 104DOPE C3413373 2.993 2.942 3.351 -0.0200 0.3439 0.4299 104DOPE H4X13374 3.084 2.889 3.314 -0.9165 -0.2460 -1.0094 104DOPE H4Y13375 3.018 3.048 3.371 -1.1758 0.6200 0.4488 104DOPE C3513376 2.947 2.872 3.479 -0.4794 0.2975 0.2396 104DOPE H5X13377 2.915 2.769 3.451 -0.3440 0.2496 0.2596 104DOPE H5Y13378 2.854 2.912 3.525 1.6559 2.3415 3.0527 104DOPE C3613379 3.050 2.886 3.591 -0.2000 -0.2901 0.0571 104DOPE H6X13380 3.012 2.836 3.682 -0.7037 2.0142 1.1792 104DOPE H6Y13381 3.134 2.830 3.544 -2.0605 -2.6750 -0.6200 104DOPE C3713382 3.109 3.023 3.625 -0.1234 -0.3390 0.1213 104DOPE H7X13383 3.158 3.077 3.542 0.1185 -0.6980 0.0294 104DOPE H7Y13384 3.020 3.086 3.647 1.4057 0.9746 3.2238 104DOPE C3813385 3.209 3.014 3.740 0.3939 -0.5470 -0.3416 104DOPE H8X13386 3.146 2.981 3.825 -0.1968 0.4149 -0.3908 104DOPE H8Y13387 3.277 2.933 3.706 0.1596 -0.5287 -0.8651 104DOPE C3913388 3.277 3.144 3.771 -0.2194 -0.1907 -0.4798 104DOPE H9X13389 3.269 3.234 3.708 1.8002 2.3428 2.5078 104DOPE C31013390 3.358 3.150 3.878 -0.0814 -0.6408 -0.5576 104DOPE H10X13391 3.394 3.252 3.901 -2.3905 0.0107 0.4658 104DOPE C31113392 3.382 3.045 3.983 -0.6004 0.0152 0.2350 104DOPE H11X13393 3.327 2.952 3.957 0.0470 -0.1768 -0.4776 104DOPE H11Y13394 3.493 3.032 3.978 -0.7296 -0.6675 -2.6723 104DOPE C31213395 3.343 3.104 4.119 -0.3685 -0.1744 0.3842 104DOPE H12X13396 3.336 3.010 4.178 1.8200 -1.0637 -0.6443 104DOPE H12Y13397 3.241 3.147 4.125 0.1886 0.9983 2.2722 104DOPE C31313398 3.444 3.204 4.175 -0.5024 0.2786 -0.1667 104DOPE H13X13399 3.460 3.290 4.108 2.6572 0.5351 0.7465 104DOPE H13Y13400 3.405 3.243 4.272 -1.3725 -1.2536 0.1316 104DOPE C31413401 3.581 3.149 4.218 -0.2901 0.3359 -0.7668 104DOPE H14X13402 3.632 3.107 4.128 -2.0741 -2.3395 -0.6310 104DOPE H14Y13403 3.553 3.064 4.283 -2.0123 3.3053 2.7353 104DOPE C31513404 3.675 3.246 4.290 0.0428 -0.3945 -0.2051 104DOPE H15X13405 3.678 3.332 4.219 -0.6087 0.0698 0.3141 104DOPE H15Y13406 3.628 3.279 4.386 0.8976 -0.5185 0.2619 104DOPE C31613407 3.821 3.204 4.305 0.3115 0.4680 -0.3284 104DOPE H16X13408 3.833 3.120 4.378 0.9770 0.8793 0.0495 104DOPE H16Y13409 3.855 3.162 4.208 -0.0475 -2.3697 0.6678 104DOPE C31713410 3.919 3.316 4.340 -0.0669 0.7200 -0.0667 104DOPE H17X13411 3.896 3.401 4.271 0.9779 1.2497 0.2090 104DOPE H17Y13412 3.913 3.347 4.446 -1.4053 0.1960 0.0242 104DOPE C31813413 4.065 3.281 4.312 -0.2526 0.1625 -0.3534 104DOPE H18X13414 4.114 3.380 4.323 0.3547 -0.1960 0.2490 104DOPE H18Y13415 4.115 3.211 4.382 -0.2911 1.0758 0.6158 104DOPE H18Z13416 4.093 3.244 4.211 0.5131 2.1807 -0.9378 105DOPE N13417 1.891 3.917 2.018 0.2450 0.3109 -0.0396 105DOPE HN113418 1.788 3.911 2.033 0.3779 1.9144 1.9753 105DOPE HN213419 1.922 3.923 1.919 -0.3194 1.0161 -0.1802 105DOPE HN313420 1.939 3.829 2.047 1.1326 -0.0853 -2.4641 105DOPE C1213421 1.943 4.031 2.103 -0.0254 0.3902 0.0190 105DOPE H12A13422 1.898 4.018 2.204 -2.3495 -0.0098 -0.9960 105DOPE H12B13423 1.895 4.123 2.063 0.1211 1.2227 1.7000 105DOPE C1113424 2.095 4.043 2.097 -0.0481 0.5523 -0.2714 105DOPE H11A13425 2.126 4.128 2.161 -1.3527 0.4163 0.5791 105DOPE H11B13426 2.142 4.063 1.998 2.2922 0.7236 0.7925 105DOPE P13427 2.304 3.921 2.153 -0.4821 -0.2653 0.4661 105DOPE O1313428 2.352 3.919 2.014 -0.0753 0.1301 0.5969 105DOPE O1413429 2.359 4.031 2.236 0.2630 -0.2310 -0.0586 105DOPE O1113430 2.350 3.782 2.216 -0.0065 -0.2436 0.1726 105DOPE O1213431 2.144 3.921 2.154 -0.4903 0.4967 -0.0023 105DOPE C113432 2.255 3.685 2.262 0.1187 -0.1846 0.5607 105DOPE HA13433 2.308 3.590 2.285 0.6274 -0.2735 -0.9080 105DOPE HB13434 2.186 3.660 2.179 -0.0031 -0.1426 0.6493 105DOPE C213435 2.180 3.717 2.392 -0.6854 0.4133 -0.0406 105DOPE HS13436 2.096 3.784 2.362 -0.9354 0.2024 0.1774 105DOPE O2113437 2.260 3.799 2.478 0.2795 -0.1606 -0.3817 105DOPE C2113438 2.376 3.748 2.518 -0.0744 -0.5370 0.1707 105DOPE O2213439 2.417 3.635 2.498 0.8172 -0.3421 0.8209 105DOPE C2213440 2.448 3.853 2.602 -0.0068 -0.1999 -0.3043 105DOPE H2R13441 2.446 3.950 2.549 -0.0466 -0.1229 -0.1639 105DOPE H2S13442 2.550 3.815 2.621 0.0652 -0.8398 -1.8396 105DOPE C313443 2.115 3.596 2.462 0.6779 -0.4582 -0.2531 105DOPE HX13444 2.185 3.516 2.494 0.9281 -0.3832 -0.6089 105DOPE HY13445 2.042 3.545 2.396 1.1990 -1.5157 -0.0417 105DOPE O3113446 2.053 3.637 2.584 0.3057 -0.1203 -0.5516 105DOPE C3113447 1.944 3.712 2.574 0.4550 0.2320 0.4082 105DOPE O3213448 1.898 3.759 2.471 0.1914 0.5389 0.6598 105DOPE C3213449 1.872 3.724 2.708 -0.2237 -0.3577 0.1031 105DOPE H2X13450 1.788 3.793 2.687 2.0894 2.6221 0.0134 105DOPE H2Y13451 1.843 3.622 2.743 -1.3263 -0.2267 -0.3967 105DOPE C2313452 2.375 3.862 2.737 0.1298 0.4423 -0.2713 105DOPE H3R13453 2.268 3.887 2.718 -1.1814 -3.1312 1.5022 105DOPE H3S13454 2.382 3.759 2.779 -0.6424 -0.7837 -2.9255 105DOPE C2413455 2.436 3.971 2.825 -0.0639 0.2341 0.1215 105DOPE H4R13456 2.394 4.067 2.790 -0.3275 0.5645 1.2966 105DOPE H4S13457 2.547 3.976 2.814 -0.0147 -1.3520 -0.3310 105DOPE C2513458 2.393 3.948 2.970 -0.6461 -0.2482 -0.1215 105DOPE H5R13459 2.441 3.858 3.015 -0.6108 0.5483 1.5230 105DOPE H5S13460 2.287 3.916 2.962 0.3500 -4.0251 -0.2512 105DOPE C2613461 2.422 4.063 3.067 -0.2738 -0.1133 -0.3890 105DOPE H6R13462 2.385 4.155 3.018 -1.6663 -0.5228 -0.1499 105DOPE H6S13463 2.529 4.082 3.089 -0.1723 0.8895 -1.6061 105DOPE C2713464 2.338 4.051 3.194 0.2822 -0.0403 -0.0138 105DOPE H7R13465 2.255 3.980 3.172 -0.3205 0.8966 -0.8014 105DOPE H7S13466 2.289 4.148 3.214 0.0073 0.3113 -2.2448 105DOPE C2813467 2.431 4.009 3.308 -0.1115 0.0910 0.3590 105DOPE H8R13468 2.487 3.920 3.271 -1.1904 0.8100 -3.3779 105DOPE H8S13469 2.360 3.980 3.389 -2.0749 -0.1154 -1.3731 105DOPE C2913470 2.519 4.122 3.354 0.0574 0.0990 0.0226 105DOPE H9R13471 2.565 4.186 3.277 2.8615 -2.5912 -0.7086 105DOPE C21013472 2.552 4.153 3.480 0.5415 0.0531 -0.0946 105DOPE H10R13473 2.614 4.243 3.485 0.1592 0.2803 0.9867 105DOPE C21113474 2.543 4.069 3.605 -0.5679 0.4523 0.0982 105DOPE H11R13475 2.645 4.041 3.639 -1.2425 -0.8939 1.0954 105DOPE H11S13476 2.485 3.975 3.592 -2.5352 1.2876 2.1908 105DOPE C21213477 2.478 4.154 3.714 -1.0893 0.3685 -0.1426 105DOPE H12R13478 2.384 4.202 3.680 0.4364 3.5944 -0.2242 105DOPE H12S13479 2.548 4.236 3.741 -1.2425 -0.0201 1.5370 105DOPE C21313480 2.449 4.080 3.845 -0.2365 -0.1335 -0.2288 105DOPE H13R13481 2.388 4.149 3.909 0.3664 0.8009 -0.6389 105DOPE H13S13482 2.548 4.062 3.892 -0.0606 -0.3210 -0.6669 105DOPE C21413483 2.375 3.946 3.841 0.2267 -0.3833 -0.3900 105DOPE H14R13484 2.384 3.908 3.945 -1.7992 -0.0157 -0.0516 105DOPE H14S13485 2.431 3.876 3.775 -1.8531 -1.3832 -1.1765 105DOPE C21513486 2.232 3.948 3.788 0.0969 0.1351 -0.0234 105DOPE H15R13487 2.239 3.961 3.678 0.6453 -3.0601 -0.4480 105DOPE H15S13488 2.190 3.847 3.807 0.0167 0.3660 1.0964 105DOPE C21613489 2.137 4.049 3.854 -0.0368 -0.0025 -0.0035 105DOPE H16R13490 2.193 4.145 3.860 1.5620 -0.7427 -1.8080 105DOPE H16S13491 2.126 4.025 3.961 -0.4651 1.4713 0.3060 105DOPE C21713492 2.000 4.057 3.787 -0.0761 0.0820 0.0883 105DOPE H17R13493 1.955 3.956 3.780 -1.3154 0.4490 1.9106 105DOPE H17S13494 2.006 4.095 3.683 -1.8332 2.8723 0.8901 105DOPE C21813495 1.898 4.146 3.857 -0.0161 0.3756 -0.1919 105DOPE H18R13496 1.935 4.251 3.853 -1.8106 1.0520 -0.1929 105DOPE H18S13497 1.890 4.110 3.962 0.9175 -3.3243 -1.2446 105DOPE H18T13498 1.794 4.153 3.817 -0.1789 -2.9506 -0.5792 105DOPE C3313499 1.960 3.804 2.805 -0.6852 0.3291 -0.0407 105DOPE H3X13500 1.981 3.909 2.776 -1.1105 0.2644 -0.6152 105DOPE H3Y13501 2.055 3.746 2.807 -0.8926 0.0045 0.8668 105DOPE C3413502 1.911 3.808 2.949 0.4105 -0.5208 0.3691 105DOPE H4X13503 1.819 3.871 2.954 0.3918 -0.5357 0.2142 105DOPE H4Y13504 1.888 3.702 2.976 -0.3761 -0.4888 -0.1575 105DOPE C3513505 2.005 3.884 3.043 0.1997 0.1037 0.0760 105DOPE H5X13506 2.032 3.984 3.003 -0.2696 -0.4490 -1.7118 105DOPE H5Y13507 2.101 3.829 3.051 0.7152 0.6621 -1.8107 105DOPE C3613508 1.939 3.903 3.180 -0.9524 0.1418 -0.4652 105DOPE H6X13509 1.987 3.984 3.240 0.1440 0.8417 -2.2064 105DOPE H6Y13510 1.835 3.933 3.158 -0.5826 0.5767 -1.7032 105DOPE C3713511 1.936 3.778 3.268 -0.2085 0.5304 0.1276 105DOPE H7X13512 1.892 3.694 3.211 -0.3903 -0.5627 1.8003 105DOPE H7Y13513 2.041 3.760 3.299 0.9462 2.3744 -2.3453 105DOPE C3813514 1.865 3.803 3.401 0.7701 0.0682 0.7461 105DOPE H8X13515 1.917 3.887 3.451 0.8622 -0.3239 1.3300 105DOPE H8Y13516 1.759 3.819 3.375 0.6701 0.8028 1.5468 105DOPE C3913517 1.845 3.678 3.482 -0.6157 -0.2792 -0.1101 105DOPE H9X13518 1.873 3.577 3.446 -0.1581 -0.9537 2.0076 105DOPE C31013519 1.777 3.676 3.598 -0.3620 -0.5479 0.0366 105DOPE H10X13520 1.775 3.584 3.657 -1.2696 0.1023 1.0614 105DOPE C31113521 1.715 3.796 3.663 0.5497 -0.1115 0.1193 105DOPE H11X13522 1.610 3.795 3.628 0.7738 2.0839 -0.7862 105DOPE H11Y13523 1.759 3.895 3.637 0.9318 -0.5049 -0.7694 105DOPE C31213524 1.715 3.782 3.816 -0.0028 0.2274 0.1512 105DOPE H12X13525 1.822 3.771 3.843 0.4630 -0.8359 -1.9182 105DOPE H12Y13526 1.666 3.684 3.832 0.5312 0.3567 3.1805 105DOPE C31313527 1.641 3.894 3.890 0.5416 0.5945 0.1398 105DOPE H13X13528 1.697 3.983 3.854 -1.7293 1.5649 -1.2002 105DOPE H13Y13529 1.536 3.901 3.855 -0.6933 -0.9499 3.1672 105DOPE C31413530 1.649 3.899 4.043 -0.3662 0.0442 0.2104 105DOPE H14X13531 1.753 3.901 4.082 -0.1931 -0.5219 -0.2079 105DOPE H14Y13532 1.598 3.817 4.097 -0.0175 0.3287 0.9822 105DOPE C31513533 1.600 4.035 4.092 -0.5923 0.0252 0.0395 105DOPE H15X13534 1.666 4.107 4.040 -0.0191 -0.8584 -0.4926 105DOPE H15Y13535 1.495 4.053 4.062 -0.7485 -1.8558 -0.6489 105DOPE C31613536 1.603 4.046 4.245 0.1104 0.2956 0.0094 105DOPE H16X13537 1.579 4.151 4.274 0.9111 0.5785 -0.3136 105DOPE H16Y13538 1.533 3.970 4.286 0.5106 -0.6181 -0.9451 105DOPE C31713539 1.731 4.019 4.324 -0.3150 -0.5258 0.4226 105DOPE H17X13540 1.799 4.094 4.280 -1.4785 0.7207 0.6943 105DOPE H17Y13541 1.766 3.915 4.303 1.6975 0.0092 0.9746 105DOPE C31813542 1.718 4.040 4.475 0.2706 -0.2418 0.4364 105DOPE H18X13543 1.631 3.982 4.513 0.2819 -0.9471 -0.5634 105DOPE H18Y13544 1.811 4.003 4.523 1.4985 0.1140 -1.5748 105DOPE H18Z13545 1.697 4.146 4.502 0.9543 -0.5148 2.1919 106DOPE N13546 5.109 0.479 2.458 -0.3472 0.1345 0.2307 106DOPE HN113547 5.133 0.476 2.357 -0.3972 0.9640 0.1817 106DOPE HN213548 5.163 0.406 2.509 0.4410 1.1852 0.9533 106DOPE HN313549 5.008 0.453 2.462 0.0205 -1.8905 -1.7033 106DOPE C1213550 5.127 0.617 2.518 0.0092 0.2992 -0.2492 106DOPE H12A13551 5.119 0.595 2.627 0.0905 -0.5133 -0.3949 106DOPE H12B13552 5.046 0.682 2.479 -0.5364 0.8890 1.7722 106DOPE C1113553 5.264 0.681 2.494 0.1310 0.1193 -0.0466 106DOPE H11A13554 5.264 0.782 2.541 1.9084 0.2917 -0.3541 106DOPE H11B13555 5.284 0.694 2.385 1.9942 1.4792 0.4083 106DOPE P13556 5.516 0.617 2.506 -0.1899 0.2631 -0.3918 106DOPE O1313557 5.551 0.760 2.507 0.5610 0.0856 0.2947 106DOPE O1413558 5.525 0.539 2.380 0.6955 -0.1626 -0.0727 106DOPE O1113559 5.606 0.535 2.610 -0.2729 0.4293 -0.1864 106DOPE O1213560 5.366 0.606 2.560 0.0653 0.3813 0.3567 106DOPE C113561 5.549 0.419 2.672 0.0237 0.1025 -0.5171 106DOPE HA13562 5.635 0.353 2.697 0.1901 -0.1560 -1.6786 106DOPE HB13563 5.494 0.359 2.597 -0.1230 -1.4448 0.7837 106DOPE C213564 5.466 0.440 2.799 0.2263 -0.0968 -0.3520 106DOPE HS13565 5.379 0.501 2.767 -0.1077 -0.1566 0.4193 106DOPE O2113566 5.549 0.514 2.889 -0.0057 -0.1872 -0.0619 106DOPE C2113567 5.475 0.569 2.986 -0.3780 -0.4575 -0.1880 106DOPE O2213568 5.354 0.562 2.995 -0.4762 0.3157 -0.8724 106DOPE C2213569 5.557 0.647 3.088 -0.0877 -0.1117 -0.6812 106DOPE H2R13570 5.644 0.586 3.124 0.1139 1.0397 0.8641 106DOPE H2S13571 5.496 0.682 3.174 0.1719 0.6164 -0.7870 106DOPE C313572 5.428 0.301 2.854 0.1665 0.0629 0.0123 106DOPE HX13573 5.369 0.247 2.777 -1.6695 1.2632 0.4985 106DOPE HY13574 5.368 0.324 2.945 -1.1637 -0.5614 -0.6767 106DOPE O3113575 5.536 0.212 2.881 0.2794 0.2295 0.1104 106DOPE C3113576 5.599 0.231 2.997 -0.0673 -0.6187 0.4420 106DOPE O3213577 5.557 0.300 3.088 -0.1362 -0.2456 0.1280 106DOPE C3213578 5.727 0.147 2.994 0.5958 0.4027 -1.1205 106DOPE H2X13579 5.708 0.045 3.035 -1.0883 0.2526 -2.1675 106DOPE H2Y13580 5.767 0.137 2.891 2.1389 0.0272 -0.5147 106DOPE C2313581 5.629 0.760 3.015 0.1184 0.0748 -0.1961 106DOPE H3R13582 5.557 0.819 2.953 -0.9057 0.8372 1.6424 106DOPE H3S13583 5.715 0.731 2.951 0.0390 1.4321 -0.9605 106DOPE C2413584 5.685 0.862 3.114 -0.1496 -0.1183 0.1567 106DOPE H4R13585 5.762 0.805 3.170 1.9759 0.3328 -2.1211 106DOPE H4S13586 5.604 0.896 3.182 0.5244 0.2836 0.7683 106DOPE C2513587 5.744 0.989 3.052 0.0836 -0.2297 0.1519 106DOPE H5R13588 5.666 1.035 2.988 -2.0573 0.1749 2.8622 106DOPE H5S13589 5.829 0.954 2.989 0.1888 0.8196 -0.3151 106DOPE C2613590 5.804 1.095 3.144 0.2642 -0.2506 0.0597 106DOPE H6R13591 5.856 1.167 3.078 -2.4688 0.9000 -0.9570 106DOPE H6S13592 5.862 1.040 3.222 1.1955 0.4240 -0.1395 106DOPE C2713593 5.696 1.171 3.221 0.3584 0.0435 -0.0973 106DOPE H7R13594 5.645 1.105 3.294 -0.6618 0.1400 -0.6985 106DOPE H7S13595 5.625 1.209 3.145 -1.0855 -0.3258 1.0246 106DOPE C2813596 5.748 1.296 3.293 0.3960 -0.1223 0.1655 106DOPE H8R13597 5.800 1.366 3.224 -1.6008 1.5760 0.2909 106DOPE H8S13598 5.830 1.270 3.363 0.2064 -0.5460 0.2360 106DOPE C2913599 5.638 1.374 3.360 0.1511 -0.3528 0.0347 106DOPE H9R13600 5.564 1.420 3.293 0.2988 -0.2324 -0.0481 106DOPE C21013601 5.621 1.383 3.492 0.6989 -0.7002 0.1333 106DOPE H10R13602 5.524 1.427 3.520 0.0478 -1.8279 -0.2584 106DOPE C21113603 5.711 1.313 3.591 0.7821 -0.5934 0.1332 106DOPE H11R13604 5.814 1.325 3.552 -0.2682 -0.9494 -3.0776 106DOPE H11S13605 5.687 1.205 3.596 2.7371 -1.1573 -1.5609 106DOPE C21213606 5.682 1.365 3.732 -0.2525 -0.1365 -0.2312 106DOPE H12R13607 5.577 1.348 3.763 0.1007 -2.2509 0.0005 106DOPE H12S13608 5.693 1.475 3.734 0.2500 -0.1863 -0.0945 106DOPE C21313609 5.790 1.305 3.823 -0.6121 -0.3119 0.0813 106DOPE H13R13610 5.889 1.284 3.778 -1.0038 -1.1606 -0.4010 106DOPE H13S13611 5.754 1.201 3.838 -1.0116 -0.2518 -0.4095 106DOPE C21413612 5.798 1.379 3.957 0.0999 -0.5190 0.1563 106DOPE H14R13613 5.698 1.419 3.985 -0.0285 -0.4112 -0.4344 106DOPE H14S13614 5.873 1.460 3.948 -1.2061 0.5549 -1.7518 106DOPE C21513615 5.835 1.277 4.065 -0.1250 -0.3962 0.3499 106DOPE H15R13616 5.922 1.214 4.036 1.0333 2.2890 -2.5229 106DOPE H15S13617 5.746 1.212 4.073 -0.3086 -0.1488 0.3369 106DOPE C21613618 5.872 1.348 4.196 -0.2111 0.2765 0.0145 106DOPE H16R13619 5.966 1.401 4.172 -0.2331 -1.1567 -4.0356 106DOPE H16S13620 5.899 1.262 4.261 0.3679 0.0265 -0.5466 106DOPE C21713621 5.761 1.426 4.267 -0.3374 -0.0666 0.1984 106DOPE H17R13622 5.679 1.352 4.272 0.4807 -0.9363 0.9436 106DOPE H17S13623 5.738 1.515 4.204 0.5484 -0.3987 -0.6137 106DOPE C21813624 5.772 1.468 4.414 -0.0685 0.0465 0.1455 106DOPE H18R13625 5.687 1.525 4.456 0.8725 0.7135 1.2096 106DOPE H18S13626 5.863 1.531 4.420 1.4393 -2.0726 0.9105 106DOPE H18T13627 5.796 1.376 4.472 2.5090 -1.0354 -2.3486 106DOPE C3313628 5.835 0.210 3.082 0.0123 -0.2261 0.0775 106DOPE H3X13629 5.839 0.319 3.062 -1.3210 -0.3625 -1.0855 106DOPE H3Y13630 5.931 0.160 3.057 -0.0403 -1.4684 2.1476 106DOPE C3413631 5.817 0.172 3.229 0.0574 0.0062 0.1433 106DOPE H4X13632 5.779 0.069 3.246 -4.2824 1.4968 0.7947 106DOPE H4Y13633 5.739 0.241 3.271 1.2359 1.4999 -0.0348 106DOPE C3513634 5.939 0.191 3.320 0.1660 -0.0915 0.0171 106DOPE H5X13635 5.969 0.296 3.305 1.9724 -0.7179 -1.1429 106DOPE H5Y13636 6.023 0.133 3.275 0.3503 -0.7569 1.1920 106DOPE C3613637 5.922 0.152 3.467 0.0708 -0.9113 -0.2062 106DOPE H6X13638 6.017 0.179 3.517 -0.9987 2.5184 0.2067 106DOPE H6Y13639 5.894 0.045 3.479 -2.4952 -0.4853 -1.6330 106DOPE C3713640 5.811 0.232 3.534 0.3159 -0.5071 -0.2804 106DOPE H7X13641 5.712 0.210 3.487 -0.3538 0.5334 0.5972 106DOPE H7Y13642 5.803 0.213 3.643 0.5523 -1.5687 -0.4407 106DOPE C3813643 5.818 0.385 3.528 -0.0943 -0.4561 0.3928 106DOPE H8X13644 5.922 0.413 3.554 0.0571 -0.2154 -0.4341 106DOPE H8Y13645 5.806 0.427 3.425 -0.4596 0.8366 0.9458 106DOPE C3913646 5.724 0.456 3.620 0.2627 0.6971 -0.1027 106DOPE H9X13647 5.768 0.457 3.721 0.6113 0.6262 -0.2523 106DOPE C31013648 5.606 0.511 3.590 -0.1028 -0.0492 -0.0820 106DOPE H10X13649 5.550 0.546 3.678 2.0300 -0.6563 1.5771 106DOPE C31113650 5.526 0.494 3.464 -0.1430 0.1774 -0.0876 106DOPE H11X13651 5.560 0.405 3.408 -0.3258 -1.2034 1.9112 106DOPE H11Y13652 5.529 0.590 3.408 3.1421 0.4732 0.4036 106DOPE C31213653 5.377 0.471 3.492 -0.1782 -0.0047 -0.4151 106DOPE H12X13654 5.332 0.554 3.552 1.7055 -0.0758 1.2086 106DOPE H12Y13655 5.351 0.377 3.544 -1.0422 0.0913 -0.6600 106DOPE C31313656 5.293 0.469 3.364 -0.2369 0.2537 -0.3817 106DOPE H13X13657 5.303 0.564 3.308 -0.2913 1.0795 0.9629 106DOPE H13Y13658 5.337 0.383 3.309 -1.9179 0.3647 -2.0091 106DOPE C31413659 5.150 0.418 3.383 -0.1569 0.2278 0.1677 106DOPE H14X13660 5.108 0.477 3.468 1.4517 1.2120 0.3196 106DOPE H14Y13661 5.147 0.314 3.423 -1.1251 -0.2174 -1.0016 106DOPE C31513662 5.073 0.414 3.251 -0.2436 0.6248 0.2052 106DOPE H15X13663 5.141 0.351 3.189 -0.6008 0.1449 0.2972 106DOPE H15Y13664 5.064 0.514 3.204 0.4387 0.6325 0.0762 106DOPE C31613665 4.929 0.364 3.258 -0.1412 0.3872 0.6423 106DOPE H16X13666 4.893 0.369 3.153 -0.4410 1.3098 0.7837 106DOPE H16Y13667 4.930 0.256 3.286 0.0568 0.3742 0.5828 106DOPE C31713668 4.843 0.451 3.350 -0.6652 0.2739 0.2636 106DOPE H17X13669 4.741 0.408 3.353 -0.2552 -0.7966 -0.5199 106DOPE H17Y13670 4.877 0.436 3.455 0.0903 -1.3300 -0.1872 106DOPE C31813671 4.842 0.599 3.312 0.2745 0.2893 0.2677 106DOPE H18X13672 4.761 0.653 3.366 -0.7203 -1.0998 0.2314 106DOPE H18Y13673 4.940 0.649 3.325 0.1615 1.3908 -2.4448 106DOPE H18Z13674 4.830 0.616 3.203 0.3744 -0.9274 0.0495 107DOPE N13675 4.631 1.022 2.478 0.0286 0.0851 -0.2521 107DOPE HN113676 4.656 1.120 2.503 -1.1789 0.0514 1.2796 107DOPE HN213677 4.674 0.997 2.387 -2.5799 1.9463 -2.1640 107DOPE HN313678 4.528 1.021 2.463 -0.1732 -1.0494 1.0063 107DOPE C1213679 4.675 0.936 2.594 -0.2499 0.0792 -0.1495 107DOPE H12A13680 4.624 0.964 2.688 0.2767 0.3449 0.0608 107DOPE H12B13681 4.784 0.939 2.614 -0.6313 0.2683 2.1123 107DOPE C1113682 4.651 0.787 2.565 0.2080 0.0775 -0.5281 107DOPE H11A13683 4.642 0.741 2.666 1.0811 2.4959 0.7504 107DOPE H11B13684 4.748 0.756 2.521 0.7485 2.7655 -1.4138 107DOPE P13685 4.512 0.615 2.449 0.1885 -0.3335 0.1818 107DOPE O1313686 4.638 0.560 2.394 0.2788 0.0389 0.0116 107DOPE O1413687 4.400 0.601 2.352 0.4090 0.3701 -0.1848 107DOPE O1113688 4.484 0.547 2.591 0.3306 0.4730 0.6033 107DOPE O1213689 4.536 0.770 2.483 0.0012 -0.2228 -0.1749 107DOPE C113690 4.351 0.513 2.629 0.3702 -0.0765 0.2606 107DOPE HA13691 4.367 0.459 2.725 0.0299 -0.7719 -0.0630 107DOPE HB13692 4.306 0.439 2.559 0.8340 1.2145 -1.4509 107DOPE C213693 4.262 0.634 2.662 0.5664 0.0945 0.1574 107DOPE HS13694 4.253 0.678 2.560 1.0727 1.0548 0.5122 107DOPE O2113695 4.341 0.718 2.747 0.2866 0.4782 0.0424 107DOPE C2113696 4.292 0.842 2.750 0.0251 0.3895 -0.4415 107DOPE O2213697 4.212 0.889 2.672 -0.3802 -0.0881 -0.3223 107DOPE C2213698 4.378 0.915 2.853 -0.3589 -0.0233 0.1823 107DOPE H2R13699 4.483 0.886 2.832 -0.9582 -1.4146 -1.1117 107DOPE H2S13700 4.343 0.896 2.956 -0.4324 1.1347 0.3859 107DOPE C313701 4.123 0.603 2.718 0.4211 -0.2561 -0.3971 107DOPE HX13702 4.064 0.554 2.637 1.0677 0.9099 -1.6327 107DOPE HY13703 4.065 0.697 2.730 -0.8800 -1.2688 1.8186 107DOPE O3113704 4.120 0.519 2.833 -0.2558 0.3009 0.0048 107DOPE C3113705 4.122 0.581 2.951 -0.1137 0.4322 -0.0656 107DOPE O3213706 4.140 0.700 2.968 0.0353 0.3860 0.1110 107DOPE C3213707 4.108 0.475 3.060 -0.1205 0.3758 -0.1214 107DOPE H2X13708 4.054 0.384 3.025 -2.1920 0.9716 1.3672 107DOPE H2Y13709 4.206 0.440 3.100 -1.0682 -1.1303 0.9777 107DOPE C2313710 4.351 1.065 2.846 -0.5474 -0.0599 0.1298 107DOPE H3R13711 4.241 1.080 2.856 -1.1745 -3.4301 -0.6441 107DOPE H3S13712 4.386 1.098 2.746 -3.0952 -0.6878 -1.0591 107DOPE C2413713 4.425 1.141 2.956 -0.1421 -0.3817 0.0785 107DOPE H4R13714 4.532 1.113 2.946 0.3352 1.5848 -0.7832 107DOPE H4S13715 4.397 1.110 3.059 0.8034 -0.8221 0.2162 107DOPE C2513716 4.410 1.292 2.939 -0.2179 -0.4801 -0.7791 107DOPE H5R13717 4.444 1.317 2.836 -1.2768 -0.4124 -1.1139 107DOPE H5S13718 4.474 1.348 3.011 -0.4016 -1.7669 0.4370 107DOPE C2613719 4.266 1.342 2.946 0.0151 0.0946 0.1848 107DOPE H6R13720 4.211 1.329 3.041 0.2065 0.4995 0.3545 107DOPE H6S13721 4.213 1.292 2.862 -1.7647 -1.3261 2.0834 107DOPE C2713722 4.247 1.485 2.894 -0.1245 0.0812 0.1973 107DOPE H7R13723 4.249 1.475 2.783 1.7654 0.5944 0.1495 107DOPE H7S13724 4.326 1.557 2.927 0.1103 -0.8289 1.7266 107DOPE C2813725 4.109 1.542 2.927 -0.0168 0.7612 -0.4914 107DOPE H8R13726 4.111 1.644 2.883 -2.0467 1.1927 0.3289 107DOPE H8S13727 4.104 1.560 3.036 0.6423 -0.7547 -0.1750 107DOPE C2913728 3.987 1.469 2.879 0.1878 0.2007 -0.1745 107DOPE H9R13729 3.966 1.478 2.771 -1.3527 1.9530 0.2218 107DOPE C21013730 3.901 1.398 2.954 0.1480 0.1726 -0.2456 107DOPE H10R13731 3.826 1.341 2.897 -1.7275 1.4271 0.8627 107DOPE C21113732 3.910 1.367 3.100 -0.4473 -0.2592 -0.3004 107DOPE H11R13733 4.000 1.409 3.148 0.3082 -2.7288 0.5770 107DOPE H11S13734 3.933 1.260 3.122 -0.2399 -0.0812 0.3800 107DOPE C21213735 3.792 1.407 3.189 0.2826 0.3471 0.4100 107DOPE H12R13736 3.700 1.347 3.169 -1.6610 2.7909 1.3971 107DOPE H12S13737 3.753 1.505 3.157 -0.3097 -0.0261 -0.0307 107DOPE C21313738 3.826 1.412 3.338 0.2804 0.2564 0.4141 107DOPE H13R13739 3.736 1.430 3.400 0.0769 3.2336 -0.5680 107DOPE H13S13740 3.886 1.505 3.356 -0.8844 0.4373 4.1675 107DOPE C21413741 3.906 1.294 3.394 0.6808 0.3293 0.0014 107DOPE H14R13742 4.013 1.301 3.363 1.1354 1.8977 1.7436 107DOPE H14S13743 3.868 1.200 3.350 0.8079 0.9896 -1.5904 107DOPE C21513744 3.879 1.286 3.545 0.1241 -0.5442 -0.1415 107DOPE H15R13745 3.913 1.184 3.575 -0.1646 -0.2054 1.4081 107DOPE H15S13746 3.769 1.290 3.559 0.2712 -1.9488 1.8065 107DOPE C21613747 3.931 1.401 3.631 -0.0222 -0.2677 -0.4206 107DOPE H16R13748 3.875 1.396 3.727 2.6439 -0.3883 1.2402 107DOPE H16S13749 3.905 1.500 3.587 1.0697 0.4615 0.5114 107DOPE C21713750 4.076 1.384 3.677 -0.2058 -0.2201 0.1816 107DOPE H17R13751 4.133 1.385 3.582 -0.9627 2.4690 -0.3255 107DOPE H17S13752 4.084 1.279 3.712 0.2344 -0.4561 -0.6031 107DOPE C21813753 4.140 1.485 3.773 0.1370 0.3181 -0.6043 107DOPE H18R13754 4.249 1.464 3.787 -0.2193 -1.3328 0.0090 107DOPE H18S13755 4.098 1.466 3.874 1.6798 2.3612 0.4849 107DOPE H18T13756 4.139 1.590 3.738 1.5207 1.0380 1.3652 107DOPE C3313757 4.021 0.524 3.176 -0.7610 0.0288 -0.4516 107DOPE H3X13758 3.924 0.550 3.128 -0.3103 2.1383 -0.2921 107DOPE H3Y13759 4.067 0.611 3.226 1.1687 -1.7035 0.9543 107DOPE C3413760 3.996 0.408 3.272 0.0869 0.1527 -0.0772 107DOPE H4X13761 3.932 0.338 3.215 -0.9982 1.1150 -0.0691 107DOPE H4Y13762 4.096 0.361 3.283 -0.7680 -2.4566 -2.2432 107DOPE C3513763 3.941 0.455 3.407 -0.1161 0.1354 -0.1540 107DOPE H5X13764 3.996 0.545 3.441 0.0094 0.5008 -1.2739 107DOPE H5Y13765 3.834 0.481 3.391 0.2532 2.0118 0.2339 107DOPE C3613766 3.958 0.354 3.520 0.1437 0.1080 -0.2170 107DOPE H6X13767 3.913 0.258 3.487 -0.1341 -0.1287 0.8136 107DOPE H6Y13768 4.065 0.348 3.550 -0.0041 1.4615 0.6937 107DOPE C3713769 3.884 0.392 3.648 0.7796 -0.0013 0.1914 107DOPE H7X13770 3.932 0.479 3.699 -0.0033 0.8700 -0.5071 107DOPE H7Y13771 3.780 0.421 3.621 0.7452 0.3441 0.6762 107DOPE C3813772 3.860 0.280 3.750 -0.0000 -0.0322 -0.0215 107DOPE H8X13773 3.817 0.331 3.839 1.8932 2.7131 -0.5412 107DOPE H8Y13774 3.785 0.212 3.704 -1.4645 -0.9997 3.4513 107DOPE C3913775 3.990 0.218 3.789 0.0288 0.0480 0.0107 107DOPE H9X13776 4.061 0.288 3.836 -0.6550 1.4301 -0.9514 107DOPE C31013777 4.028 0.089 3.793 -0.4792 -0.0973 0.2581 107DOPE H10X13778 4.130 0.056 3.817 -0.2084 1.2504 1.0613 107DOPE C31113779 3.938 -0.022 3.748 0.1518 -0.3872 -0.3144 107DOPE H11X13780 3.913 -0.088 3.834 0.8166 -1.5558 -0.9879 107DOPE H11Y13781 3.839 0.013 3.711 -1.1630 -0.4479 2.8063 107DOPE C31213782 4.014 -0.106 3.645 0.0365 -0.2158 -0.5407 107DOPE H12X13783 4.110 -0.135 3.693 0.3316 1.4599 -0.0744 107DOPE H12Y13784 4.049 -0.034 3.568 2.1128 0.1543 0.6813 107DOPE C31313785 3.928 -0.219 3.588 -0.4273 -0.1320 -0.0220 107DOPE H13X13786 3.833 -0.172 3.557 -2.1703 -3.4474 -0.1985 107DOPE H13Y13787 3.898 -0.279 3.676 0.6171 1.6651 1.6171 107DOPE C31413788 4.004 -0.298 3.481 0.5677 0.2061 0.4221 107DOPE H14X13789 4.093 -0.352 3.520 0.9757 -0.2346 -1.0371 107DOPE H14Y13790 4.035 -0.227 3.402 -2.8420 2.0702 0.5703 107DOPE C31513791 3.924 -0.416 3.424 -0.3969 1.0326 0.0465 107DOPE H15X13792 3.982 -0.490 3.365 -0.2980 0.7175 0.5358 107DOPE H15Y13793 3.889 -0.470 3.515 0.7700 -1.6986 -1.0243 107DOPE C31613794 3.813 -0.360 3.335 -0.5360 0.5821 -0.0650 107DOPE H16X13795 3.751 -0.289 3.393 0.7245 -0.2959 2.4864 107DOPE H16Y13796 3.865 -0.310 3.250 -0.3802 -1.0046 -0.9386 107DOPE C31713797 3.720 -0.473 3.290 -0.2365 0.2688 0.1045 107DOPE H17X13798 3.796 -0.549 3.263 -0.8280 -0.0946 -0.5663 107DOPE H17Y13799 3.677 -0.439 3.194 2.2660 0.3943 -1.0541 107DOPE C31813800 3.617 -0.516 3.394 -0.3246 0.0681 -0.0645 107DOPE H18X13801 3.675 -0.530 3.488 -1.0581 0.1780 0.4128 107DOPE H18Y13802 3.552 -0.427 3.410 -1.6858 -0.8757 -0.1363 107DOPE H18Z13803 3.562 -0.611 3.375 0.8395 -1.0303 1.7257 108DOPE N13804 3.358 2.220 2.577 0.4207 -0.1188 0.3213 108DOPE HN113805 3.324 2.178 2.488 0.6708 -2.4169 1.2421 108DOPE HN213806 3.281 2.201 2.644 -0.2749 -2.3024 -0.9951 108DOPE HN313807 3.358 2.321 2.554 -0.2603 -0.1562 0.1437 108DOPE C1213808 3.491 2.168 2.626 0.5005 -0.0518 0.1764 108DOPE H12A13809 3.486 2.167 2.737 1.3171 -0.4594 0.2125 108DOPE H12B13810 3.572 2.237 2.596 -0.4445 1.2866 0.6051 108DOPE C1113811 3.522 2.023 2.588 -0.0346 -0.2151 0.3463 108DOPE H11A13812 3.610 1.983 2.643 -0.4282 1.5524 2.3771 108DOPE H11B13813 3.527 2.017 2.477 -0.2176 -0.1672 0.3357 108DOPE P13814 3.391 1.799 2.572 0.4802 0.0852 0.0147 108DOPE O1313815 3.517 1.754 2.509 0.3028 0.0932 -0.3512 108DOPE O1413816 3.270 1.798 2.487 0.3382 -0.0935 0.2175 108DOPE O1113817 3.364 1.722 2.709 -0.1714 0.1540 -0.0717 108DOPE O1213818 3.403 1.952 2.620 -0.4065 0.1980 -0.1061 108DOPE C113819 3.233 1.733 2.766 -0.2094 0.3594 -0.1963 108DOPE HA13820 3.195 1.632 2.795 -1.2019 1.2248 1.6611 108DOPE HB13821 3.164 1.786 2.697 -1.5733 -0.8400 0.1896 108DOPE C213822 3.229 1.803 2.903 0.3664 -0.0037 0.0084 108DOPE HS13823 3.252 1.911 2.893 1.1636 -0.2201 -0.6101 108DOPE O2113824 3.324 1.742 2.991 -0.1775 -0.1479 0.4934 108DOPE C2113825 3.433 1.815 3.013 -0.0358 -0.1846 -0.0826 108DOPE O2213826 3.458 1.922 2.960 0.2090 -0.1013 0.1952 108DOPE C2213827 3.520 1.741 3.114 -0.5234 -0.0697 0.4268 108DOPE H2R13828 3.619 1.713 3.071 -0.2345 -1.9521 2.1683 108DOPE H2S13829 3.470 1.643 3.130 -0.9048 0.1405 0.5417 108DOPE C313830 3.088 1.789 2.961 0.3499 -0.1320 -0.0618 108DOPE HX13831 3.070 1.681 2.976 1.9221 -0.4701 -0.4377 108DOPE HY13832 3.006 1.820 2.892 2.1254 -0.4310 -2.4378 108DOPE O3113833 3.079 1.860 3.085 0.1992 0.0723 -0.1890 108DOPE C3113834 3.057 1.992 3.084 -0.2525 0.0116 0.6791 108DOPE O3213835 3.034 2.056 2.983 -0.2044 -0.5926 0.2760 108DOPE C3213836 3.076 2.050 3.223 -0.4231 0.0121 0.7018 108DOPE H2X13837 3.049 2.157 3.234 0.4775 0.2223 0.8929 108DOPE H2Y13838 3.002 1.996 3.286 -0.4367 -2.0949 -0.9752 108DOPE C2313839 3.547 1.816 3.245 -0.3740 -0.3251 0.5424 108DOPE H3R13840 3.455 1.815 3.307 -2.3181 -0.0328 -2.1620 108DOPE H3S13841 3.580 1.919 3.222 0.6243 -1.1292 -2.0483 108DOPE C2413842 3.667 1.750 3.314 0.1283 -0.1439 -0.1413 108DOPE H4R13843 3.760 1.769 3.257 -0.0486 0.3621 -0.2621 108DOPE H4S13844 3.649 1.640 3.315 -0.0220 -0.1183 0.9822 108DOPE C2513845 3.690 1.802 3.456 0.0606 0.3079 -0.2935 108DOPE H5R13846 3.701 1.912 3.446 -1.5559 0.4270 -1.0465 108DOPE H5S13847 3.786 1.769 3.501 0.7300 1.4773 -0.8205 108DOPE C2613848 3.578 1.789 3.559 -0.1179 -0.2726 -0.5551 108DOPE H6R13849 3.560 1.683 3.588 0.9841 -0.3397 -0.0365 108DOPE H6S13850 3.484 1.824 3.513 0.2562 0.3283 -0.8702 108DOPE C2713851 3.617 1.855 3.691 0.3120 -0.4628 -0.5842 108DOPE H7R13852 3.533 1.854 3.764 1.1567 2.5790 0.6128 108DOPE H7S13853 3.644 1.960 3.666 1.9733 -0.9084 -0.7734 108DOPE C2813854 3.731 1.795 3.774 -0.1438 -0.1336 0.2995 108DOPE H8R13855 3.817 1.777 3.706 0.2799 0.1451 0.7627 108DOPE H8S13856 3.704 1.699 3.824 2.3991 -1.0492 0.0604 108DOPE C2913857 3.759 1.895 3.882 0.9080 -0.0811 -0.0176 108DOPE H9R13858 3.676 1.925 3.947 0.0950 0.3890 -1.2516 108DOPE C21013859 3.876 1.952 3.915 0.3012 1.0810 0.1698 108DOPE H10R13860 3.870 2.019 4.002 -1.1782 0.7537 0.3380 108DOPE C21113861 4.002 1.937 3.835 0.1918 -0.0244 0.1929 108DOPE H11R13862 4.057 2.033 3.825 1.2949 -0.5565 0.8690 108DOPE H11S13863 3.981 1.888 3.737 0.1680 -1.2539 0.7891 108DOPE C21213864 4.092 1.836 3.906 0.3728 0.1474 0.2090 108DOPE H12R13865 4.176 1.804 3.840 -0.4989 -0.7459 -0.4912 108DOPE H12S13866 4.045 1.743 3.944 -1.3642 0.8198 -0.2361 108DOPE C21313867 4.148 1.899 4.034 0.3310 0.3701 0.1162 108DOPE H13R13868 4.065 1.901 4.108 0.2068 1.4552 -0.0380 108DOPE H13S13869 4.181 2.004 4.017 -0.6233 1.1409 2.5585 108DOPE C21413870 4.270 1.832 4.096 0.1397 -0.1834 -0.1005 108DOPE H14R13871 4.302 1.879 4.191 1.9550 0.8777 -1.1896 108DOPE H14S13872 4.363 1.840 4.035 0.5374 0.2499 0.5467 108DOPE C21513873 4.252 1.681 4.112 -0.3148 -0.0596 0.5864 108DOPE H15R13874 4.221 1.643 4.013 -0.3279 -0.3019 0.6818 108DOPE H15S13875 4.173 1.659 4.188 -0.5924 -1.1828 -0.0018 108DOPE C21613876 4.379 1.610 4.161 -0.0906 -0.2290 -0.2251 108DOPE H16R13877 4.415 1.652 4.257 -0.9679 -1.7670 0.8195 108DOPE H16S13878 4.461 1.626 4.088 -0.6527 -2.0125 -1.2844 108DOPE C21713879 4.358 1.461 4.184 0.7103 -0.3396 -0.1816 108DOPE H17R13880 4.455 1.411 4.203 1.3868 0.8743 -0.3840 108DOPE H17S13881 4.329 1.416 4.086 1.6099 0.4155 -0.8036 108DOPE C21813882 4.279 1.422 4.309 0.7426 0.0679 -0.0332 108DOPE H18R13883 4.171 1.424 4.287 0.2765 0.2163 2.0910 108DOPE H18S13884 4.300 1.490 4.395 -0.7466 -0.9451 1.1827 108DOPE H18T13885 4.321 1.326 4.348 -1.5274 0.1854 3.0442 108DOPE C3313886 3.216 2.019 3.275 -0.2102 -0.0837 0.0791 108DOPE H3X13887 3.290 2.058 3.202 -1.2359 -1.5877 -1.8783 108DOPE H3Y13888 3.233 1.909 3.278 -1.8874 -0.3959 -0.7756 108DOPE C3413889 3.241 2.084 3.411 -0.6404 0.1742 0.0382 108DOPE H4X13890 3.238 2.195 3.406 -0.3914 0.2299 0.8511 108DOPE H4Y13891 3.345 2.057 3.440 -0.7304 -1.2423 -0.8938 108DOPE C3513892 3.148 2.035 3.522 -0.2123 0.4836 0.5415 108DOPE H5X13893 3.142 1.925 3.510 0.2104 0.6871 -2.2645 108DOPE H5Y13894 3.047 2.079 3.510 0.1892 1.5401 0.9346 108DOPE C3613895 3.200 2.080 3.659 0.1607 0.5792 0.3678 108DOPE H6X13896 3.309 2.059 3.666 -0.2623 -1.4460 1.8174 108DOPE H6Y13897 3.176 2.188 3.648 1.2887 1.1146 2.5916 108DOPE C3713898 3.135 2.026 3.786 -0.0373 0.9476 0.4229 108DOPE H7X13899 3.028 2.057 3.784 -0.7307 -0.8551 -4.0724 108DOPE H7Y13900 3.141 1.915 3.791 1.9939 1.0161 0.2442 108DOPE C3813901 3.204 2.083 3.909 0.6354 0.1615 0.4172 108DOPE H8X13902 3.307 2.042 3.910 0.6091 0.0565 -0.7316 108DOPE H8Y13903 3.210 2.194 3.911 0.8339 0.1450 1.2731 108DOPE C3913904 3.127 2.029 4.026 1.1888 -0.5612 0.4537 108DOPE H9X13905 3.082 1.930 4.012 2.1231 -0.8174 -0.8834 108DOPE C31013906 3.107 2.094 4.141 0.2100 -0.0536 0.0050 108DOPE H10X13907 3.027 2.056 4.207 0.4964 0.6325 0.7637 108DOPE C31113908 3.153 2.233 4.177 0.3285 -0.1038 0.0460 108DOPE H11X13909 3.229 2.284 4.114 -0.4783 0.2604 -0.6484 108DOPE H11Y13910 3.071 2.301 4.149 0.1729 -0.4738 -0.4029 108DOPE C31213911 3.195 2.247 4.324 -0.4287 0.2131 0.2345 108DOPE H12X13912 3.299 2.217 4.346 -0.4991 -0.1348 0.1062 108DOPE H12Y13913 3.129 2.184 4.387 1.2754 -0.6624 1.2169 108DOPE C31313914 3.204 2.395 4.362 0.0523 0.1701 0.2952 108DOPE H13X13915 3.276 2.446 4.295 2.2817 -0.9736 1.7289 108DOPE H13Y13916 3.104 2.441 4.344 0.1447 0.2582 0.0083 108DOPE C31413917 3.253 2.421 4.504 0.4481 0.4461 0.1098 108DOPE H14X13918 3.196 2.359 4.577 -0.6850 0.4039 -0.7839 108DOPE H14Y13919 3.360 2.395 4.494 0.8954 2.6635 -1.4991 108DOPE C31513920 3.242 2.569 4.542 -0.0085 0.5396 -0.3791 108DOPE H15X13921 3.135 2.597 4.535 0.1174 0.8603 -1.2065 108DOPE H15Y13922 3.300 2.644 4.483 -0.6300 1.7964 0.5731 108DOPE C31613923 3.285 2.592 4.687 -0.1716 -0.5320 -0.1542 108DOPE H16X13924 3.387 2.550 4.699 -0.3137 -0.6552 0.6660 108DOPE H16Y13925 3.218 2.521 4.740 1.0490 -0.9438 0.8883 108DOPE C31713926 3.281 2.738 4.732 -0.2840 -0.5534 -0.0944 108DOPE H17X13927 3.360 2.790 4.675 0.2932 0.1353 1.3069 108DOPE H17Y13928 3.186 2.779 4.691 -0.5176 -2.5609 -1.7235 108DOPE C31813929 3.287 2.769 4.882 -0.2459 0.9474 -0.3927 108DOPE H18X13930 3.250 2.873 4.894 -0.2150 0.8009 1.0770 108DOPE H18Y13931 3.210 2.712 4.938 1.1597 -0.5629 0.0890 108DOPE H18Z13932 3.382 2.745 4.934 -1.5988 -2.5928 0.7935 109DOPE N13933 2.745 4.176 2.592 0.1020 0.2116 -0.0885 109DOPE HN113934 2.790 4.089 2.628 0.2341 0.5252 0.5300 109DOPE HN213935 2.688 4.151 2.509 -1.1080 1.9183 0.1899 109DOPE HN313936 2.822 4.237 2.557 0.4865 1.0747 2.0770 109DOPE C1213937 2.658 4.254 2.687 0.3441 0.0763 0.2471 109DOPE H12A13938 2.704 4.243 2.788 1.5068 -1.0132 -0.3816 109DOPE H12B13939 2.566 4.192 2.694 0.9991 -0.7600 2.2233 109DOPE C1113940 2.635 4.400 2.646 -0.1697 -0.1991 -0.4597 109DOPE H11A13941 2.726 4.460 2.666 0.0266 -0.1550 -1.4351 109DOPE H11B13942 2.559 4.455 2.705 -1.4583 -0.1231 -2.1280 109DOPE P13943 2.498 4.507 2.454 -0.1305 -0.0334 -0.0144 109DOPE O1313944 2.486 4.485 2.308 -0.8054 -0.1457 0.0552 109DOPE O1413945 2.534 4.644 2.497 0.5484 -0.2974 0.2720 109DOPE O1113946 2.367 4.460 2.533 0.2519 -0.2637 0.4939 109DOPE O1213947 2.614 4.409 2.505 0.0576 -0.0595 -0.4861 109DOPE C113948 2.317 4.335 2.485 0.4730 -0.4691 0.7987 109DOPE HA13949 2.396 4.259 2.502 0.5015 -0.5919 0.1277 109DOPE HB13950 2.302 4.328 2.375 -2.5499 -2.7447 1.2132 109DOPE C213951 2.196 4.285 2.566 -0.2666 -0.0117 -0.0115 109DOPE HS13952 2.115 4.354 2.532 -1.1894 -0.8117 0.5207 109DOPE O2113953 2.238 4.293 2.702 -0.4500 -0.4788 0.0748 109DOPE C2113954 2.141 4.338 2.783 0.0800 0.5015 0.1806 109DOPE O2213955 2.026 4.353 2.745 0.0870 0.1291 0.0040 109DOPE C2213956 2.201 4.372 2.918 -0.0107 0.8778 0.1290 109DOPE H2R13957 2.205 4.482 2.927 -0.8168 0.9300 -0.0529 109DOPE H2S13958 2.301 4.326 2.933 0.1225 1.0742 -0.1539 109DOPE C313959 2.166 4.140 2.526 -0.0027 -0.0472 -0.0873 109DOPE HX13960 2.249 4.072 2.556 -0.6654 -0.5170 0.7487 109DOPE HY13961 2.155 4.135 2.416 0.2654 1.5875 -0.2136 109DOPE O3113962 2.044 4.098 2.590 0.2019 0.0575 0.3759 109DOPE C3113963 1.933 4.152 2.540 0.3321 0.3509 0.4013 109DOPE O3213964 1.931 4.226 2.444 -0.0499 -1.0026 -0.6615 109DOPE C3213965 1.809 4.111 2.619 -0.0765 -0.1107 -0.4722 109DOPE H2X13966 1.750 4.029 2.574 -0.4420 0.5375 -1.2091 109DOPE H2Y13967 1.839 4.087 2.723 1.2542 -0.0209 -0.8140 109DOPE C2313968 2.104 4.330 3.029 0.5011 -0.0126 0.2566 109DOPE H3R13969 2.102 4.220 3.043 0.4323 -0.0397 0.0422 109DOPE H3S13970 2.001 4.358 2.998 1.0013 1.6170 -0.0352 109DOPE C2413971 2.149 4.394 3.161 0.4823 0.3942 0.0674 109DOPE H4R13972 2.146 4.505 3.147 -0.2402 0.1011 -2.8729 109DOPE H4S13973 2.258 4.376 3.170 0.4842 0.4336 0.1213 109DOPE C2513974 2.070 4.364 3.288 0.0355 -0.0870 -0.3181 109DOPE H5R13975 2.079 4.256 3.313 -0.8533 0.4143 2.5401 109DOPE H5S13976 1.962 4.380 3.268 -0.3394 0.9936 2.1235 109DOPE C2613977 2.109 4.434 3.418 0.0767 -0.1598 -0.2913 109DOPE H6R13978 2.126 4.541 3.393 1.1729 -0.3800 -0.5532 109DOPE H6S13979 2.205 4.384 3.445 0.5262 -0.6625 -2.5899 109DOPE C2713980 2.010 4.423 3.534 -0.2486 0.5086 -0.5014 109DOPE H7R13981 1.996 4.317 3.565 -3.1166 0.7750 -0.6113 109DOPE H7S13982 1.917 4.447 3.478 -0.1664 0.4441 -0.6644 109DOPE C2813983 2.042 4.527 3.641 0.4139 -0.0340 -0.1614 109DOPE H8R13984 1.961 4.521 3.717 -1.0890 -1.3404 -1.7720 109DOPE H8S13985 2.024 4.624 3.588 0.0671 0.5020 0.9090 109DOPE C2913986 2.180 4.516 3.697 0.4644 -0.4945 -0.3770 109DOPE H9R13987 2.259 4.487 3.625 0.2041 0.8355 -1.2227 109DOPE C21013988 2.206 4.521 3.829 -0.2841 -0.3973 -0.2304 109DOPE H10R13989 2.309 4.495 3.859 0.0745 2.6031 1.5021 109DOPE C21113990 2.117 4.535 3.949 -0.2574 0.1836 -0.2777 109DOPE H11R13991 2.012 4.533 3.911 0.1034 0.7356 -1.3509 109DOPE H11S13992 2.131 4.635 3.994 1.1856 -0.3082 0.4060 109DOPE C21213993 2.134 4.425 4.053 0.3310 0.2935 -0.2563 109DOPE H12R13994 2.236 4.423 4.098 -0.1445 -0.2858 0.8435 109DOPE H12S13995 2.117 4.325 4.006 1.0394 -0.3722 0.8445 109DOPE C21313996 2.045 4.447 4.175 0.8244 0.2314 0.1205 109DOPE H13R13997 1.940 4.430 4.143 0.2966 -0.6700 2.1711 109DOPE H13S13998 2.047 4.555 4.203 -0.3003 0.5285 -0.8466 109DOPE C21413999 2.077 4.355 4.293 -0.1929 -0.2344 0.0426 109DOPE H14R14000 2.172 4.390 4.339 -0.1391 -2.1589 1.5086 109DOPE H14S14001 2.082 4.249 4.261 -0.5909 -0.6799 1.3693 109DOPE C21514002 1.973 4.367 4.405 -0.0329 0.7846 0.0939 109DOPE H15R14003 1.881 4.311 4.375 1.1345 -0.4368 -1.3390 109DOPE H15S14004 1.940 4.473 4.399 -2.9845 -0.0674 -0.6068 109DOPE C21614005 2.023 4.324 4.543 0.2757 -0.4571 -0.3918 109DOPE H16R14006 2.110 4.388 4.566 0.9584 -1.8894 1.1681 109DOPE H16S14007 2.059 4.220 4.531 -2.2997 -1.6097 1.0250 109DOPE C21714008 1.922 4.325 4.659 0.4349 0.2753 -0.2570 109DOPE H17R14009 1.856 4.240 4.634 0.2529 0.1928 0.5016 109DOPE H17S14010 1.858 4.415 4.664 -2.9831 -1.8705 -1.9469 109DOPE C21814011 1.979 4.292 4.796 0.4121 -0.4352 -0.4170 109DOPE H18R14012 2.017 4.382 4.849 1.1669 -0.0640 -1.5646 109DOPE H18S14013 2.070 4.230 4.781 -0.4778 -2.1046 0.7440 109DOPE H18T14014 1.913 4.234 4.864 2.9952 -0.9413 1.8771 109DOPE C3314015 1.714 4.231 2.613 -0.0659 -0.0508 0.5214 109DOPE H3X14016 1.720 4.273 2.510 1.3776 -1.5282 -0.0320 109DOPE H3Y14017 1.753 4.306 2.686 1.4349 1.2500 -1.5166 109DOPE C3414018 1.564 4.206 2.626 -0.1428 0.2463 0.2125 109DOPE H4X14019 1.511 4.304 2.622 -1.1733 -0.2560 1.0200 109DOPE H4Y14020 1.535 4.142 2.540 0.0469 -1.9049 1.6778 109DOPE C3514021 1.514 4.144 2.757 -0.2032 -0.3987 -0.1117 109DOPE H5X14022 1.556 4.041 2.762 1.3346 0.2310 0.7343 109DOPE H5Y14023 1.403 4.146 2.756 -0.1930 0.9759 0.0085 109DOPE C3614024 1.563 4.208 2.887 -0.2747 -0.1943 -0.1851 109DOPE H6X14025 1.674 4.203 2.888 -0.1947 0.6674 -1.4774 109DOPE H6Y14026 1.527 4.312 2.899 0.0441 -0.0646 -0.3470 109DOPE C3714027 1.512 4.122 3.003 -0.3664 -0.2362 -0.2570 109DOPE H7X14028 1.402 4.107 3.005 -0.4648 0.4547 -0.0300 109DOPE H7Y14029 1.568 4.027 3.011 -0.8663 -0.3646 3.4854 109DOPE C3814030 1.543 4.191 3.136 -0.0236 -0.5930 -0.1515 109DOPE H8X14031 1.650 4.217 3.144 -0.4986 1.3958 0.0707 109DOPE H8Y14032 1.482 4.283 3.144 2.2842 1.1194 -1.2259 109DOPE C3914033 1.508 4.095 3.247 0.2337 -0.1345 0.3260 109DOPE H9X14034 1.423 4.028 3.229 0.7252 -1.0028 1.1992 109DOPE C31014035 1.571 4.088 3.365 0.9838 -0.3126 -0.0808 109DOPE H10X14036 1.543 4.020 3.447 0.2292 2.3220 1.9653 109DOPE C31114037 1.680 4.181 3.410 0.4813 0.4354 -0.3878 109DOPE H11X14038 1.692 4.268 3.343 0.2335 2.6590 2.2418 109DOPE H11Y14039 1.770 4.116 3.407 -0.6183 -1.1104 -1.5247 109DOPE C31214040 1.663 4.229 3.555 0.2860 0.4544 -0.4169 109DOPE H12X14041 1.626 4.144 3.616 -1.8529 0.9832 -0.8960 109DOPE H12Y14042 1.761 4.265 3.593 0.0746 2.5312 -1.6947 109DOPE C31314043 1.558 4.339 3.569 0.0496 0.1765 -0.0020 109DOPE H13X14044 1.596 4.421 3.504 1.8169 -0.9223 -0.4138 109DOPE H13Y14045 1.462 4.298 3.531 1.0874 -0.1519 -2.4336 109DOPE C31414046 1.546 4.374 3.718 0.6080 -0.8548 0.2975 109DOPE H14X14047 1.461 4.446 3.729 0.0154 -1.6040 0.7099 109DOPE H14Y14048 1.522 4.284 3.777 -0.6191 -1.2369 -0.7288 109DOPE C31514049 1.671 4.439 3.779 0.2176 0.2716 -0.0671 109DOPE H15X14050 1.692 4.514 3.700 -1.7248 -0.2436 -1.1624 109DOPE H15Y14051 1.756 4.368 3.787 -0.1415 -0.0853 0.7726 109DOPE C31614052 1.644 4.515 3.909 -0.0862 0.0933 -0.0240 109DOPE H16X14053 1.550 4.571 3.891 -0.1010 0.1975 0.3796 109DOPE H16Y14054 1.731 4.578 3.936 -0.7435 0.7603 0.5782 109DOPE C31714055 1.639 4.418 4.027 0.2662 -0.0203 -0.1010 109DOPE H17X14056 1.554 4.347 4.020 -1.0433 1.4666 0.0904 109DOPE H17Y14057 1.728 4.352 4.030 0.0468 -0.2916 1.6000 109DOPE C31814058 1.631 4.484 4.165 0.4933 0.6358 -0.4000 109DOPE H18X14059 1.553 4.562 4.177 1.3923 1.2439 2.1214 109DOPE H18Y14060 1.615 4.420 4.254 0.3057 3.2554 1.5813 109DOPE H18Z14061 1.727 4.536 4.187 0.3051 0.7032 0.2823 110DOPE N14062 1.882 0.349 2.235 0.3458 -0.1021 0.3711 110DOPE HN114063 1.957 0.377 2.168 0.4909 -2.2958 -0.4790 110DOPE HN214064 1.881 0.245 2.230 0.3255 -0.0840 -0.0524 110DOPE HN314065 1.790 0.385 2.204 0.5944 1.0581 0.9377 110DOPE C1214066 1.914 0.398 2.374 -0.5897 -0.3853 0.6878 110DOPE H12A14067 2.023 0.386 2.389 -0.6359 -0.3673 1.0480 110DOPE H12B14068 1.855 0.334 2.444 -1.6658 -0.9554 -0.6751 110DOPE C1114069 1.880 0.545 2.396 -0.0114 -0.1251 -0.1153 110DOPE H11A14070 1.932 0.613 2.325 0.4260 -0.4762 -0.1312 110DOPE H11B14071 1.914 0.581 2.496 -1.5450 -1.1895 0.8440 110DOPE P14072 1.672 0.694 2.471 -0.1472 0.1056 0.0365 110DOPE O1314073 1.527 0.692 2.442 -0.2354 -0.4194 0.4986 110DOPE O1414074 1.739 0.825 2.451 0.4534 -0.2508 -0.3492 110DOPE O1114075 1.687 0.644 2.622 -0.4696 0.3141 0.1364 110DOPE O1214076 1.743 0.583 2.380 0.0693 0.2411 0.0384 110DOPE C114077 1.579 0.665 2.714 -0.3504 -1.3267 0.6779 110DOPE HA14078 1.578 0.575 2.779 -0.5682 -1.4525 0.4978 110DOPE HB14079 1.480 0.681 2.666 -0.7241 1.8023 2.2485 110DOPE C214080 1.579 0.799 2.791 -0.2867 -0.6614 -0.4642 110DOPE HS14081 1.591 0.886 2.723 0.4037 0.9821 1.6733 110DOPE O2114082 1.695 0.806 2.875 -0.5223 0.0440 -0.1981 110DOPE C2114083 1.693 0.904 2.966 -0.5487 -0.6361 0.5369 110DOPE O2214084 1.629 1.008 2.966 0.2208 -0.1571 0.0060 110DOPE C2214085 1.780 0.862 3.083 -0.3641 -0.1198 0.5837 110DOPE H2R14086 1.868 0.811 3.038 -1.8397 -2.4894 0.2624 110DOPE H2S14087 1.730 0.785 3.145 0.2559 -0.6981 0.3743 110DOPE C314088 1.451 0.805 2.874 0.0906 -0.1277 0.0843 110DOPE HX14089 1.370 0.784 2.801 0.1049 0.7061 -0.1776 110DOPE HY14090 1.431 0.906 2.916 0.8976 0.1012 -0.0729 110DOPE O3114091 1.436 0.704 2.974 -0.2004 -0.7958 -0.6228 110DOPE C3114092 1.311 0.696 3.021 -0.0544 0.2231 -0.0321 110DOPE O3214093 1.223 0.776 2.996 -0.2434 -0.0466 -0.2396 110DOPE C3214094 1.288 0.588 3.125 -0.1087 0.0524 -0.2211 110DOPE H2X14095 1.228 0.508 3.077 0.8082 -0.7805 -0.0262 110DOPE H2Y14096 1.381 0.528 3.139 0.8151 1.3957 -0.4666 110DOPE C2314097 1.833 0.986 3.155 0.0939 0.2716 -0.4042 110DOPE H3R14098 1.746 1.042 3.197 0.8726 -0.2343 2.0844 110DOPE H3S14099 1.885 1.050 3.081 0.1127 -1.4504 -1.9447 110DOPE C2414100 1.934 0.945 3.263 -0.2547 0.3859 -0.0328 110DOPE H4R14101 1.983 1.036 3.303 1.1616 -1.2483 2.1525 110DOPE H4S14102 2.010 0.884 3.210 0.2487 2.3568 -1.7203 110DOPE C2514103 1.862 0.888 3.386 0.0601 0.7447 0.3195 110DOPE H5R14104 1.796 0.800 3.372 0.7663 0.3736 -0.8519 110DOPE H5S14105 1.791 0.970 3.413 1.8420 2.0504 1.2358 110DOPE C2614106 1.940 0.866 3.516 0.1990 0.2255 0.1494 110DOPE H6R14107 2.032 0.805 3.502 -0.9686 -2.0664 1.8293 110DOPE H6S14108 1.882 0.802 3.586 0.5649 1.9350 2.0934 110DOPE C2714109 1.956 0.995 3.596 0.4230 0.1882 0.1647 110DOPE H7R14110 1.863 1.055 3.596 -0.1759 -0.7197 0.6889 110DOPE H7S14111 2.015 1.066 3.534 -1.4986 0.4948 -1.4332 110DOPE C2814112 2.024 0.980 3.732 0.3581 -0.5307 0.1236 110DOPE H8R14113 2.044 1.085 3.765 -0.5966 -0.9009 2.0808 110DOPE H8S14114 2.122 0.939 3.701 0.2344 -0.1215 -0.8361 110DOPE C2914115 1.961 0.884 3.829 -0.2615 -0.1986 0.0542 110DOPE H9R14116 1.986 0.779 3.809 -0.6347 -0.4676 0.9281 110DOPE C21014117 1.911 0.926 3.946 -0.2554 -0.0395 0.0012 110DOPE H10R14118 1.871 0.852 4.018 0.9861 0.1784 0.9514 110DOPE C21114119 1.891 1.071 3.977 -0.0603 -0.0491 0.1791 110DOPE H11R14120 1.803 1.086 4.043 0.3866 -1.3185 1.0953 110DOPE H11S14121 1.875 1.138 3.889 -2.0021 1.0923 1.3250 110DOPE C21214122 2.012 1.124 4.054 0.1768 0.1255 -0.3060 110DOPE H12R14123 2.105 1.075 4.019 0.6135 -0.8807 2.0725 110DOPE H12S14124 2.009 1.084 4.158 -3.1277 2.2290 0.5508 110DOPE C21314125 2.027 1.274 4.076 -0.0580 0.0943 0.0782 110DOPE H13R14126 1.935 1.330 4.102 0.5921 0.8641 0.7637 110DOPE H13S14127 2.057 1.317 3.977 1.0783 -0.0418 0.3525 110DOPE C21414128 2.145 1.294 4.171 0.0064 0.3730 -0.0595 110DOPE H14R14129 2.214 1.354 4.109 -2.1359 0.7113 -2.2884 110DOPE H14S14130 2.190 1.195 4.193 -1.5336 -0.7468 -1.6439 110DOPE C21514131 2.111 1.364 4.303 -0.0792 -0.1823 0.2158 110DOPE H15R14132 2.203 1.360 4.366 -0.9097 1.4627 1.6093 110DOPE H15S14133 2.047 1.300 4.367 2.2212 -0.7321 2.1250 110DOPE C21614134 2.078 1.514 4.303 -0.5504 -0.2821 -0.3875 110DOPE H16R14135 2.054 1.555 4.404 1.7040 -0.8873 0.4682 110DOPE H16S14136 1.990 1.533 4.239 -0.5177 -1.0125 -0.6572 110DOPE C21714137 2.196 1.603 4.262 -0.6341 0.2298 0.4610 110DOPE H17R14138 2.215 1.578 4.156 -1.4316 -0.2524 0.4219 110DOPE H17S14139 2.281 1.590 4.332 1.8705 2.2542 -2.0146 110DOPE C21814140 2.160 1.751 4.269 -0.0962 0.3741 0.2222 110DOPE H18R14141 2.242 1.814 4.227 0.8366 -0.5638 0.6075 110DOPE H18S14142 2.141 1.784 4.374 -1.3319 -0.1886 0.1949 110DOPE H18T14143 2.062 1.772 4.221 -0.8178 -1.7751 0.6297 110DOPE C3314144 1.226 0.639 3.255 -0.2036 0.3089 -0.3673 110DOPE H3X14145 1.135 0.702 3.242 -0.1464 1.1138 2.4992 110DOPE H3Y14146 1.304 0.701 3.303 0.3645 -0.2099 -0.6090 110DOPE C3414147 1.180 0.526 3.347 0.2955 0.3556 -0.0584 110DOPE H4X14148 1.261 0.473 3.402 -0.7159 0.7741 1.8958 110DOPE H4Y14149 1.142 0.441 3.285 -0.0490 -0.1162 0.7819 110DOPE C3514150 1.071 0.566 3.446 -0.2354 -0.4670 -0.2991 110DOPE H5X14151 1.024 0.477 3.492 -1.6587 0.2235 -0.3539 110DOPE H5Y14152 0.989 0.619 3.391 0.4924 -0.1150 -1.0712 110DOPE C3614153 1.118 0.665 3.552 -0.6614 -0.2015 -0.3520 110DOPE H6X14154 1.201 0.610 3.602 -0.2470 0.6550 -0.0672 110DOPE H6Y14155 1.166 0.753 3.504 -1.4016 0.3106 -0.1556 110DOPE C3714156 1.003 0.702 3.646 0.0014 0.1515 0.3336 110DOPE H7X14157 0.937 0.767 3.585 -0.0151 0.6880 0.9104 110DOPE H7Y14158 0.950 0.608 3.673 1.2850 -0.9711 -0.8503 110DOPE C3814159 1.043 0.789 3.766 0.1311 0.1841 0.2667 110DOPE H8X14160 1.134 0.742 3.808 1.6453 0.8480 -2.0363 110DOPE H8Y14161 0.962 0.784 3.841 0.7912 -0.4579 0.9578 110DOPE C3914162 1.081 0.929 3.727 -0.0185 0.1257 -0.0962 110DOPE H9X14163 1.178 0.929 3.674 -0.0236 0.9949 -0.1166 110DOPE C31014164 1.025 1.045 3.761 -0.1085 0.0052 0.1662 110DOPE H10X14165 1.057 1.139 3.714 -0.2276 1.5433 2.9105 110DOPE C31114166 0.896 1.063 3.837 0.0713 -0.2671 0.5364 110DOPE H11X14167 0.826 0.983 3.805 -0.4039 1.2638 -2.6042 110DOPE H11Y14168 0.846 1.155 3.802 -0.4354 -1.2316 -1.3883 110DOPE C31214169 0.939 1.071 3.984 0.2402 0.0164 0.4739 110DOPE H12X14170 1.005 1.158 4.003 1.3133 -1.0532 1.8985 110DOPE H12Y14171 1.002 0.983 4.008 0.3719 -0.6958 -2.1697 110DOPE C31314172 0.824 1.062 4.085 -0.0792 0.4061 0.1445 110DOPE H13X14173 0.747 1.138 4.056 1.3644 2.4867 1.5187 110DOPE H13Y14174 0.869 1.107 4.176 -0.1479 1.0301 -0.1172 110DOPE C31414175 0.751 0.929 4.100 0.0555 0.2700 -0.3750 110DOPE H14X14176 0.701 0.920 4.001 -0.2752 -1.1317 -0.1080 110DOPE H14Y14177 0.835 0.857 4.109 2.2040 2.8197 1.5156 110DOPE C31514178 0.648 0.922 4.214 -0.0692 0.0818 -0.4984 110DOPE H15X14179 0.582 0.834 4.202 0.8090 -0.6738 0.0892 110DOPE H15Y14180 0.701 0.895 4.308 -0.6676 -0.4172 -0.2968 110DOPE C31614181 0.563 1.047 4.236 0.1435 0.1799 -0.2307 110DOPE H16X14182 0.521 1.070 4.136 -0.0801 1.0996 0.0590 110DOPE H16Y14183 0.632 1.131 4.261 -0.0858 0.2807 0.0741 110DOPE C31714184 0.456 1.038 4.345 -0.0915 0.1341 -0.4641 110DOPE H17X14185 0.497 1.010 4.445 1.8055 -1.2452 -1.5548 110DOPE H17Y14186 0.394 0.953 4.310 0.6338 -0.4573 -0.3585 110DOPE C31814187 0.378 1.168 4.365 0.4457 0.3775 0.0884 110DOPE H18X14188 0.344 1.196 4.263 2.3061 0.4246 -0.5556 110DOPE H18Y14189 0.294 1.155 4.437 1.4377 1.8041 1.5732 110DOPE H18Z14190 0.434 1.258 4.398 -1.8031 1.2257 1.8787 111DOPE N14191 3.740 1.616 2.536 -0.1488 -0.8327 0.0312 111DOPE HN114192 3.741 1.557 2.451 0.2700 -1.1128 0.2282 111DOPE HN214193 3.666 1.688 2.520 1.5321 0.9349 -0.1077 111DOPE HN314194 3.823 1.672 2.563 -0.6381 -1.3844 3.0426 111DOPE C1214195 3.688 1.520 2.640 -0.4947 -0.0624 0.5854 111DOPE H12A14196 3.620 1.577 2.706 -1.6109 -2.1630 1.3709 111DOPE H12B14197 3.777 1.485 2.697 -1.0147 -1.9917 0.2954 111DOPE C1114198 3.616 1.405 2.569 0.3990 0.0139 -0.4719 111DOPE H11A14199 3.517 1.444 2.536 0.2565 -0.6667 -0.8581 111DOPE H11B14200 3.591 1.330 2.647 1.5049 0.4803 0.3548 111DOPE P14201 3.796 1.239 2.503 0.5362 -0.2933 -0.2868 111DOPE O1314202 3.919 1.266 2.426 0.3681 0.4580 -0.3018 111DOPE O1414203 3.731 1.108 2.478 0.1710 -0.1597 -0.0425 111DOPE O1114204 3.827 1.248 2.660 0.0076 0.0048 -0.1975 111DOPE O1214205 3.692 1.353 2.460 0.5942 -0.2171 -0.2256 111DOPE C114206 3.926 1.157 2.707 -0.0408 -0.1224 -0.3406 111DOPE HA14207 3.992 1.212 2.778 -1.3396 0.4103 0.4865 111DOPE HB14208 3.981 1.103 2.627 2.3473 0.6440 0.6658 111DOPE C214209 3.843 1.047 2.775 -0.0087 0.1896 0.2101 111DOPE HS14210 3.774 0.997 2.704 -1.6263 -0.1010 1.8994 111DOPE O2114211 3.769 1.105 2.883 -0.2423 0.1561 0.0689 111DOPE C2114212 3.661 1.033 2.914 0.0617 -0.2435 0.2154 111DOPE O2214213 3.616 0.937 2.854 -0.7225 0.2762 -0.0402 111DOPE C2214214 3.609 1.087 3.046 0.2975 -0.6951 0.4945 111DOPE H2R14215 3.580 1.194 3.031 -0.2258 -0.9007 0.0154 111DOPE H2S14216 3.685 1.080 3.127 1.1738 0.1988 -0.2158 111DOPE C314217 3.946 0.948 2.832 -0.1203 0.1593 0.3598 111DOPE HX14218 4.007 0.912 2.747 -0.3917 1.7888 -0.5634 111DOPE HY14219 3.899 0.852 2.866 -2.0223 0.4698 -1.1964 111DOPE O3114220 4.029 1.010 2.930 0.0652 0.4327 0.0301 111DOPE C3114221 3.996 0.975 3.054 -0.0935 0.3667 -0.0295 111DOPE O3214222 3.887 0.936 3.094 0.2007 -0.6047 -0.1460 111DOPE C3214223 4.125 0.995 3.134 0.3356 -0.0382 -0.6131 111DOPE H2X14224 4.204 0.926 3.098 0.5804 1.1025 -2.4034 111DOPE H2Y14225 4.163 1.099 3.122 0.1073 0.1376 0.1715 111DOPE C2314226 3.484 1.008 3.085 -0.4092 -0.0992 -0.5376 111DOPE H3R14227 3.523 0.907 3.108 1.8587 0.2240 -2.6082 111DOPE H3S14228 3.411 0.992 3.002 -1.3880 -0.0595 0.2976 111DOPE C2414229 3.404 1.064 3.203 0.2885 -0.1755 -0.0288 111DOPE H4R14230 3.336 1.143 3.165 0.2162 -1.1184 -1.9892 111DOPE H4S14231 3.478 1.105 3.275 0.7364 -0.8725 -0.0791 111DOPE C2514232 3.320 0.965 3.284 -0.4537 0.1411 -0.4098 111DOPE H5R14233 3.254 1.020 3.356 -0.4355 -1.1396 0.6180 111DOPE H5S14234 3.384 0.906 3.352 -0.5660 -0.2117 -0.6083 111DOPE C2614235 3.236 0.866 3.203 0.0700 -0.2263 -0.5076 111DOPE H6R14236 3.300 0.825 3.122 -0.1101 -2.3742 0.3924 111DOPE H6S14237 3.152 0.925 3.159 0.8740 1.7840 0.5233 111DOPE C2714238 3.191 0.744 3.284 -0.2892 0.0262 -0.3227 111DOPE H7R14239 3.274 0.671 3.291 -1.5138 -1.5324 -1.4047 111DOPE H7S14240 3.118 0.690 3.221 0.5966 -2.0446 0.3586 111DOPE C2814241 3.132 0.782 3.420 0.4620 -0.1151 0.0504 111DOPE H8R14242 3.057 0.863 3.405 -1.3830 -1.5717 0.9187 111DOPE H8S14243 3.218 0.816 3.482 -0.0891 -0.5111 1.0612 111DOPE C2914244 3.075 0.663 3.491 0.1069 -0.1624 -0.3112 111DOPE H9R14245 3.126 0.567 3.471 -0.0482 -1.0286 2.8799 111DOPE C21014246 2.962 0.654 3.563 0.2814 -1.0290 -0.1331 111DOPE H10R14247 2.930 0.554 3.597 0.0195 -0.7801 0.3596 111DOPE C21114248 2.867 0.766 3.595 0.7729 -0.5845 -0.2169 111DOPE H11R14249 2.774 0.763 3.534 -0.5532 0.2849 1.6869 111DOPE H11S14250 2.901 0.870 3.578 -0.8775 0.3804 1.9756 111DOPE C21214251 2.821 0.762 3.740 0.6324 0.6638 -0.2181 111DOPE H12R14252 2.774 0.667 3.775 -2.3939 2.5175 1.1948 111DOPE H12S14253 2.743 0.839 3.758 -0.3595 -0.0877 -1.1519 111DOPE C21314254 2.936 0.797 3.835 0.5511 0.0888 0.0984 111DOPE H13R14255 2.988 0.888 3.798 -1.0501 0.4640 -1.3629 111DOPE H13S14256 3.016 0.720 3.836 -0.1184 -0.6140 0.1386 111DOPE C21414257 2.882 0.824 3.976 -0.4822 -0.1293 -0.2466 111DOPE H14R14258 2.970 0.864 4.031 0.0904 -2.7471 0.9295 111DOPE H14S14259 2.797 0.893 3.958 -1.0314 -0.7199 0.0686 111DOPE C21514260 2.834 0.703 4.056 0.2443 0.0814 0.5266 111DOPE H15R14261 2.911 0.626 4.031 1.3365 1.2866 0.0947 111DOPE H15S14262 2.731 0.675 4.025 -0.8251 -0.7167 4.3093 111DOPE C21614263 2.839 0.742 4.204 -0.2991 -0.2209 0.6271 111DOPE H16R14264 2.771 0.829 4.218 0.7619 0.7784 -0.2522 111DOPE H16S14265 2.941 0.761 4.243 -1.0017 -0.7920 2.8901 111DOPE C21714266 2.771 0.636 4.291 -0.5489 -0.5352 0.0602 111DOPE H17R14267 2.803 0.534 4.262 0.9677 0.0646 -0.4973 111DOPE H17S14268 2.665 0.648 4.259 -0.3197 -0.5694 -0.7212 111DOPE C21814269 2.784 0.655 4.442 -0.5410 -0.3888 0.0407 111DOPE H18R14270 2.717 0.580 4.490 0.0830 0.2348 2.0228 111DOPE H18S14271 2.751 0.756 4.475 1.2210 0.0106 0.7200 111DOPE H18T14272 2.890 0.638 4.472 0.5076 1.0441 -2.5675 111DOPE C3314273 4.104 0.961 3.281 0.1384 0.4358 -0.5277 111DOPE H3X14274 4.079 0.852 3.286 -0.8735 0.6942 0.4788 111DOPE H3Y14275 4.024 1.024 3.326 -0.1515 -0.5327 0.3625 111DOPE C3414276 4.228 0.997 3.362 -0.3594 0.3069 0.3058 111DOPE H4X14277 4.308 0.930 3.323 -0.9169 0.3857 -1.0315 111DOPE H4Y14278 4.258 1.103 3.347 -0.7447 0.3852 0.0795 111DOPE C3514279 4.212 0.959 3.510 0.1930 -0.2575 0.2245 111DOPE H5X14280 4.203 0.848 3.518 1.0160 -0.1794 2.9281 111DOPE H5Y14281 4.126 1.012 3.555 -0.3877 1.4645 -2.6488 111DOPE C3614282 4.327 1.001 3.601 0.1385 -0.3355 0.3284 111DOPE H6X14283 4.405 0.922 3.602 -1.1036 -1.6727 2.7956 111DOPE H6Y14284 4.355 1.099 3.559 -0.3733 -0.9875 -1.6202 111DOPE C3714285 4.282 1.027 3.745 -0.0639 0.4227 0.1301 111DOPE H7X14286 4.212 1.112 3.758 -1.5564 -0.9961 1.9319 111DOPE H7Y14287 4.231 0.932 3.770 0.2740 0.0104 -0.7246 111DOPE C3814288 4.400 1.057 3.838 0.2909 -0.2669 -0.0911 111DOPE H8X14289 4.480 0.983 3.815 0.1951 -0.3389 -0.1915 111DOPE H8Y14290 4.447 1.155 3.813 0.4400 -0.4381 -0.4906 111DOPE C3914291 4.351 1.060 3.980 0.2941 -0.3603 -0.0880 111DOPE H9X14292 4.305 1.156 4.011 0.4643 -0.0397 -0.7964 111DOPE C31014293 4.371 0.962 4.068 0.0871 -0.4155 -0.1004 111DOPE H10X14294 4.329 0.978 4.168 -0.6522 -0.7220 -0.3598 111DOPE C31114295 4.440 0.830 4.047 0.1392 -0.5019 0.5787 111DOPE H11X14296 4.417 0.761 4.131 -1.6503 1.1039 1.4738 111DOPE H11Y14297 4.398 0.775 3.960 0.2804 0.4450 -0.1019 111DOPE C31214298 4.592 0.821 4.029 0.0829 -0.1438 -0.0946 111DOPE H12X14299 4.644 0.869 4.115 0.5597 0.7442 -0.8605 111DOPE H12Y14300 4.626 0.878 3.939 -0.8001 -0.2123 -0.4784 111DOPE C31314301 4.631 0.676 4.002 0.4452 -0.1333 0.3667 111DOPE H13X14302 4.617 0.616 4.095 -1.6647 1.4111 1.1253 111DOPE H13Y14303 4.566 0.628 3.926 1.7991 -2.1450 0.3835 111DOPE C31414304 4.779 0.665 3.963 0.3734 0.2463 -0.0105 111DOPE H14X14305 4.835 0.686 4.056 1.3268 -0.3238 -0.4441 111DOPE H14Y14306 4.809 0.737 3.884 -1.5872 1.2474 0.0751 111DOPE C31514307 4.832 0.529 3.917 0.2241 -0.0580 0.7155 111DOPE H15X14308 4.768 0.478 3.842 1.6535 -0.9173 0.0437 111DOPE H15Y14309 4.844 0.457 4.001 1.0059 -0.6367 0.1062 111DOPE C31614310 4.970 0.551 3.856 -0.1699 -0.0918 -0.2071 111DOPE H16X14311 4.964 0.625 3.773 1.1011 -2.6226 -2.7101 111DOPE H16Y14312 5.016 0.454 3.828 1.1774 0.3774 0.2677 111DOPE C31714313 5.077 0.604 3.952 -0.2468 0.0813 -0.2161 111DOPE H17X14314 5.088 0.531 4.035 -2.6537 -0.4697 -0.3297 111DOPE H17Y14315 5.050 0.702 3.995 -0.7812 -0.5040 0.8152 111DOPE C31814316 5.214 0.621 3.886 0.1322 0.1597 0.5732 111DOPE H18X14317 5.290 0.671 3.949 -0.8073 1.8950 0.3813 111DOPE H18Y14318 5.258 0.522 3.860 -1.2223 -0.9181 2.1822 111DOPE H18Z14319 5.210 0.679 3.791 1.0836 -0.6121 0.0441 112DOPE N14320 1.485 4.384 2.189 0.0954 0.2999 -0.3715 112DOPE HN114321 1.471 4.467 2.127 0.1818 0.2531 -0.4546 112DOPE HN214322 1.506 4.415 2.286 -1.7081 0.7400 -0.1036 112DOPE HN314323 1.574 4.339 2.157 0.9398 1.6912 -0.0926 112DOPE C1214324 1.361 4.300 2.182 0.1479 0.1489 0.4867 112DOPE H12A14325 1.343 4.279 2.074 -0.0684 0.8220 0.3906 112DOPE H12B14326 1.277 4.357 2.228 -1.1611 -0.1825 -1.3857 112DOPE C1114327 1.372 4.165 2.255 -0.3054 0.0152 0.3134 112DOPE H11A14328 1.265 4.142 2.274 -0.6393 0.6226 -0.7333 112DOPE H11B14329 1.426 4.178 2.351 -0.5545 1.6930 0.2687 112DOPE P14330 1.582 4.037 2.188 0.2571 0.1147 -0.0113 112DOPE O1314331 1.653 4.165 2.169 -0.3409 0.4233 -0.2170 112DOPE O1414332 1.623 3.922 2.104 0.0282 0.5023 -0.6649 112DOPE O1114333 1.582 4.001 2.343 -0.0095 0.2997 0.0338 112DOPE O1214334 1.426 4.067 2.166 0.1528 0.0145 0.5875 112DOPE C114335 1.587 3.864 2.386 0.2859 0.3623 0.2061 112DOPE HA14336 1.657 3.850 2.471 0.1823 -1.4744 0.0313 112DOPE HB14337 1.610 3.792 2.305 2.2150 -0.4591 1.4242 112DOPE C214338 1.446 3.816 2.424 0.3482 0.0698 0.0633 112DOPE HS14339 1.374 3.808 2.340 -1.4040 -1.9185 1.6348 112DOPE O2114340 1.392 3.907 2.520 0.1012 -0.1820 0.1661 112DOPE C2114341 1.260 3.925 2.511 0.0785 -0.4315 0.0106 112DOPE O2214342 1.194 3.895 2.412 0.1266 0.4495 -0.2980 112DOPE C2214343 1.203 3.991 2.635 -0.0468 -0.2263 -0.1552 112DOPE H2R14344 1.282 4.000 2.714 -0.4945 -0.8150 0.3739 112DOPE H2S14345 1.123 3.926 2.676 0.4630 -0.6202 0.2391 112DOPE C314346 1.450 3.675 2.485 0.1421 0.0159 -0.0471 112DOPE HX14347 1.496 3.614 2.404 -0.5839 0.3327 -0.7108 112DOPE HY14348 1.346 3.634 2.483 0.7486 -1.5658 -0.5241 112DOPE O3114349 1.519 3.661 2.609 -0.3883 -0.5562 0.1947 112DOPE C3114350 1.430 3.670 2.708 -0.2117 0.0392 0.3050 112DOPE O3214351 1.309 3.683 2.699 -0.2137 -0.2220 -0.0385 112DOPE C3214352 1.509 3.654 2.837 -0.0117 -0.4472 0.1217 112DOPE H2X14353 1.468 3.560 2.882 -0.4496 -0.5441 -0.4689 112DOPE H2Y14354 1.619 3.643 2.822 0.3497 -0.0637 2.2538 112DOPE C2314355 1.153 4.131 2.597 0.2427 0.1088 0.6709 112DOPE H3R14356 1.079 4.129 2.515 1.1003 1.7538 -0.1970 112DOPE H3S14357 1.236 4.195 2.559 -0.5265 -0.4323 -2.1389 112DOPE C2414358 1.073 4.205 2.704 -0.4051 -0.1009 0.3331 112DOPE H4R14359 1.005 4.129 2.749 1.7998 -1.6488 1.2260 112DOPE H4S14360 1.008 4.280 2.654 -2.7019 -2.0597 0.2093 112DOPE C2514361 1.160 4.281 2.804 -0.2061 0.4565 -0.2531 112DOPE H5R14362 1.236 4.219 2.856 -2.0865 0.3970 2.7242 112DOPE H5S14363 1.095 4.305 2.892 0.7773 1.3724 0.2427 112DOPE C2614364 1.225 4.412 2.762 0.2562 0.1760 -0.4185 112DOPE H6R14365 1.167 4.470 2.686 0.8536 1.6746 0.2350 112DOPE H6S14366 1.318 4.373 2.715 0.1801 0.0925 -0.5011 112DOPE C2714367 1.256 4.506 2.879 -0.0850 0.3238 -0.4436 112DOPE H7R14368 1.277 4.440 2.965 -0.1037 -1.3092 -1.6381 112DOPE H7S14369 1.166 4.567 2.898 -0.1415 0.3230 -0.6987 112DOPE C2814370 1.385 4.586 2.860 0.4601 -0.4264 0.0583 112DOPE H8R14371 1.468 4.513 2.844 1.3966 0.0594 2.2849 112DOPE H8S14372 1.402 4.632 2.960 1.7118 1.3608 -0.9109 112DOPE C2914373 1.376 4.693 2.755 -0.0890 -0.4420 0.0898 112DOPE H9R14374 1.346 4.664 2.653 1.5834 1.8553 -1.1345 112DOPE C21014375 1.348 4.823 2.773 0.0048 -0.2956 -0.7692 112DOPE H10R14376 1.342 4.885 2.683 3.2127 0.5454 -0.5342 112DOPE C21114377 1.333 4.897 2.903 0.1431 -0.4536 -0.6628 112DOPE H11R14378 1.417 4.966 2.925 -1.3888 0.4692 2.9686 112DOPE H11S14379 1.329 4.822 2.985 -0.4383 -0.2974 -0.5468 112DOPE C21214380 1.208 4.985 2.903 0.4918 0.0597 0.3168 112DOPE H12R14381 1.211 5.045 2.809 -0.2418 0.1006 0.3164 112DOPE H12S14382 1.209 5.052 2.991 2.2795 -0.0550 0.4256 112DOPE C21314383 1.081 4.901 2.913 0.3695 0.2146 0.0873 112DOPE H13R14384 1.090 4.828 2.829 2.3660 0.7439 -0.2066 112DOPE H13S14385 0.992 4.967 2.905 0.1971 0.3696 2.5125 112DOPE C21414386 1.068 4.821 3.043 0.1999 0.1216 0.0125 112DOPE H14R14387 0.975 4.762 3.028 1.2311 -1.3170 -0.8865 112DOPE H14S14388 1.152 4.750 3.053 2.1203 1.9284 -2.1729 112DOPE C21514389 1.075 4.907 3.170 0.2070 0.2164 -0.0523 112DOPE H15R14390 1.177 4.949 3.182 0.5734 -0.5029 -0.5485 112DOPE H15S14391 1.062 4.841 3.258 -0.9868 -1.2775 -1.2912 112DOPE C21614392 0.962 5.009 3.178 -0.1154 -0.1805 0.4937 112DOPE H16R14393 0.866 4.960 3.153 -0.1866 0.6480 -1.0125 112DOPE H16S14394 0.960 5.084 3.096 -0.1577 -0.4597 0.2413 112DOPE C21714395 0.949 5.085 3.310 -0.0504 -0.3911 0.6206 112DOPE H17R14396 0.850 5.134 3.319 0.2040 0.1413 0.5447 112DOPE H17S14397 1.016 5.173 3.315 0.6407 -0.8695 -0.1116 112DOPE C21814398 0.967 5.004 3.439 -0.5292 0.0043 0.9402 112DOPE H18R14399 1.075 4.980 3.452 -0.5140 -1.0133 -0.7211 112DOPE H18S14400 0.919 4.904 3.445 2.2834 -1.4770 0.5376 112DOPE H18T14401 0.931 5.065 3.525 1.7408 1.4432 0.9514 112DOPE C3314402 1.464 3.765 2.931 0.1870 -0.1295 -0.1569 112DOPE H3X14403 1.358 3.796 2.934 0.3920 0.6327 -0.5039 112DOPE H3Y14404 1.529 3.850 2.900 1.1333 -1.4009 -1.7872 112DOPE C3414405 1.507 3.734 3.075 -0.0699 -0.1758 -0.0910 112DOPE H4X14406 1.606 3.684 3.079 -1.0060 -2.0545 0.6367 112DOPE H4Y14407 1.524 3.834 3.121 -0.8596 0.3232 -0.8396 112DOPE C3514408 1.419 3.641 3.159 -0.0963 -0.3836 -0.3469 112DOPE H5X14409 1.414 3.544 3.105 1.2322 -0.0655 -1.0823 112DOPE H5Y14410 1.317 3.686 3.163 0.6872 1.5245 -0.4676 112DOPE C3614411 1.475 3.621 3.300 -0.0434 -0.2639 -0.3505 112DOPE H6X14412 1.583 3.597 3.288 -0.2218 -1.1582 -0.2464 112DOPE H6Y14413 1.460 3.710 3.365 0.3873 -0.0416 -0.5560 112DOPE C3714414 1.403 3.497 3.353 0.0605 -0.0633 0.2725 112DOPE H7X14415 1.293 3.512 3.360 0.1756 0.9517 -0.0125 112DOPE H7Y14416 1.407 3.408 3.286 -1.2523 1.0174 -1.3177 112DOPE C3814417 1.456 3.467 3.493 0.2892 0.1805 0.2395 112DOPE H8X14418 1.566 3.456 3.482 0.1814 0.2110 -0.9482 112DOPE H8Y14419 1.434 3.562 3.545 1.2278 0.6732 -0.2498 112DOPE C3914420 1.405 3.345 3.566 0.4139 0.0040 0.0346 112DOPE H9X14421 1.390 3.249 3.515 0.5468 -0.0311 0.0623 112DOPE C31014422 1.371 3.327 3.694 0.3508 0.4166 0.0794 112DOPE H10X14423 1.339 3.230 3.735 -0.0113 0.0567 -1.0130 112DOPE C31114424 1.375 3.436 3.797 -0.0498 0.1619 0.3682 112DOPE H11X14425 1.421 3.532 3.765 -0.4482 1.2362 2.7418 112DOPE H11Y14426 1.268 3.459 3.818 0.2128 1.7392 0.1450 112DOPE C31214427 1.439 3.391 3.928 -0.0019 -0.0889 0.2592 112DOPE H12X14428 1.541 3.350 3.913 0.4794 1.0966 0.1719 112DOPE H12Y14429 1.370 3.314 3.968 -0.4204 0.7374 1.1841 112DOPE C31314430 1.449 3.506 4.029 -0.2401 0.0539 0.1209 112DOPE H13X14431 1.513 3.586 3.989 -1.7067 1.6754 0.8919 112DOPE H13Y14432 1.351 3.548 4.058 -0.7717 -0.5565 -0.7399 112DOPE C31414433 1.509 3.462 4.163 0.2587 -0.0623 -0.1399 112DOPE H14X14434 1.593 3.392 4.142 0.4572 0.0901 0.1401 112DOPE H14Y14435 1.427 3.409 4.216 -0.4202 0.4717 -0.6486 112DOPE C31514436 1.556 3.585 4.240 0.0887 -0.0472 -0.0599 112DOPE H15X14437 1.480 3.666 4.234 -0.8953 -0.9644 -0.3913 112DOPE H15Y14438 1.642 3.619 4.178 1.5210 -5.1417 -1.2842 112DOPE C31614439 1.612 3.563 4.380 -0.0015 -0.2828 -0.0607 112DOPE H16X14440 1.663 3.654 4.420 -0.0982 0.4914 -1.6394 112DOPE H16Y14441 1.689 3.483 4.378 0.4987 0.1849 0.1146 112DOPE C31714442 1.504 3.518 4.478 -0.2164 -0.2274 -0.2723 112DOPE H17X14443 1.545 3.508 4.581 -1.4655 -2.3923 0.0805 112DOPE H17Y14444 1.460 3.422 4.443 -0.9323 -0.2137 0.5432 112DOPE C31814445 1.387 3.616 4.499 0.0868 0.0639 0.0811 112DOPE H18X14446 1.321 3.619 4.410 -1.6612 -0.4812 1.3112 112DOPE H18Y14447 1.335 3.568 4.584 3.4564 -1.1029 1.7030 112DOPE H18Z14448 1.429 3.713 4.533 -1.1370 -0.2398 2.6197 113DOPE N14449 0.980 1.462 2.437 0.8332 -0.1381 0.1160 113DOPE HN114450 0.916 1.493 2.512 -0.3724 -1.2322 -0.4240 113DOPE HN214451 0.906 1.427 2.372 1.3823 -2.1374 0.4904 113DOPE HN314452 1.045 1.392 2.479 0.5483 1.1609 2.9080 113DOPE C1214453 1.060 1.567 2.365 -0.4085 0.4968 -0.3689 113DOPE H12A14454 0.983 1.640 2.332 -1.1672 0.0880 0.4848 113DOPE H12B14455 1.126 1.534 2.281 0.0140 0.9635 -0.2286 113DOPE C1114456 1.149 1.636 2.468 -0.3983 -0.3329 0.1824 113DOPE H11A14457 1.221 1.705 2.419 -0.8631 0.6044 0.7973 113DOPE H11B14458 1.204 1.562 2.530 1.4530 -0.0247 -0.9830 113DOPE P14459 1.143 1.812 2.653 -0.0571 0.2336 -0.1333 113DOPE O1314460 1.233 1.899 2.574 -0.0789 0.3193 -0.0639 113DOPE O1414461 1.051 1.882 2.745 0.2902 0.8723 -0.2616 113DOPE O1114462 1.231 1.715 2.746 0.0067 0.3754 -0.0449 113DOPE O1214463 1.067 1.704 2.563 -0.0397 -0.2681 0.4479 113DOPE C114464 1.368 1.750 2.766 0.2119 -0.2816 -0.2713 113DOPE HA14465 1.376 1.854 2.804 -2.3655 0.0529 -0.5125 113DOPE HB14466 1.418 1.738 2.668 0.2681 -1.3280 -0.1293 113DOPE C214467 1.436 1.653 2.865 -0.2397 0.0753 0.3982 113DOPE HS14468 1.452 1.558 2.810 0.3909 1.0312 -1.1390 113DOPE O2114469 1.352 1.636 2.980 -0.2347 -0.4469 0.3247 113DOPE C2114470 1.396 1.536 3.057 0.3155 -0.2081 0.3229 113DOPE O2214471 1.475 1.448 3.027 0.1387 -0.2970 0.1217 113DOPE C2214472 1.317 1.544 3.186 -0.0095 -0.2987 0.1300 113DOPE H2R14473 1.233 1.473 3.170 0.0191 -0.1154 -0.9226 113DOPE H2S14474 1.280 1.648 3.200 -0.2590 -0.5026 1.0989 113DOPE C314475 1.570 1.713 2.910 -0.1224 0.3933 -0.3545 113DOPE HX14476 1.626 1.733 2.816 -2.1542 0.4263 -1.6064 113DOPE HY14477 1.630 1.636 2.965 0.2028 -0.1060 -1.3785 113DOPE O3114478 1.549 1.839 2.974 -0.5798 0.1685 -0.0619 113DOPE C3114479 1.577 1.854 3.103 -0.1752 -0.3801 -0.0837 113DOPE O3214480 1.606 1.763 3.181 -0.2336 -0.0990 0.2692 113DOPE C3214481 1.541 1.995 3.148 -0.3429 -0.2691 -0.5594 113DOPE H2X14482 1.618 2.042 3.214 -1.1118 1.8390 -1.0990 113DOPE H2Y14483 1.544 2.065 3.062 -1.0148 -1.0963 -1.2736 113DOPE C2314484 1.401 1.487 3.301 0.1055 -0.2713 0.0593 113DOPE H3R14485 1.501 1.530 3.319 -0.5713 1.1919 0.4248 113DOPE H3S14486 1.423 1.381 3.276 0.3194 -0.6378 1.7249 113DOPE C2414487 1.329 1.485 3.436 -0.1505 -0.6339 -0.0779 113DOPE H4R14488 1.233 1.429 3.432 0.1526 -1.1318 -3.0429 113DOPE H4S14489 1.312 1.594 3.454 -1.5230 -0.6590 -1.0679 113DOPE C2514490 1.420 1.428 3.545 0.3615 -0.0826 -0.2063 113DOPE H5R14491 1.504 1.498 3.560 0.4453 -0.2197 -0.0306 113DOPE H5S14492 1.463 1.332 3.510 0.2881 -0.1624 -0.0807 113DOPE C2614493 1.354 1.407 3.682 0.3064 0.0263 -0.2158 113DOPE H6R14494 1.435 1.363 3.745 2.2142 1.3807 -1.6111 113DOPE H6S14495 1.282 1.322 3.673 1.1124 -0.7377 0.3851 113DOPE C2714496 1.275 1.525 3.738 -0.3931 -0.4973 -0.0812 113DOPE H7R14497 1.205 1.552 3.656 1.2658 -1.4115 -1.8913 113DOPE H7S14498 1.354 1.603 3.750 -0.0409 -0.8898 0.1715 113DOPE C2814499 1.216 1.495 3.876 -0.4419 -0.1155 -0.0175 113DOPE H8R14500 1.307 1.486 3.939 -1.6971 0.7195 1.9989 113DOPE H8S14501 1.158 1.400 3.877 -0.3069 -0.1951 0.1816 113DOPE C2914502 1.134 1.612 3.921 -0.3813 -0.1948 0.2968 113DOPE H9R14503 1.069 1.656 3.844 -2.3937 -1.5642 1.1049 113DOPE C21014504 1.145 1.678 4.038 -0.2680 0.1316 0.1021 113DOPE H10R14505 1.081 1.764 4.059 -0.4463 0.6167 -2.1704 113DOPE C21114506 1.239 1.646 4.150 -0.2784 -0.3101 -0.0121 113DOPE H11R14507 1.344 1.650 4.114 -0.7030 0.5750 -1.1687 113DOPE H11S14508 1.201 1.556 4.205 0.6104 0.2148 1.5380 113DOPE C21214509 1.227 1.751 4.261 -0.7716 -0.0076 -0.3463 113DOPE H12R14510 1.294 1.709 4.340 -1.6567 -3.3257 -1.1965 113DOPE H12S14511 1.124 1.750 4.302 -0.7872 2.7934 -0.1755 113DOPE C21314512 1.261 1.897 4.230 0.1405 -0.1905 -0.2350 113DOPE H13R14513 1.189 1.944 4.161 0.2093 2.0482 1.1413 113DOPE H13S14514 1.364 1.903 4.189 -0.3200 0.6384 -1.3066 113DOPE C21414515 1.258 1.983 4.356 0.4777 -0.3366 -0.1243 113DOPE H14R14516 1.326 1.938 4.431 -0.1550 -0.3809 0.4397 113DOPE H14S14517 1.151 1.977 4.386 0.2399 -0.8114 -1.0405 113DOPE C21514518 1.303 2.129 4.340 -0.1265 -0.0756 0.4860 113DOPE H15R14519 1.227 2.189 4.284 0.0393 0.7266 1.1086 113DOPE H15S14520 1.391 2.120 4.273 1.4864 3.4482 1.9414 113DOPE C21614521 1.336 2.209 4.466 0.1635 0.1536 0.2666 113DOPE H16R14522 1.366 2.311 4.436 0.7165 -0.2964 -0.7772 113DOPE H16S14523 1.428 2.164 4.508 -0.5020 -1.5408 0.0192 113DOPE C21714524 1.235 2.210 4.581 -0.7253 -0.3259 -0.4933 113DOPE H17R14525 1.299 2.260 4.657 -1.4119 -1.5640 0.9339 113DOPE H17S14526 1.202 2.112 4.621 -1.3887 0.0278 -0.1475 113DOPE C21814527 1.118 2.300 4.541 -0.4989 0.2578 0.1368 113DOPE H18R14528 1.043 2.254 4.473 -0.7994 -0.9153 1.2320 113DOPE H18S14529 1.155 2.395 4.497 -3.4209 2.3436 1.7793 113DOPE H18T14530 1.064 2.334 4.632 -0.4953 1.0824 -0.1594 113DOPE C3314531 1.399 1.988 3.205 -0.1674 -0.1910 -0.1022 113DOPE H3X14532 1.401 1.924 3.296 -2.2891 -1.4174 -0.8556 113DOPE H3Y14533 1.337 1.934 3.130 -1.2659 0.0989 0.5861 113DOPE C3414534 1.345 2.128 3.234 0.2984 -0.0261 -0.0116 113DOPE H4X14535 1.318 2.165 3.132 -1.5174 -0.6853 0.1845 113DOPE H4Y14536 1.245 2.123 3.283 -0.6719 0.7344 -1.8118 113DOPE C3514537 1.438 2.215 3.319 0.0946 -0.0815 0.2691 113DOPE H5X14538 1.520 2.240 3.248 -0.9825 0.3703 -0.8606 113DOPE H5Y14539 1.472 2.156 3.406 0.9575 1.3664 0.9451 113DOPE C3614540 1.376 2.345 3.369 0.3468 0.0591 0.2123 113DOPE H6X14541 1.458 2.419 3.384 1.8449 -1.3575 -0.6479 113DOPE H6Y14542 1.303 2.385 3.296 1.7037 1.3328 -0.5165 113DOPE C3714543 1.306 2.315 3.502 -0.0237 -0.8297 -0.1760 113DOPE H7X14544 1.227 2.238 3.495 0.9559 -2.1471 2.1788 113DOPE H7Y14545 1.371 2.280 3.585 1.4176 -0.0650 -0.9283 113DOPE C3814546 1.267 2.449 3.565 -0.3736 -0.5617 -0.9480 113DOPE H8X14547 1.353 2.502 3.613 -1.0033 -2.4227 2.5311 113DOPE H8Y14548 1.197 2.508 3.503 -1.7464 -0.0750 0.9706 113DOPE C3914549 1.173 2.411 3.675 -0.3253 0.5200 -0.5252 113DOPE H9X14550 1.080 2.362 3.644 0.1878 -0.8864 0.0715 113DOPE C31014551 1.173 2.453 3.803 -0.6438 0.5036 -0.5186 113DOPE H10X14552 1.095 2.403 3.862 -0.9738 -2.2405 -3.0143 113DOPE C31114553 1.270 2.539 3.878 -0.2056 -0.5262 0.1322 113DOPE H11X14554 1.373 2.544 3.837 -0.2493 2.2258 0.1647 113DOPE H11Y14555 1.243 2.647 3.876 2.6429 0.3211 1.8574 113DOPE C31214556 1.285 2.518 4.028 -0.1883 -0.0095 0.2057 113DOPE H12X14557 1.304 2.414 4.061 -1.3900 0.4984 2.8033 113DOPE H12Y14558 1.186 2.539 4.075 -0.0649 -0.3309 0.6168 113DOPE C31314559 1.388 2.610 4.093 -0.1665 0.0043 0.1512 113DOPE H13X14560 1.487 2.579 4.054 -0.3761 0.0464 -0.4262 113DOPE H13Y14561 1.380 2.717 4.066 -0.0349 0.2933 1.1895 113DOPE C31414562 1.387 2.604 4.246 0.3274 0.0028 0.1569 113DOPE H14X14563 1.287 2.623 4.290 -0.8547 0.5998 -2.5659 113DOPE H14Y14564 1.423 2.505 4.284 2.1320 0.7246 0.4353 113DOPE C31514565 1.474 2.709 4.315 0.1151 0.3995 -0.1739 113DOPE H15X14566 1.579 2.676 4.295 0.0943 0.4168 -0.3108 113DOPE H15Y14567 1.459 2.807 4.265 -2.2934 0.1870 0.0134 113DOPE C31614568 1.456 2.726 4.466 0.0908 0.1541 -0.1484 113DOPE H16X14569 1.359 2.765 4.505 0.7339 1.0382 0.5896 113DOPE H16Y14570 1.478 2.634 4.523 -0.3312 -0.7198 -1.3497 113DOPE C31714571 1.547 2.839 4.514 -0.0615 0.0627 0.3640 113DOPE H17X14572 1.655 2.818 4.523 0.1219 1.2996 1.3262 113DOPE H17Y14573 1.536 2.925 4.444 -2.1563 0.1201 0.6932 113DOPE C31814574 1.494 2.892 4.647 0.3151 -0.0356 0.5534 113DOPE H18X14575 1.579 2.921 4.713 -0.5245 1.8727 0.8689 113DOPE H18Y14576 1.429 2.982 4.639 0.7558 0.1453 -1.5242 113DOPE H18Z14577 1.439 2.810 4.698 1.0027 0.7579 2.6811 114DOPE N14578 2.090 2.422 2.582 0.1547 -0.2038 0.4726 114DOPE HN114579 1.999 2.379 2.610 -1.1563 0.6817 -2.0336 114DOPE HN214580 2.145 2.436 2.669 0.0138 2.4818 0.2187 114DOPE HN314581 2.060 2.515 2.546 1.9460 -0.2194 -1.2339 114DOPE C1214582 2.174 2.354 2.477 0.1938 -0.2110 0.5087 114DOPE H12A14583 2.268 2.413 2.469 -1.0508 1.8473 0.2863 114DOPE H12B14584 2.118 2.369 2.383 2.5083 0.3121 -0.8600 114DOPE C1114585 2.207 2.209 2.512 0.2394 -0.4782 -0.6163 114DOPE H11A14586 2.263 2.218 2.607 -0.1212 0.8536 -0.5138 114DOPE H11B14587 2.274 2.166 2.434 -0.4825 0.1678 -1.6054 114DOPE P14588 2.076 2.017 2.612 0.1368 0.1685 0.0915 114DOPE O1314589 2.177 1.916 2.576 0.3295 0.1690 0.6147 114DOPE O1414590 1.935 1.971 2.612 0.3437 -0.4773 0.3202 114DOPE O1114591 2.111 2.087 2.752 -0.0900 0.0935 0.1877 114DOPE O1214592 2.081 2.142 2.512 0.0639 -0.1494 -0.3090 114DOPE C114593 2.009 2.160 2.819 -0.3399 0.4997 -0.6176 114DOPE HA14594 1.907 2.151 2.775 -0.3233 -0.4477 -0.4794 114DOPE HB14595 2.026 2.270 2.823 -2.5808 0.9424 -1.7992 114DOPE C214596 1.988 2.121 2.967 0.1977 0.3603 -0.5764 114DOPE HS14597 1.942 2.194 3.037 -2.1553 -0.8209 -0.7696 114DOPE O2114598 2.105 2.064 3.024 -0.1569 0.1402 -0.0657 114DOPE C2114599 2.199 2.156 3.046 0.0537 -0.0261 -0.2623 114DOPE O2214600 2.192 2.273 3.012 -0.0360 -0.0225 -0.2331 114DOPE C2214601 2.325 2.093 3.103 -0.1414 -0.5786 -0.4304 114DOPE H2R14602 2.334 1.984 3.088 1.3538 -0.6682 0.8314 114DOPE H2S14603 2.329 2.094 3.214 1.6394 -1.5025 -0.4452 114DOPE C314604 1.876 2.016 2.964 -0.3136 0.8532 0.7203 114DOPE HX14605 1.890 1.953 2.874 0.6101 1.2349 0.5920 114DOPE HY14606 1.774 2.058 2.948 0.5289 1.5820 -4.4598 114DOPE O3114607 1.882 1.930 3.078 -0.2606 -0.1410 -0.0202 114DOPE C3114608 1.922 1.804 3.062 0.5845 0.1264 -0.0539 114DOPE O3214609 1.934 1.744 2.956 -0.0855 0.3339 -0.2542 114DOPE C3214610 1.949 1.739 3.197 0.0763 -0.5742 -0.2839 114DOPE H2X14611 1.894 1.798 3.273 2.1530 -0.0611 0.9029 114DOPE H2Y14612 1.915 1.634 3.212 -1.8557 0.0628 0.0288 114DOPE C2314613 2.451 2.164 3.050 0.4893 -0.7118 0.8515 114DOPE H3R14614 2.452 2.255 3.113 2.5761 -0.8961 1.1337 114DOPE H3S14615 2.440 2.201 2.946 3.3031 0.7887 1.0045 114DOPE C2414616 2.588 2.099 3.068 0.6976 -0.6249 -0.3475 114DOPE H4R14617 2.659 2.174 3.027 0.6557 -1.1849 -1.4528 114DOPE H4S14618 2.592 2.012 3.000 -1.1412 -0.8446 -0.2241 114DOPE C2514619 2.637 2.048 3.204 0.4798 -0.5539 -0.2434 114DOPE H5R14620 2.735 1.998 3.202 1.0203 0.4898 -2.5639 114DOPE H5S14621 2.555 1.981 3.238 -0.3684 0.4637 -0.2160 114DOPE C2614622 2.660 2.159 3.307 -0.1128 -0.2746 -0.4025 114DOPE H6R14623 2.562 2.208 3.326 -0.7838 -1.8279 0.3240 114DOPE H6S14624 2.737 2.224 3.259 -0.0089 -1.6607 -2.2014 114DOPE C2714625 2.721 2.119 3.442 -0.3706 0.3113 -0.1095 114DOPE H7R14626 2.824 2.084 3.420 0.0035 1.0415 0.4239 114DOPE H7S14627 2.668 2.034 3.489 -0.2474 -0.3519 -1.1435 114DOPE C2814628 2.727 2.242 3.533 0.1561 0.1887 0.0232 114DOPE H8R14629 2.626 2.286 3.545 -0.5734 -0.6600 -2.5364 114DOPE H8S14630 2.787 2.319 3.481 -0.8233 1.3396 0.5614 114DOPE C2914631 2.791 2.205 3.664 0.6829 -0.1588 -0.3270 114DOPE H9R14632 2.759 2.113 3.715 -2.0157 0.1495 -1.2865 114DOPE C21014633 2.891 2.279 3.714 0.3184 0.1263 -0.0115 114DOPE H10R14634 2.932 2.252 3.812 0.9364 0.0103 -0.2968 114DOPE C21114635 2.951 2.410 3.671 0.2058 0.1561 -0.0781 114DOPE H11R14636 2.880 2.459 3.601 0.4335 0.6913 0.0571 114DOPE H11S14637 3.040 2.384 3.610 -1.3102 1.7031 -3.2207 114DOPE C21214638 2.982 2.515 3.778 -0.3966 0.0074 0.2431 114DOPE H12R14639 2.894 2.501 3.845 0.1104 -1.8508 0.6007 114DOPE H12S14640 2.981 2.621 3.746 -1.6891 -0.2493 -0.6608 114DOPE C21314641 3.117 2.492 3.845 0.2729 0.0878 -1.0507 114DOPE H13R14642 3.199 2.494 3.770 0.6800 -0.1684 -0.6178 114DOPE H13S14643 3.115 2.395 3.899 0.3561 0.4122 -0.4490 114DOPE C21414644 3.152 2.599 3.949 -0.0741 -0.5915 -0.2270 114DOPE H14R14645 3.072 2.611 4.025 0.0402 2.7864 -0.5055 114DOPE H14S14646 3.153 2.696 3.896 -0.3117 -1.3103 -1.5809 114DOPE C21514647 3.296 2.591 4.002 -0.0286 0.1711 -0.2364 114DOPE H15R14648 3.371 2.623 3.926 0.6042 0.0951 0.3467 114DOPE H15S14649 3.318 2.488 4.038 1.5657 0.5178 -0.1348 114DOPE C21614650 3.326 2.681 4.122 -0.6169 -0.0651 0.0907 114DOPE H16R14651 3.260 2.663 4.210 -0.1582 1.9133 0.8869 114DOPE H16S14652 3.327 2.789 4.095 2.3683 0.1285 0.6586 114DOPE C21714653 3.471 2.657 4.163 -0.5570 -0.2467 -0.2219 114DOPE H17R14654 3.536 2.691 4.080 -0.6869 1.8163 0.4609 114DOPE H17S14655 3.501 2.550 4.170 -0.2723 -0.1812 -0.4516 114DOPE C21814656 3.519 2.728 4.290 -0.3768 -0.1625 -0.3374 114DOPE H18R14657 3.478 2.685 4.384 1.0668 -0.6106 0.1248 114DOPE H18S14658 3.499 2.837 4.290 -0.0017 -0.0752 0.8830 114DOPE H18T14659 3.630 2.719 4.295 -0.3510 0.6213 1.0802 114DOPE C3314660 2.099 1.741 3.228 0.0356 -0.2644 -0.1016 114DOPE H3X14661 2.136 1.844 3.206 0.3590 -0.1543 0.9242 114DOPE H3Y14662 2.137 1.662 3.160 0.6984 -0.2445 0.2429 114DOPE C3414663 2.134 1.698 3.370 -0.1937 -0.1860 -0.0208 114DOPE H4X14664 2.065 1.614 3.392 -0.9931 0.6728 0.8511 114DOPE H4Y14665 2.101 1.777 3.441 -0.0132 -0.3819 0.2806 114DOPE C3514666 2.281 1.658 3.367 -0.1131 0.1375 -0.5111 114DOPE H5X14667 2.289 1.586 3.282 -0.0734 -0.2686 -0.1673 114DOPE H5Y14668 2.312 1.595 3.453 -1.5329 0.3709 0.1959 114DOPE C3614669 2.380 1.775 3.365 0.1402 -0.0558 0.2584 114DOPE H6X14670 2.389 1.815 3.262 -0.3069 1.2293 0.6922 114DOPE H6Y14671 2.481 1.734 3.382 -0.4411 -1.4481 0.5340 114DOPE C3714672 2.353 1.887 3.466 -0.0571 0.4174 -0.3111 114DOPE H7X14673 2.409 1.978 3.434 0.5273 -0.2376 -1.2131 114DOPE H7Y14674 2.249 1.925 3.460 -0.6537 -1.0347 0.3169 114DOPE C3814675 2.382 1.854 3.613 0.1195 -0.0520 -0.4485 114DOPE H8X14676 2.294 1.803 3.657 -1.2028 2.4469 0.0049 114DOPE H8Y14677 2.470 1.788 3.627 0.7738 0.5296 -1.6545 114DOPE C3914678 2.416 1.981 3.685 -0.2965 -0.1478 -0.0783 114DOPE H9X14679 2.484 2.040 3.621 1.2182 -0.7082 0.9431 114DOPE C31014680 2.378 2.026 3.806 0.0151 -0.7836 0.2617 114DOPE H10X14681 2.417 2.126 3.830 1.6014 -1.4129 0.4647 114DOPE C31114682 2.284 1.960 3.903 -0.3742 -0.4920 0.0830 114DOPE H11X14683 2.320 1.980 4.006 -1.2444 1.0339 0.1309 114DOPE H11Y14684 2.301 1.852 3.887 -0.2781 -0.5792 0.7670 114DOPE C31214685 2.134 1.986 3.890 -0.3042 0.0817 0.3628 114DOPE H12X14686 2.094 2.089 3.903 1.0059 0.9497 -1.8214 114DOPE H12Y14687 2.087 1.936 3.978 1.8198 0.1548 1.5981 114DOPE C31314688 2.061 1.924 3.770 0.5017 -0.0682 -0.0544 114DOPE H13X14689 2.089 1.982 3.678 -1.3964 1.3688 0.2087 114DOPE H13Y14690 2.081 1.815 3.766 -1.5103 -0.5455 1.2663 114DOPE C31414691 1.911 1.944 3.789 0.4774 -0.2267 -0.0793 114DOPE H14X14692 1.895 2.054 3.796 -1.1568 -0.4493 0.0858 114DOPE H14Y14693 1.882 1.893 3.883 -0.3360 -0.6135 -0.5245 114DOPE C31514694 1.830 1.901 3.666 0.1867 -0.2193 0.1078 114DOPE H15X14695 1.833 1.790 3.663 -0.8033 -0.2234 -1.2182 114DOPE H15Y14696 1.866 1.947 3.572 -1.2780 2.9361 0.9585 114DOPE C31614697 1.681 1.937 3.666 0.1869 -0.2200 -0.1295 114DOPE H16X14698 1.647 1.921 3.770 -0.6555 1.8806 -0.0297 114DOPE H16Y14699 1.660 2.046 3.658 -1.7904 -0.4963 0.8584 114DOPE C31714700 1.608 1.858 3.557 -0.3120 -0.1244 0.1340 114DOPE H17X14701 1.646 1.887 3.457 1.6475 1.5003 1.2546 114DOPE H17Y14702 1.631 1.750 3.571 2.1378 0.3962 0.7557 114DOPE C31814703 1.456 1.868 3.566 -0.3507 -0.4266 -0.1904 114DOPE H18X14704 1.431 1.976 3.554 -0.3164 -0.5829 -1.9798 114DOPE H18Y14705 1.412 1.818 3.477 -1.3657 -0.2855 0.2223 114DOPE H18Z14706 1.411 1.820 3.655 1.2257 -0.5034 0.5984 115DOPE N14707 4.583 4.467 2.583 -0.7309 0.2006 -0.1399 115DOPE HN114708 4.596 4.364 2.582 1.9728 0.4035 2.0225 115DOPE HN214709 4.486 4.483 2.616 -0.9282 1.9883 -1.4342 115DOPE HN314710 4.586 4.498 2.484 0.9678 -1.1723 -0.5746 115DOPE C1214711 4.678 4.542 2.674 -0.3748 0.2751 -0.5688 115DOPE H12A14712 4.778 4.517 2.633 -0.0629 -1.8324 1.3035 115DOPE H12B14713 4.664 4.499 2.775 -0.4910 0.9989 -0.2727 115DOPE C1114714 4.650 4.692 2.677 -0.3316 0.2733 -0.0500 115DOPE H11A14715 4.736 4.734 2.734 -0.2444 0.7342 -0.5112 115DOPE H11B14716 4.550 4.715 2.721 -0.0864 -1.8263 1.7920 115DOPE P14717 4.748 4.847 2.500 -0.0044 -0.0623 0.2495 115DOPE O1314718 4.886 4.800 2.527 0.0126 -0.0814 0.1288 115DOPE O1414719 4.721 4.876 2.358 -0.3110 -0.2419 0.2692 115DOPE O1114720 4.720 4.970 2.598 0.2426 0.3848 -0.2351 115DOPE O1214721 4.646 4.730 2.540 0.0406 -0.2579 -0.2087 115DOPE C114722 4.600 5.046 2.576 0.1719 0.3756 0.1110 115DOPE HA14723 4.511 4.983 2.555 0.0510 0.2404 0.9863 115DOPE HB14724 4.624 5.119 2.496 2.1132 -0.6837 -0.3549 115DOPE C214725 4.551 5.106 2.709 0.4244 0.3304 0.2257 115DOPE HS14726 4.625 5.180 2.745 0.4602 0.4897 -0.1695 115DOPE O2114727 4.544 4.995 2.799 -0.4278 0.0326 -0.1973 115DOPE C2114728 4.553 5.022 2.930 -0.1877 0.0997 -0.2269 115DOPE O2214729 4.562 5.136 2.971 -0.3386 -0.2220 0.7081 115DOPE C2214730 4.550 4.896 3.015 -0.0838 0.1458 -0.1568 115DOPE H2R14731 4.537 4.814 2.941 1.6463 -0.4523 0.1566 115DOPE H2S14732 4.469 4.903 3.091 -0.9785 1.0762 -1.1684 115DOPE C314733 4.415 5.174 2.690 0.4129 0.4164 0.6110 115DOPE HX14734 4.345 5.088 2.680 1.1397 -0.1917 0.6555 115DOPE HY14735 4.407 5.226 2.592 -0.0873 -0.1078 0.3618 115DOPE O3114736 4.373 5.255 2.800 -0.1408 -0.0161 0.7258 115DOPE C3114737 4.420 5.380 2.803 -0.6910 0.2129 0.1383 115DOPE O3214738 4.500 5.428 2.725 -0.4303 0.1013 0.3353 115DOPE C3214739 4.366 5.451 2.927 0.1285 0.1425 0.5389 115DOPE H2X14740 4.268 5.490 2.895 -0.6105 -0.8551 1.5231 115DOPE H2Y14741 4.338 5.389 3.014 0.4766 0.7952 1.1223 115DOPE C2314742 4.692 4.882 3.071 -0.1759 0.0846 0.0607 115DOPE H3R14743 4.724 4.950 3.152 0.3136 1.6664 -1.4051 115DOPE H3S14744 4.762 4.887 2.985 1.0273 -0.1827 1.0029 115DOPE C2414745 4.719 4.746 3.137 -0.2464 0.0727 0.0641 115DOPE H4R14746 4.639 4.731 3.213 -2.3873 -0.0325 -2.0577 115DOPE H4S14747 4.816 4.751 3.190 -0.1351 -1.3935 0.0478 115DOPE C2514748 4.731 4.632 3.035 0.3072 0.1986 -0.0141 115DOPE H5R14749 4.798 4.656 2.950 0.4495 -0.6639 -0.1506 115DOPE H5S14750 4.630 4.609 2.996 0.0360 -1.3076 1.4659 115DOPE C2614751 4.778 4.499 3.093 0.2213 0.1833 0.0205 115DOPE H6R14752 4.889 4.509 3.090 0.2844 -0.3431 0.4608 115DOPE H6S14753 4.763 4.416 3.020 0.8380 1.1567 -1.2589 115DOPE C2714754 4.733 4.460 3.234 -0.6017 0.3836 -0.1840 115DOPE H7R14755 4.624 4.436 3.231 -0.1435 -1.7901 -1.2039 115DOPE H7S14756 4.757 4.548 3.298 0.6680 -1.0776 1.4440 115DOPE C2814757 4.806 4.342 3.298 -0.4120 0.7785 0.3366 115DOPE H8R14758 4.781 4.347 3.406 -1.1415 -0.5625 0.2500 115DOPE H8S14759 4.916 4.356 3.294 -0.0334 -1.8238 -2.1403 115DOPE C2914760 4.748 4.224 3.224 -0.0058 0.5007 0.4564 115DOPE H9R14761 4.782 4.234 3.120 2.1429 1.4615 1.1952 115DOPE C21014762 4.683 4.118 3.273 0.6941 0.0004 0.3107 115DOPE H10R14763 4.647 4.041 3.203 -2.5960 2.1032 -0.5396 115DOPE C21114764 4.646 4.105 3.418 0.3218 -0.0693 0.2100 115DOPE H11R14765 4.553 4.044 3.420 -0.0554 0.4490 -0.7449 115DOPE H11S14766 4.613 4.203 3.461 -0.1706 -1.0593 2.1931 115DOPE C21214767 4.751 4.046 3.511 0.3204 -0.4039 -0.0018 115DOPE H12R14768 4.831 4.121 3.528 -0.3019 0.5982 -1.3773 115DOPE H12S14769 4.784 3.950 3.464 -0.7194 -1.0055 0.4548 115DOPE C21314770 4.689 3.998 3.642 0.1353 -0.9920 -0.2999 115DOPE H13R14771 4.644 3.899 3.620 2.2137 -1.8666 -0.9017 115DOPE H13S14772 4.618 4.071 3.686 -0.2177 -1.3529 -0.2661 115DOPE C21414773 4.797 3.972 3.747 0.1410 0.3606 0.0511 115DOPE H14R14774 4.868 4.057 3.750 -0.3294 0.9037 -2.2313 115DOPE H14S14775 4.866 3.890 3.716 -0.5330 -0.6127 1.0419 115DOPE C21514776 4.739 3.942 3.885 0.2886 0.2454 0.0896 115DOPE H15R14777 4.655 4.014 3.900 0.0544 -0.5056 3.2218 115DOPE H15S14778 4.813 3.975 3.961 1.4275 -0.5214 -0.6608 115DOPE C21614779 4.693 3.798 3.909 -0.0255 0.3379 0.0548 115DOPE H16R14780 4.780 3.741 3.871 -0.6649 0.9371 -2.5047 115DOPE H16S14781 4.601 3.772 3.852 -0.4955 0.6345 0.6643 115DOPE C21714782 4.682 3.772 4.060 -0.2189 0.0785 -0.0031 115DOPE H17R14783 4.595 3.830 4.096 -0.9239 -0.7172 -0.4027 115DOPE H17S14784 4.774 3.812 4.108 -0.6552 2.4687 -1.0013 115DOPE C21814785 4.648 3.629 4.099 -0.4859 0.1593 0.0618 115DOPE H18R14786 4.724 3.558 4.060 -1.2446 -2.0674 2.3084 115DOPE H18S14787 4.551 3.608 4.050 -0.1064 -0.3700 -0.4757 115DOPE H18T14788 4.644 3.610 4.209 -1.4969 0.0814 0.0178 115DOPE C3314789 4.455 5.567 2.972 -0.2242 0.4372 0.4831 115DOPE H3X14790 4.477 5.634 2.887 2.2866 0.2258 0.8655 115DOPE H3Y14791 4.559 5.527 2.983 -0.5347 0.1367 2.7897 115DOPE C3414792 4.406 5.628 3.103 -0.9178 0.1054 0.3827 115DOPE H4X14793 4.464 5.722 3.120 0.0548 -0.7259 1.9572 115DOPE H4Y14794 4.299 5.654 3.087 -0.2016 3.5049 0.3342 115DOPE C3514795 4.432 5.546 3.230 -0.0464 -0.2853 -0.0433 115DOPE H5X14796 4.540 5.519 3.234 -0.4682 -1.9420 1.5114 115DOPE H5Y14797 4.365 5.458 3.227 1.1725 -1.2284 -2.4052 115DOPE C3614798 4.399 5.627 3.356 -0.2246 -0.4046 -0.0146 115DOPE H6X14799 4.303 5.682 3.349 -0.1790 -0.3232 -0.0002 115DOPE H6Y14800 4.484 5.697 3.349 1.9102 -2.9405 -1.7297 115DOPE C3714801 4.412 5.530 3.474 -0.1143 -0.4171 -0.0378 115DOPE H7X14802 4.334 5.452 3.477 0.4574 -0.9515 1.3211 115DOPE H7Y14803 4.515 5.488 3.483 -0.2149 -0.9188 -1.0834 115DOPE C3814804 4.386 5.599 3.608 0.1844 -0.2022 -0.0881 115DOPE H8X14805 4.279 5.627 3.605 0.7305 2.0205 -2.4566 115DOPE H8Y14806 4.437 5.697 3.605 0.2956 -0.2752 -0.8587 115DOPE C3914807 4.407 5.500 3.719 -0.4565 -0.0731 0.1521 115DOPE H9X14808 4.357 5.405 3.698 0.2784 -0.1638 -1.3384 115DOPE C31014809 4.488 5.517 3.825 -0.4230 -0.1040 0.1316 115DOPE H10X14810 4.503 5.430 3.891 0.0487 -1.6337 -1.8704 115DOPE C31114811 4.567 5.638 3.866 0.0940 -0.4037 0.0335 115DOPE H11X14812 4.556 5.724 3.797 -0.3853 0.7710 1.5155 115DOPE H11Y14813 4.540 5.664 3.970 2.5388 -0.3084 0.7012 115DOPE C31214814 4.715 5.600 3.868 0.2527 0.2074 0.2008 115DOPE H12X14815 4.776 5.691 3.879 1.6774 -0.7268 0.2896 115DOPE H12Y14816 4.750 5.555 3.773 1.7090 2.0172 -0.1658 115DOPE C31314817 4.752 5.504 3.982 0.0567 0.2646 0.3142 115DOPE H13X14818 4.734 5.402 3.944 0.2420 0.6690 -0.9107 115DOPE H13Y14819 4.858 5.526 4.009 -0.2082 2.6725 -0.3469 115DOPE C31414820 4.682 5.506 4.118 -0.4191 0.1381 0.0704 115DOPE H14X14821 4.578 5.473 4.098 -0.3510 -0.1236 0.1346 115DOPE H14Y14822 4.678 5.608 4.161 -3.0400 0.4205 -0.6395 115DOPE C31514823 4.762 5.414 4.211 -0.0289 0.3913 -0.0150 115DOPE H15X14824 4.783 5.319 4.158 -1.2161 0.8894 -1.4540 115DOPE H15Y14825 4.859 5.464 4.232 0.4445 -0.1447 -0.8437 115DOPE C31614826 4.704 5.388 4.350 0.3015 -0.2150 0.0154 115DOPE H16X14827 4.611 5.328 4.343 0.9519 -1.0960 -1.3099 115DOPE H16Y14828 4.670 5.482 4.400 -0.0435 -0.3246 -0.0121 115DOPE C31714829 4.807 5.333 4.448 0.5077 -0.1484 -0.1634 115DOPE H17X14830 4.853 5.416 4.507 0.2655 0.5337 -0.9198 115DOPE H17Y14831 4.883 5.298 4.376 -0.8153 0.4107 -1.8807 115DOPE C31814832 4.751 5.232 4.549 0.7230 -0.6431 -0.5376 115DOPE H18X14833 4.700 5.149 4.496 -1.9602 0.7950 -0.3753 115DOPE H18Y14834 4.845 5.202 4.600 0.3488 -0.6079 0.1738 115DOPE H18Z14835 4.686 5.280 4.625 1.1525 2.3659 -1.9110 116DOPE N14836 1.775 1.094 2.466 -0.3037 0.1303 -0.0895 116DOPE HN114837 1.800 1.108 2.366 2.6429 0.9123 0.6625 116DOPE HN214838 1.766 0.991 2.481 0.0007 0.2161 0.7529 116DOPE HN314839 1.680 1.124 2.494 -0.4796 0.7428 -1.2716 116DOPE C1214840 1.886 1.141 2.556 -0.4289 -0.2413 0.2636 116DOPE H12A14841 1.879 1.252 2.558 -2.1795 -0.3116 -0.4154 116DOPE H12B14842 1.984 1.112 2.512 0.2440 0.3934 1.2798 116DOPE C1114843 1.880 1.072 2.693 -0.5339 0.2713 0.5211 116DOPE H11A14844 1.787 1.089 2.751 -0.2334 2.1023 0.5323 116DOPE H11B14845 1.966 1.111 2.750 0.8411 -0.9858 -0.6132 116DOPE P14846 2.037 0.865 2.720 -0.3773 0.0408 -0.3136 116DOPE O1314847 2.029 0.717 2.712 0.2600 0.0016 -0.2948 116DOPE O1414848 2.150 0.930 2.650 0.2859 0.0354 0.7154 116DOPE O1114849 2.047 0.901 2.876 0.0412 0.2367 -0.3839 116DOPE O1214850 1.897 0.931 2.680 -0.2786 0.3564 -0.1423 116DOPE C114851 2.167 0.873 2.949 -0.5180 -0.8368 0.1439 116DOPE HA14852 2.173 0.918 3.051 0.8554 -0.1756 -0.2064 116DOPE HB14853 2.250 0.918 2.890 -1.2323 -0.5878 -0.6902 116DOPE C214854 2.193 0.723 2.970 -0.2731 -0.8461 -0.2270 116DOPE HS14855 2.200 0.668 2.874 -2.2215 -0.8182 -0.4287 116DOPE O2114856 2.082 0.678 3.048 -0.3281 0.1669 0.2972 116DOPE C2114857 2.079 0.545 3.058 -0.1807 0.1225 -0.2006 116DOPE O2214858 2.148 0.469 2.993 -0.2433 0.4287 -0.6281 116DOPE C2214859 1.964 0.518 3.154 -0.3201 0.0551 -0.3854 116DOPE H2R14860 1.894 0.454 3.097 -1.0952 1.1603 -0.6983 116DOPE H2S14861 1.909 0.606 3.194 -1.6579 -1.5147 1.4614 116DOPE C314862 2.329 0.703 3.038 -0.2782 0.1308 0.0815 116DOPE HX14863 2.417 0.723 2.973 0.3033 0.4239 0.9321 116DOPE HY14864 2.340 0.598 3.072 -1.6907 0.0511 0.3248 116DOPE O3114865 2.344 0.785 3.155 0.4118 0.2557 -0.0906 116DOPE C3114866 2.350 0.732 3.277 -0.2322 0.3243 -0.0282 116DOPE O3214867 2.342 0.613 3.304 -0.1043 0.4183 0.4284 116DOPE C3214868 2.355 0.842 3.381 -0.0120 0.3299 -0.0451 116DOPE H2X14869 2.435 0.916 3.357 0.3907 -0.4390 -1.1493 116DOPE H2Y14870 2.261 0.902 3.383 1.0680 2.1321 1.7898 116DOPE C2314871 2.023 0.442 3.273 -0.4440 -0.1585 -0.4614 116DOPE H3R14872 2.129 0.413 3.258 -0.4374 1.2665 -4.1050 116DOPE H3S14873 1.957 0.355 3.294 0.7406 -0.7112 1.2420 116DOPE C2414874 2.015 0.527 3.400 0.3610 -0.2049 -0.3731 116DOPE H4R14875 1.912 0.569 3.389 0.3585 -0.4487 -1.4454 116DOPE H4S14876 2.082 0.615 3.387 0.1681 0.0281 0.1605 116DOPE C2514877 2.024 0.444 3.527 -0.1293 0.5750 0.1856 116DOPE H5R14878 2.119 0.386 3.515 -0.4761 -0.2905 1.4536 116DOPE H5S14879 1.936 0.379 3.547 -0.7053 0.8498 -1.3833 116DOPE C2614880 2.022 0.529 3.654 -0.1713 0.1477 0.4727 116DOPE H6R14881 1.929 0.590 3.654 -1.3392 -1.5262 -0.6547 116DOPE H6S14882 2.107 0.600 3.656 1.9470 -2.2654 0.5302 116DOPE C2714883 1.997 0.438 3.775 0.2504 -0.6019 0.0050 116DOPE H7R14884 2.058 0.346 3.773 1.9937 0.5063 0.1109 116DOPE H7S14885 1.891 0.405 3.782 -0.8629 2.9071 2.7905 116DOPE C2814886 2.023 0.505 3.911 -0.4029 -0.2582 -0.0329 116DOPE H8R14887 1.938 0.573 3.932 -0.0720 -0.9164 4.1659 116DOPE H8S14888 2.112 0.569 3.928 -0.5857 -0.4963 1.9783 116DOPE C2914889 2.012 0.404 4.021 0.1745 -0.3691 -0.0743 116DOPE H9R14890 2.048 0.304 3.991 0.0823 0.2477 -2.3893 116DOPE C21014891 1.965 0.435 4.143 -0.5198 0.2685 -0.4935 116DOPE H10R14892 1.958 0.360 4.223 0.3004 1.1793 0.4583 116DOPE C21114893 1.921 0.569 4.193 -0.0948 0.1625 0.1753 116DOPE H11R14894 1.818 0.546 4.227 -0.5037 1.0552 -0.4386 116DOPE H11S14895 1.917 0.642 4.109 1.1558 0.1100 0.0411 116DOPE C21214896 2.002 0.629 4.308 0.0744 0.2484 0.0125 116DOPE H12R14897 2.103 0.633 4.262 -0.3371 -3.5907 -1.5863 116DOPE H12S14898 2.011 0.552 4.388 -1.1337 1.0593 0.9751 116DOPE C21314899 1.947 0.761 4.365 -0.4029 0.0081 0.1151 116DOPE H13R14900 1.852 0.733 4.414 0.3181 -0.5112 1.2560 116DOPE H13S14901 1.928 0.832 4.282 0.6356 0.9595 0.6680 116DOPE C21414902 2.036 0.832 4.467 -0.3200 -0.1556 0.1578 116DOPE H14R14903 2.069 0.750 4.533 0.5349 -0.4250 -0.5795 116DOPE H14S14904 1.979 0.904 4.529 2.3030 1.7616 0.5089 116DOPE C21514905 2.156 0.905 4.406 -0.3539 -0.0120 0.2624 116DOPE H15R14906 2.103 0.985 4.352 -1.5477 -0.4321 0.7877 116DOPE H15S14907 2.205 0.831 4.339 -0.9776 -1.2453 1.1256 116DOPE C21614908 2.254 0.953 4.514 -0.1957 -0.3455 0.2708 116DOPE H16R14909 2.193 1.016 4.582 1.6685 0.7681 0.9829 116DOPE H16S14910 2.333 1.016 4.467 0.1357 0.2230 1.5543 116DOPE C21714911 2.324 0.852 4.604 1.0904 0.4815 0.2316 116DOPE H17R14912 2.251 0.804 4.673 1.3810 0.2347 0.3720 116DOPE H17S14913 2.390 0.907 4.675 -0.1909 0.0054 1.8635 116DOPE C21814914 2.410 0.739 4.547 0.0691 -0.3735 0.3511 116DOPE H18R14915 2.452 0.688 4.636 3.5591 -0.0035 -0.9339 116DOPE H18S14916 2.496 0.783 4.493 -0.5900 -0.3105 -0.6818 116DOPE H18T14917 2.354 0.663 4.487 -0.0947 -0.3221 0.4380 116DOPE C3314918 2.378 0.783 3.520 0.0463 -0.3515 -0.3443 116DOPE H3X14919 2.462 0.710 3.518 -0.6467 -1.1786 0.0823 116DOPE H3Y14920 2.286 0.725 3.545 0.6189 -0.5950 1.3945 116DOPE C3414921 2.419 0.879 3.632 0.0218 -0.6678 -0.0627 116DOPE H4X14922 2.522 0.916 3.615 -0.3239 1.6162 2.2468 116DOPE H4Y14923 2.349 0.965 3.628 -0.7790 -1.2301 1.0441 116DOPE C3514924 2.395 0.823 3.773 -0.2823 -0.1888 0.0777 116DOPE H5X14925 2.428 0.717 3.764 0.8342 0.1837 -0.3126 116DOPE H5Y14926 2.285 0.827 3.789 -0.0208 2.6269 1.8789 116DOPE C3614927 2.471 0.897 3.882 -0.1625 0.1302 -0.2191 116DOPE H6X14928 2.573 0.854 3.895 -0.0047 1.0849 2.3919 116DOPE H6Y14929 2.479 1.003 3.850 -0.3084 0.4918 0.8758 116DOPE C3714930 2.399 0.877 4.016 -0.1838 0.2960 -0.2057 116DOPE H7X14931 2.294 0.914 4.012 0.0702 1.3465 1.7727 116DOPE H7Y14932 2.390 0.769 4.042 1.8051 0.1227 -0.0796 116DOPE C3814933 2.457 0.953 4.135 -0.3345 -0.0704 0.1034 116DOPE H8X14934 2.559 0.912 4.148 -0.6148 -1.4212 -1.6002 116DOPE H8Y14935 2.387 0.924 4.216 -1.2586 -0.9226 -0.9609 116DOPE C3914936 2.468 1.102 4.121 -0.5920 -0.0371 0.2336 116DOPE H9X14937 2.450 1.144 4.021 -2.9142 -0.4800 0.4229 116DOPE C31014938 2.502 1.183 4.222 1.1711 0.1373 -0.4491 116DOPE H10X14939 2.513 1.291 4.203 1.2967 -0.1566 -2.1693 116DOPE C31114940 2.552 1.133 4.355 0.1530 0.7209 0.1657 116DOPE H11X14941 2.527 1.026 4.372 0.4653 0.5052 -0.7227 116DOPE H11Y14942 2.662 1.126 4.350 0.0392 -0.6383 -1.4211 116DOPE C31214943 2.502 1.209 4.479 0.1446 0.2062 0.4808 116DOPE H12X14944 2.521 1.146 4.569 -0.9651 -0.2357 0.4164 116DOPE H12Y14945 2.393 1.222 4.468 0.0732 -1.6483 -1.8491 116DOPE C31314946 2.580 1.338 4.505 0.2796 0.1942 0.1465 116DOPE H13X14947 2.582 1.405 4.416 1.1572 1.2029 0.9118 116DOPE H13Y14948 2.684 1.313 4.532 0.0712 1.7565 2.6842 116DOPE C31414949 2.525 1.430 4.615 -0.2323 0.7137 -0.5304 116DOPE H14X14950 2.532 1.377 4.712 -1.6503 0.6479 -0.4416 116DOPE H14Y14951 2.422 1.464 4.593 -0.4798 0.7627 0.6628 116DOPE C31514952 2.606 1.558 4.632 -0.1364 0.5999 -0.1261 116DOPE H15X14953 2.715 1.539 4.643 -0.2491 0.4340 0.8365 116DOPE H15Y14954 2.599 1.601 4.530 -0.8749 -2.6233 -1.5497 116DOPE C31614955 2.551 1.645 4.745 0.0758 0.4659 0.0807 116DOPE H16X14956 2.553 1.600 4.847 -2.3964 0.3324 0.1293 116DOPE H16Y14957 2.613 1.738 4.745 -2.3813 2.2603 -2.1771 116DOPE C31714958 2.404 1.682 4.724 -0.0976 -0.0687 0.3420 116DOPE H17X14959 2.341 1.592 4.738 -0.8098 0.6962 2.4844 116DOPE H17Y14960 2.384 1.758 4.803 2.5225 0.5951 0.4661 116DOPE C31814961 2.370 1.746 4.589 0.7175 -0.1102 0.1092 116DOPE H18X14962 2.432 1.836 4.568 -0.5545 0.3861 -1.6624 116DOPE H18Y14963 2.402 1.678 4.508 0.1519 -0.3415 0.0764 116DOPE H18Z14964 2.262 1.769 4.579 1.2184 2.2954 -0.4508 117DOPE N14965 5.001 2.291 2.324 0.7151 0.1356 -0.0380 117DOPE HN114966 5.025 2.200 2.368 -0.0566 1.2011 2.7796 117DOPE HN214967 4.929 2.278 2.250 -1.5239 0.5932 1.9548 117DOPE HN314968 5.092 2.324 2.284 0.9553 0.6714 0.9220 117DOPE C1214969 4.953 2.388 2.429 0.0121 -0.1115 -0.1272 117DOPE H12A14970 4.870 2.337 2.481 0.2589 1.1767 1.5887 117DOPE H12B14971 4.915 2.472 2.367 1.9616 -0.7773 -2.3964 117DOPE C1114972 5.063 2.436 2.524 0.4961 -0.1641 -0.6478 117DOPE H11A14973 5.015 2.489 2.609 0.8350 -0.4001 -0.3042 117DOPE H11B14974 5.123 2.495 2.452 3.6213 -1.0267 1.0533 117DOPE P14975 5.277 2.386 2.631 -0.1070 0.1378 0.2867 117DOPE O1314976 5.254 2.519 2.693 -0.0311 0.5109 -0.4702 117DOPE O1414977 5.364 2.386 2.511 -0.3326 -0.1968 0.1223 117DOPE O1114978 5.328 2.277 2.737 -0.3939 -0.3114 -0.0355 117DOPE O1214979 5.139 2.327 2.578 0.1476 -0.1327 -0.0739 117DOPE C114980 5.301 2.137 2.730 -0.0242 -0.4151 0.4960 117DOPE HA14981 5.360 2.077 2.801 -0.3881 -0.8548 0.4318 117DOPE HB14982 5.317 2.098 2.627 -2.0633 -1.7764 0.6460 117DOPE C214983 5.156 2.095 2.760 -0.4201 -0.3328 -1.1590 117DOPE HS14984 5.093 2.098 2.669 1.0024 -0.1319 -2.1623 117DOPE O2114985 5.111 2.190 2.857 -0.5685 -0.7428 -0.8183 117DOPE C2114986 4.979 2.185 2.874 -0.4408 -0.3169 0.3586 117DOPE O2214987 4.909 2.115 2.802 0.6060 -0.3970 -0.6050 117DOPE C2214988 4.938 2.275 2.990 -0.8167 0.2841 -0.2357 117DOPE H2R14989 4.889 2.367 2.951 -2.9278 0.0235 1.5840 117DOPE H2S14990 5.024 2.312 3.050 -0.5521 3.4865 -2.3280 117DOPE C314991 5.146 1.948 2.806 0.0945 0.0072 0.0751 117DOPE HX14992 5.193 1.899 2.719 0.5568 1.1561 -0.3469 117DOPE HY14993 5.041 1.913 2.819 -0.1047 0.6954 0.4044 117DOPE O3114994 5.236 1.918 2.913 -0.0217 0.5720 0.3396 117DOPE C3114995 5.180 1.920 3.034 -0.6010 -0.4410 0.1063 117DOPE O3214996 5.066 1.958 3.054 -0.3950 0.3407 -0.1878 117DOPE C3214997 5.284 1.880 3.138 -0.6537 -0.2522 0.2331 117DOPE H2X14998 5.309 1.772 3.130 1.6189 0.3633 -3.6354 117DOPE H2Y14999 5.379 1.932 3.115 -0.4640 -0.4465 0.5641 117DOPE C2315000 4.845 2.199 3.084 0.2356 -0.8680 -0.1039 117DOPE H3R15001 4.814 2.104 3.036 -1.2125 0.5374 -2.1009 117DOPE H3S15002 4.751 2.258 3.089 0.2016 -0.6311 -2.5898 117DOPE C2415003 4.898 2.176 3.226 -0.4228 0.5168 0.3841 117DOPE H4R15004 4.994 2.126 3.201 -0.9296 -1.2549 1.7158 117DOPE H4S15005 4.845 2.094 3.280 1.2427 -0.5257 0.4995 117DOPE C2515006 4.933 2.304 3.301 0.0857 0.5376 0.1158 117DOPE H5R15007 4.848 2.345 3.360 -0.2622 -1.0352 0.7481 117DOPE H5S15008 4.966 2.387 3.235 2.0838 -1.1637 -1.1403 117DOPE C2615009 5.049 2.290 3.401 0.0969 -0.2634 -0.0043 117DOPE H6R15010 5.140 2.315 3.342 0.0087 1.3791 0.5054 117DOPE H6S15011 5.047 2.186 3.440 0.6880 -0.5959 -0.8322 117DOPE C2715012 5.031 2.384 3.520 0.0149 0.0457 -0.2599 117DOPE H7R15013 4.939 2.366 3.578 0.4060 -0.0654 0.3333 117DOPE H7S15014 5.022 2.485 3.473 -0.4140 0.4059 0.5823 117DOPE C2815015 5.147 2.378 3.619 0.2086 0.0211 -0.4872 117DOPE H8R15016 5.167 2.270 3.637 0.3871 0.2975 1.1197 117DOPE H8S15017 5.101 2.412 3.714 0.4098 -0.7654 -0.0982 117DOPE C2915018 5.271 2.453 3.580 0.3298 -0.0387 -0.2198 117DOPE H9R15019 5.293 2.475 3.474 1.7890 0.0993 0.0890 117DOPE C21015020 5.371 2.490 3.661 -0.2075 0.7364 0.0982 117DOPE H10R15021 5.456 2.541 3.612 0.8200 -1.6889 -0.7813 117DOPE C21115022 5.386 2.459 3.807 0.0914 -0.2956 -0.1483 117DOPE H11R15023 5.286 2.447 3.854 -0.4698 1.8375 -0.7295 117DOPE H11S15024 5.440 2.541 3.859 -0.4667 -1.3328 2.2198 117DOPE C21215025 5.462 2.327 3.822 0.2885 -0.1503 0.1411 117DOPE H12R15026 5.562 2.328 3.773 1.5691 -2.1191 2.4609 117DOPE H12S15027 5.403 2.249 3.769 0.5096 -1.0067 1.1030 117DOPE C21315028 5.479 2.282 3.968 -0.1285 0.1522 0.2830 117DOPE H13R15029 5.379 2.283 4.015 0.2854 1.3967 1.1894 117DOPE H13S15030 5.538 2.358 4.024 -0.5457 0.9382 -0.3134 117DOPE C21415031 5.539 2.143 3.987 -0.0386 0.1374 -0.0936 117DOPE H14R15032 5.649 2.143 3.975 -0.1437 0.2800 -1.1830 117DOPE H14S15033 5.504 2.073 3.908 1.5875 -2.2150 1.1378 117DOPE C21515034 5.508 2.096 4.130 0.4931 0.6113 0.1816 117DOPE H15R15035 5.528 1.987 4.145 1.7492 1.1690 3.0670 117DOPE H15S15036 5.399 2.111 4.136 0.1339 -1.2707 -0.7926 117DOPE C21615037 5.584 2.174 4.237 1.2380 -0.1743 0.2467 117DOPE H16R15038 5.550 2.279 4.224 -0.3522 -0.6881 0.0312 117DOPE H16S15039 5.693 2.167 4.216 1.2641 3.1944 -1.5568 117DOPE C21715040 5.540 2.136 4.378 0.6720 1.0115 0.4060 117DOPE H17R15041 5.615 2.199 4.432 0.7240 0.7902 0.5951 117DOPE H17S15042 5.557 2.027 4.391 -0.2572 0.6047 -1.4892 117DOPE C21815043 5.401 2.177 4.425 -0.0435 -0.3455 -0.4712 117DOPE H18R15044 5.321 2.135 4.359 0.9558 0.4397 -2.2448 117DOPE H18S15045 5.409 2.287 4.433 3.5354 -0.4898 -0.5741 117DOPE H18T15046 5.388 2.146 4.531 -1.0101 -0.9464 -0.7466 117DOPE C3315047 5.220 1.916 3.272 -0.3682 0.3350 0.2143 117DOPE H3X15048 5.124 1.860 3.271 -0.1815 0.0192 -0.9853 117DOPE H3Y15049 5.197 2.024 3.267 -0.6287 0.4473 2.4940 117DOPE C3415050 5.309 1.896 3.395 -0.1969 -0.2082 0.0048 117DOPE H4X15051 5.403 1.952 3.375 0.3102 -0.4738 1.5120 117DOPE H4Y15052 5.326 1.787 3.412 -1.0839 -0.2140 0.9733 117DOPE C3515053 5.241 1.960 3.516 -0.1132 0.1886 -0.1564 117DOPE H5X15054 5.148 1.902 3.538 0.7611 -1.8106 -1.4189 117DOPE H5Y15055 5.205 2.062 3.491 -2.5637 -0.7871 -0.8787 117DOPE C3615056 5.329 1.954 3.641 -0.4974 -0.4907 0.0922 117DOPE H6X15057 5.252 1.985 3.715 -0.7969 0.6591 -0.6672 117DOPE H6Y15058 5.414 2.025 3.633 -0.6033 -0.2025 1.3056 117DOPE C3715059 5.372 1.812 3.677 -0.1593 -0.4710 -0.2278 117DOPE H7X15060 5.283 1.747 3.663 0.0986 -2.1374 4.1321 117DOPE H7Y15061 5.455 1.795 3.605 2.7148 -1.2336 2.9563 117DOPE C3815062 5.410 1.795 3.824 0.4941 0.3960 -0.2849 117DOPE H8X15063 5.492 1.864 3.852 -0.8402 1.9688 -0.1268 117DOPE H8Y15064 5.318 1.824 3.878 0.6556 3.3232 -1.4043 117DOPE C3915065 5.450 1.653 3.855 -0.1610 0.2662 -0.0179 117DOPE H9X15066 5.448 1.579 3.773 1.2298 0.3913 -0.1844 117DOPE C31015067 5.474 1.606 3.978 0.0215 -0.0563 -0.1735 117DOPE H10X15068 5.508 1.503 3.989 0.3675 -0.0323 -0.9915 117DOPE C31115069 5.479 1.680 4.109 0.1292 -0.1110 -0.1466 117DOPE H11X15070 5.559 1.643 4.176 1.0054 -0.2653 -1.2588 117DOPE H11Y15071 5.493 1.790 4.099 -0.0714 -0.0466 0.2406 117DOPE C31215072 5.343 1.673 4.179 -0.3411 0.1705 -1.0197 117DOPE H12X15073 5.307 1.569 4.195 0.0959 0.1557 -0.0728 117DOPE H12Y15074 5.259 1.722 4.125 0.3802 1.1290 -1.2828 117DOPE C31315075 5.348 1.729 4.321 0.0239 -0.6613 -0.6978 117DOPE H13X15076 5.364 1.838 4.306 -0.5705 -0.4311 0.2287 117DOPE H13Y15077 5.438 1.688 4.371 -0.8721 0.1724 1.7952 117DOPE C31415078 5.224 1.685 4.399 0.2231 -0.0268 -0.0108 117DOPE H14X15079 5.136 1.738 4.357 -0.3428 0.9030 2.1809 117DOPE H14Y15080 5.192 1.578 4.403 0.0664 0.0314 0.3257 117DOPE C31515081 5.227 1.736 4.544 -0.0994 -0.4634 0.1520 117DOPE H15X15082 5.312 1.696 4.603 1.9558 1.4634 -1.3403 117DOPE H15Y15083 5.250 1.844 4.541 0.9352 -0.6724 0.3660 117DOPE C31615084 5.089 1.716 4.609 -0.4250 -0.0760 -0.4100 117DOPE H16X15085 5.006 1.739 4.539 -0.8556 0.5041 0.2814 117DOPE H16Y15086 5.085 1.611 4.643 -0.5172 -0.0379 -0.3036 117DOPE C31715087 5.085 1.794 4.740 -0.0630 -0.2068 -0.3201 117DOPE H17X15088 5.184 1.773 4.788 1.1449 2.5423 -1.4212 117DOPE H17Y15089 5.083 1.905 4.735 -1.7865 -0.2351 -0.8176 117DOPE C31815090 4.975 1.747 4.836 -0.2816 0.6065 -0.1649 117DOPE H18X15091 4.879 1.791 4.802 -0.7555 -0.1754 0.1332 117DOPE H18Y15092 4.962 1.639 4.812 1.1916 0.7079 -1.5964 117DOPE H18Z15093 4.999 1.763 4.943 -3.4596 -1.4149 0.9997 118DOPE N15094 4.805 1.758 2.028 -0.2654 -0.1748 0.4225 118DOPE HN115095 4.720 1.742 1.971 -0.1760 -0.9206 0.4974 118DOPE HN215096 4.887 1.731 1.970 -1.0900 1.3753 -1.5823 118DOPE HN315097 4.796 1.684 2.100 1.8392 -1.6286 -0.7283 118DOPE C1215098 4.814 1.900 2.078 -0.1722 -0.1559 0.3518 118DOPE H12A15099 4.721 1.929 2.132 -0.4515 1.8360 -1.0730 118DOPE H12B15100 4.815 1.961 1.985 -1.0496 1.1822 1.1745 118DOPE C1115101 4.941 1.921 2.161 -0.0257 0.0401 0.0786 118DOPE H11A15102 4.950 2.032 2.167 0.0381 0.0336 0.1000 118DOPE H11B15103 5.027 1.890 2.097 0.7747 2.6284 -0.2361 118DOPE P15104 5.061 1.896 2.381 -0.3669 -0.1374 -0.3165 118DOPE O1315105 5.037 2.039 2.411 -0.1022 -0.2223 0.2994 118DOPE O1415106 5.187 1.864 2.311 -0.2585 -0.2292 -0.0802 118DOPE O1115107 5.046 1.806 2.512 0.4959 -0.2597 -0.3015 118DOPE O1215108 4.942 1.848 2.284 -0.3880 -0.3872 -0.1689 118DOPE C115109 5.012 1.667 2.504 0.5971 -0.3491 0.6212 118DOPE HA15110 5.081 1.612 2.571 0.3950 0.3675 1.4411 118DOPE HB15111 5.017 1.624 2.402 0.8926 0.9155 0.0796 118DOPE C215112 4.867 1.643 2.550 0.3276 -0.3232 -0.1820 118DOPE HS15113 4.794 1.700 2.489 -0.0802 0.5996 1.1158 118DOPE O2115114 4.862 1.684 2.687 -0.4315 0.4571 -0.4340 118DOPE C2115115 4.740 1.710 2.734 -0.3308 -0.1852 0.1983 118DOPE O2215116 4.637 1.679 2.676 -0.3075 -0.6509 0.3995 118DOPE C2215117 4.751 1.781 2.868 0.0961 0.1265 -0.0013 118DOPE H2R15118 4.674 1.860 2.884 -0.2199 -0.0422 -0.6503 118DOPE H2S15119 4.851 1.829 2.877 0.0916 0.4453 -1.3930 118DOPE C315120 4.833 1.495 2.527 0.1158 -0.3257 0.1351 118DOPE HX15121 4.855 1.468 2.422 -2.8081 1.6681 -1.0805 118DOPE HY15122 4.724 1.486 2.544 0.1871 -2.2545 -0.2241 118DOPE O3115123 4.912 1.411 2.613 0.7064 0.2852 0.1970 118DOPE C3115124 4.862 1.289 2.629 0.0841 0.5361 0.1938 118DOPE O3215125 4.758 1.245 2.581 0.3411 0.3499 -0.2017 118DOPE C3215126 4.952 1.209 2.722 0.6272 0.3781 -0.4602 118DOPE H2X15127 4.964 1.106 2.682 2.3887 0.7806 -1.0819 118DOPE H2Y15128 5.053 1.254 2.732 1.2609 -0.9040 -0.8600 118DOPE C2315129 4.735 1.682 2.983 -0.1950 0.3113 0.1184 118DOPE H3R15130 4.813 1.604 2.971 -0.9621 -0.4825 0.1415 118DOPE H3S15131 4.640 1.624 2.975 -2.0048 3.1944 -0.9640 118DOPE C2415132 4.739 1.742 3.124 -0.2869 0.6164 -0.0090 118DOPE H4R15133 4.652 1.809 3.139 -0.8005 0.2942 -1.3355 118DOPE H4S15134 4.835 1.798 3.119 -0.3582 0.8457 0.9556 118DOPE C2515135 4.729 1.640 3.237 -0.2877 0.3871 -0.2153 118DOPE H5R15136 4.819 1.577 3.217 0.3613 0.9297 0.9090 118DOPE H5S15137 4.638 1.577 3.230 -1.3093 1.5742 1.5533 118DOPE C2615138 4.736 1.705 3.375 0.3906 -0.4682 0.1600 118DOPE H6R15139 4.741 1.632 3.460 -0.0140 0.1855 0.7527 118DOPE H6S15140 4.644 1.764 3.391 0.2934 0.0771 -2.0976 118DOPE C2715141 4.861 1.791 3.397 -0.1667 0.4463 -0.2485 118DOPE H7R15142 4.864 1.874 3.323 -0.1500 2.0178 1.4504 118DOPE H7S15143 4.948 1.724 3.382 0.2213 0.4174 1.9228 118DOPE C2815144 4.873 1.861 3.532 -0.1590 -0.1724 0.0733 118DOPE H8R15145 4.964 1.924 3.534 -0.1881 -0.1222 -0.1474 118DOPE H8S15146 4.862 1.786 3.614 -1.2359 -0.7850 -0.6115 118DOPE C2915147 4.760 1.960 3.544 0.2181 0.2767 -0.0823 118DOPE H9R15148 4.681 1.957 3.469 1.0359 0.5677 -0.9769 118DOPE C21015149 4.765 2.065 3.628 -0.2616 0.0403 0.2449 118DOPE H10R15150 4.677 2.131 3.623 -0.4373 -0.2557 -0.7342 118DOPE C21115151 4.876 2.088 3.727 -0.1088 -0.4005 0.1803 118DOPE H11R15152 4.978 2.096 3.685 0.3888 -0.1930 1.3731 118DOPE H11S15153 4.876 2.014 3.811 0.2348 0.0506 0.5864 118DOPE C21215154 4.843 2.218 3.800 0.0358 -0.0147 -0.4368 118DOPE H12R15155 4.740 2.204 3.838 -0.5374 3.0822 -0.5354 118DOPE H12S15156 4.828 2.302 3.729 -0.0013 -0.8741 -1.4636 118DOPE C21315157 4.939 2.261 3.912 -0.2336 0.0073 -0.2130 118DOPE H13R15158 5.039 2.276 3.867 -0.3855 2.1983 0.0602 118DOPE H13S15159 4.941 2.181 3.989 -1.1989 1.6114 1.5631 118DOPE C21415160 4.899 2.388 3.987 0.1771 -0.0042 0.0244 118DOPE H14R15161 4.803 2.363 4.036 0.5900 -0.2340 0.7354 118DOPE H14S15162 4.890 2.473 3.915 -2.1665 -0.1135 0.1381 118DOPE C21515163 4.981 2.425 4.111 0.0242 0.1646 0.0748 118DOPE H15R15164 4.972 2.343 4.186 -0.8211 -0.1021 -0.3006 118DOPE H15S15165 4.928 2.514 4.152 -2.3796 -0.6866 -0.9465 118DOPE C21615166 5.130 2.448 4.086 0.0374 0.0213 0.0206 118DOPE H16R15167 5.154 2.529 4.014 0.3035 0.3148 0.4307 118DOPE H16S15168 5.158 2.352 4.038 -2.3526 -0.9002 0.3473 118DOPE C21715169 5.210 2.481 4.213 0.4032 0.5098 -0.3344 118DOPE H17R15170 5.316 2.467 4.185 0.5408 -0.7323 0.7341 118DOPE H17S15171 5.185 2.415 4.298 -0.6621 1.9347 0.5161 118DOPE C21815172 5.187 2.622 4.267 -0.1205 0.3590 -0.1555 118DOPE H18R15173 5.211 2.700 4.190 1.0569 -1.1344 -1.3540 118DOPE H18S15174 5.250 2.641 4.356 -0.5323 0.2372 0.1646 118DOPE H18T15175 5.080 2.631 4.298 0.4966 -1.8504 3.0920 118DOPE C3315176 4.878 1.215 2.856 0.6716 0.3676 -0.4349 118DOPE H3X15177 4.771 1.187 2.844 0.2877 1.6204 -0.0223 118DOPE H3Y15178 4.872 1.314 2.905 1.1810 0.4428 -0.5245 118DOPE C3415179 4.935 1.115 2.955 0.0359 0.4786 0.0497 118DOPE H4X15180 5.024 1.163 3.001 0.6847 0.0623 -0.7537 118DOPE H4Y15181 4.976 1.018 2.917 -0.4677 0.4491 -0.4263 118DOPE C3515182 4.841 1.082 3.071 -0.2909 0.2670 -0.2745 118DOPE H5X15183 4.898 1.012 3.136 -1.9926 -0.3187 0.6713 118DOPE H5Y15184 4.749 1.038 3.028 -1.6443 0.7055 1.9737 118DOPE C3615185 4.798 1.206 3.151 -0.7062 0.1902 -0.3747 118DOPE H6X15186 4.888 1.253 3.197 1.1227 -1.5095 -2.0207 118DOPE H6Y15187 4.763 1.286 3.081 0.9374 1.4859 0.2122 118DOPE C3715188 4.695 1.170 3.257 -0.0181 -0.2743 0.1431 118DOPE H7X15189 4.628 1.095 3.209 0.2756 0.5323 -1.5970 118DOPE H7Y15190 4.742 1.128 3.349 -0.0085 1.0440 0.7619 118DOPE C3815191 4.612 1.290 3.302 -0.4114 -0.3755 -0.3028 118DOPE H8X15192 4.576 1.334 3.207 2.5353 1.9291 -0.4735 118DOPE H8Y15193 4.683 1.364 3.346 0.9817 -2.1678 0.6023 118DOPE C3915194 4.490 1.258 3.384 -0.0812 -0.6700 0.0766 118DOPE H9X15195 4.497 1.159 3.433 0.9244 -1.0402 -0.7888 118DOPE C31015196 4.377 1.329 3.398 0.2874 -0.0239 -0.1984 118DOPE H10X15197 4.294 1.303 3.465 0.1843 -1.0590 -0.7065 118DOPE C31115198 4.378 1.466 3.337 0.2468 0.1583 0.2050 118DOPE H11X15199 4.387 1.471 3.226 -2.2123 -1.0089 -0.1120 118DOPE H11Y15200 4.466 1.521 3.378 1.5496 -1.0181 -0.8957 118DOPE C31215201 4.250 1.541 3.374 -0.0151 -0.0016 -0.3671 118DOPE H12X15202 4.247 1.535 3.485 -2.2135 1.3820 -0.2832 118DOPE H12Y15203 4.162 1.491 3.328 1.0390 -0.7626 -1.6593 118DOPE C31315204 4.247 1.689 3.333 -0.2282 0.0444 -0.1841 118DOPE H13X15205 4.247 1.701 3.223 -1.3189 -1.6122 -0.4066 118DOPE H13Y15206 4.341 1.723 3.382 -0.5782 -1.4916 1.7090 118DOPE C31415207 4.134 1.765 3.403 -0.1516 -0.1834 0.1915 118DOPE H14X15208 4.040 1.741 3.349 -0.0869 -0.4438 0.1928 118DOPE H14Y15209 4.123 1.730 3.508 -0.5781 1.3901 0.7042 118DOPE C31515210 4.157 1.915 3.381 0.2690 -0.2222 0.3432 118DOPE H15X15211 4.257 1.947 3.417 -0.3470 2.1587 0.1276 118DOPE H15Y15212 4.144 1.950 3.276 -1.4282 0.2635 0.6753 118DOPE C31615213 4.056 2.002 3.456 0.2814 0.0772 0.0134 118DOPE H16X15214 4.084 2.023 3.562 0.9679 1.7315 -0.4630 118DOPE H16Y15215 3.960 1.947 3.466 1.5961 -2.2756 0.3716 118DOPE C31715216 4.036 2.137 3.386 0.1279 0.1085 0.1160 118DOPE H17X15217 3.989 2.208 3.457 0.3696 1.3263 -0.8947 118DOPE H17Y15218 3.970 2.106 3.302 -0.7993 0.2214 0.7962 118DOPE C31815219 4.159 2.215 3.339 -0.2056 0.2766 -0.4843 118DOPE H18X15220 4.204 2.180 3.244 1.0428 -1.8495 0.8128 118DOPE H18Y15221 4.114 2.316 3.322 -0.9451 0.3641 1.6337 118DOPE H18Z15222 4.227 2.216 3.426 -2.0270 -0.5644 1.0156 119DOPE N15223 6.058 4.857 2.209 0.1975 0.1157 0.1180 119DOPE HN115224 6.019 4.875 2.304 1.2406 0.5213 0.4761 119DOPE HN215225 6.154 4.895 2.216 -0.0106 0.6075 0.3719 119DOPE HN315226 6.000 4.917 2.146 0.3734 -0.6738 -0.8226 119DOPE C1215227 6.058 4.718 2.150 -0.2079 0.2784 -0.2762 119DOPE H12A15228 6.141 4.661 2.198 0.1678 -0.6412 -1.9489 119DOPE H12B15229 6.086 4.731 2.043 2.1370 1.0741 0.3562 119DOPE C1115230 5.929 4.638 2.168 0.3100 -0.5427 -0.1223 119DOPE H11A15231 5.945 4.539 2.120 0.0238 -0.5795 -0.1441 119DOPE H11B15232 5.846 4.691 2.116 -0.5420 -0.9749 0.7695 119DOPE P15233 5.774 4.538 2.341 0.0994 -0.0774 0.1141 119DOPE O1315234 5.783 4.406 2.275 -0.0789 0.1436 -0.3523 119DOPE O1415235 5.655 4.621 2.317 0.2067 0.1555 0.3798 119DOPE O1115236 5.798 4.512 2.497 -0.3039 -0.2494 0.1479 119DOPE O1215237 5.903 4.627 2.308 0.5526 -0.7954 -0.0954 119DOPE C115238 5.811 4.628 2.579 0.3286 -0.0156 -0.2776 119DOPE HA15239 5.769 4.598 2.677 -1.1549 1.9448 -0.2384 119DOPE HB15240 5.736 4.707 2.558 -0.2977 -0.7521 -0.8750 119DOPE C215241 5.957 4.674 2.594 0.2897 0.0562 -0.1192 119DOPE HS15242 5.999 4.709 2.497 -2.0855 0.8826 -0.9209 119DOPE O2115243 6.036 4.568 2.648 0.3549 -0.0224 -0.3669 119DOPE C2115244 6.167 4.587 2.631 0.3669 0.3376 0.0872 119DOPE O2215245 6.222 4.668 2.558 0.0086 0.0793 -0.4699 119DOPE C2215246 6.235 4.461 2.684 -0.2067 0.0039 0.0355 119DOPE H2R15247 6.277 4.414 2.593 -0.3396 0.6825 -0.3836 119DOPE H2S15248 6.160 4.390 2.725 -1.8075 1.0955 -0.8858 119DOPE C315249 5.951 4.790 2.694 0.0020 0.0044 -0.0747 119DOPE HX15250 5.874 4.862 2.658 1.1707 1.5377 0.3415 119DOPE HY15251 6.048 4.845 2.686 0.1216 -0.3884 -1.4432 119DOPE O3115252 5.924 4.759 2.831 0.0533 -0.5584 -0.1903 119DOPE C3115253 6.031 4.764 2.912 -0.3377 1.3292 0.2659 119DOPE O3215254 6.147 4.786 2.882 -0.3114 0.0669 -0.6704 119DOPE C3215255 5.992 4.720 3.052 0.1464 0.3669 0.1060 119DOPE H2X15256 5.903 4.781 3.079 -0.5767 -1.3983 2.0232 119DOPE H2Y15257 5.956 4.616 3.038 0.4230 0.3595 -0.5799 119DOPE C2315258 6.349 4.497 2.779 0.1939 -0.0763 -0.4076 119DOPE H3R15259 6.359 4.607 2.770 -0.7051 0.0697 0.1770 119DOPE H3S15260 6.445 4.447 2.755 0.2367 -1.0990 1.6455 119DOPE C2415261 6.303 4.468 2.922 0.3849 -0.4428 -0.4206 119DOPE H4R15262 6.268 4.363 2.912 -3.5349 0.6130 0.5602 119DOPE H4S15263 6.212 4.522 2.955 0.5769 0.0331 -0.6667 119DOPE C2515264 6.422 4.476 3.019 -0.0132 0.5384 -0.0082 119DOPE H5R15265 6.438 4.586 3.031 0.4508 0.4676 0.0099 119DOPE H5S15266 6.515 4.433 2.977 0.9087 2.1356 0.3080 119DOPE C2615267 6.393 4.415 3.156 -0.6136 0.4111 -0.1865 119DOPE H6R15268 6.448 4.319 3.142 0.0277 0.7755 -0.2128 119DOPE H6S15269 6.283 4.409 3.171 -0.4585 0.4324 1.1168 119DOPE C2715270 6.456 4.506 3.262 0.1216 -0.2972 -0.0022 119DOPE H7R15271 6.384 4.591 3.267 -0.5937 -0.6315 -2.7813 119DOPE H7S15272 6.554 4.546 3.227 0.9197 -0.6187 1.7677 119DOPE C2815273 6.478 4.443 3.399 -0.3139 0.4324 0.4126 119DOPE H8R15274 6.500 4.534 3.458 -0.4718 0.9772 -0.3509 119DOPE H8S15275 6.560 4.368 3.395 -1.0048 -0.3672 0.6887 119DOPE C2915276 6.352 4.377 3.448 -0.2345 -0.2623 -0.2879 119DOPE H9R15277 6.317 4.285 3.400 -0.6704 -1.0595 1.4653 119DOPE C21015278 6.284 4.412 3.558 -0.1514 0.4594 -0.4567 119DOPE H10R15279 6.185 4.367 3.575 0.8193 -0.9578 2.0520 119DOPE C21115280 6.313 4.523 3.655 -0.3191 -0.0663 0.2017 119DOPE H11R15281 6.232 4.599 3.660 0.3768 0.6577 0.5093 119DOPE H11S15282 6.398 4.587 3.627 0.2776 0.2015 2.3987 119DOPE C21215283 6.329 4.476 3.800 -0.2721 -0.4523 0.0733 119DOPE H12R15284 6.397 4.389 3.809 0.5539 0.2626 0.9753 119DOPE H12S15285 6.231 4.433 3.832 -0.7877 0.8282 0.2760 119DOPE C21315286 6.385 4.590 3.886 -0.1151 -0.4656 -0.0112 119DOPE H13R15287 6.323 4.683 3.882 0.4264 -0.0876 0.3618 119DOPE H13S15288 6.489 4.612 3.854 -1.0191 0.9276 -2.2532 119DOPE C21415289 6.394 4.559 4.035 -0.1346 1.0258 0.3176 119DOPE H14R15290 6.415 4.651 4.093 -0.7943 2.8755 -2.2252 119DOPE H14S15291 6.471 4.480 4.052 -1.5007 -0.3426 0.4005 119DOPE C21515292 6.259 4.508 4.086 0.0092 0.1526 -0.1575 119DOPE H15R15293 6.223 4.422 4.025 -0.7226 0.9977 -0.9438 119DOPE H15S15294 6.186 4.591 4.082 -1.1508 -0.7686 1.0908 119DOPE C21615295 6.253 4.475 4.235 0.0258 -0.1262 -0.2183 119DOPE H16R15296 6.148 4.438 4.242 0.3757 -1.2395 -0.6188 119DOPE H16S15297 6.276 4.571 4.286 1.2459 0.2075 -1.3473 119DOPE C21715298 6.354 4.377 4.296 -0.6187 -0.6231 0.0682 119DOPE H17R15299 6.455 4.395 4.253 -0.7680 -0.6743 -0.3102 119DOPE H17S15300 6.320 4.275 4.268 -2.1919 -0.8998 2.6325 119DOPE C21815301 6.366 4.383 4.448 0.1962 -0.1421 -0.0076 119DOPE H18R15302 6.439 4.309 4.487 0.8794 0.1028 -0.8087 119DOPE H18S15303 6.267 4.370 4.498 0.5728 1.4170 1.2179 119DOPE H18T15304 6.396 4.485 4.479 -1.1991 0.3979 -0.3746 119DOPE C3315305 6.106 4.743 3.152 0.1762 0.9239 -0.0513 119DOPE H3X15306 6.174 4.825 3.119 1.2815 -0.0539 -0.2805 119DOPE H3Y15307 6.160 4.648 3.169 -1.6608 -0.3068 -0.7845 119DOPE C3415308 6.047 4.782 3.287 -0.0802 -0.0219 0.1177 119DOPE H4X15309 5.998 4.882 3.283 -1.6663 -0.8264 -2.0288 119DOPE H4Y15310 5.976 4.703 3.321 1.4060 -1.5974 -0.2796 119DOPE C3515311 6.151 4.790 3.399 0.0648 -0.0904 -0.0098 119DOPE H5X15312 6.228 4.867 3.378 1.7757 -1.1803 1.8619 119DOPE H5Y15313 6.220 4.702 3.397 -0.6697 -0.6836 0.2133 119DOPE C3615314 6.106 4.807 3.544 0.6178 -0.1447 0.1724 119DOPE H6X15315 6.193 4.789 3.611 1.6509 1.4034 -0.7113 119DOPE H6Y15316 6.070 4.912 3.541 1.0935 0.0303 0.5251 119DOPE C3715317 5.996 4.712 3.592 0.2773 0.1798 0.0432 119DOPE H7X15318 5.904 4.735 3.534 -0.5169 -1.7095 0.4726 119DOPE H7Y15319 6.027 4.608 3.568 2.8950 0.9665 -0.2304 119DOPE C3815320 5.963 4.730 3.740 -0.0507 -0.4798 0.0568 119DOPE H8X15321 6.045 4.687 3.800 0.0495 0.2373 0.4501 119DOPE H8Y15322 5.951 4.839 3.760 1.3853 0.0745 -1.8284 119DOPE C3915323 5.833 4.665 3.778 -0.8342 0.5544 -0.7990 119DOPE H9X15324 5.795 4.588 3.709 -0.2473 -1.2124 0.7974 119DOPE C31015325 5.757 4.706 3.881 -0.2957 0.2131 -0.2647 119DOPE H10X15326 5.657 4.662 3.892 -0.5899 1.2355 1.4992 119DOPE C31115327 5.798 4.812 3.979 -0.1711 0.1023 -0.1965 119DOPE H11X15328 5.758 4.778 4.077 0.3355 -1.9663 -0.6531 119DOPE H11Y15329 5.908 4.824 3.975 -0.1896 0.0597 -2.1650 119DOPE C31215330 5.725 4.940 3.937 -0.3355 -0.0472 -0.3676 119DOPE H12X15331 5.773 4.973 3.842 1.0504 -0.7484 0.0598 119DOPE H12Y15332 5.617 4.927 3.915 -0.5719 -0.0490 0.7535 119DOPE C31315333 5.744 5.046 4.046 -0.1887 -0.4957 0.0471 119DOPE H13X15334 5.725 5.145 4.000 0.3897 0.2007 1.2754 119DOPE H13Y15335 5.849 5.042 4.082 -0.5386 -1.5895 1.0097 119DOPE C31415336 5.640 5.025 4.155 -0.2464 -0.1674 0.0544 119DOPE H14X15337 5.539 5.005 4.112 -1.3477 0.3446 2.2074 119DOPE H14Y15338 5.677 4.937 4.213 0.3946 1.0610 1.5688 119DOPE C31515339 5.631 5.136 4.260 0.3499 -0.5271 0.4931 119DOPE H15X15340 5.731 5.151 4.305 0.1559 0.5723 0.5909 119DOPE H15Y15341 5.596 5.230 4.213 -1.4696 -1.0454 0.7108 119DOPE C31615342 5.521 5.124 4.367 -0.2473 -0.0172 -0.0536 119DOPE H16X15343 5.423 5.139 4.317 -1.0042 -1.0486 1.0828 119DOPE H16Y15344 5.540 5.207 4.438 0.1917 -0.2752 0.1368 119DOPE C31715345 5.524 4.990 4.441 0.2104 -0.0567 -0.1387 119DOPE H17X15346 5.630 4.966 4.463 1.0346 0.2177 -3.3225 119DOPE H17Y15347 5.478 4.908 4.382 -0.4797 -0.5642 1.0689 119DOPE C31815348 5.439 5.000 4.567 0.1813 -0.0172 -0.1616 119DOPE H18X15349 5.483 5.076 4.634 0.7160 0.7399 -1.3385 119DOPE H18Y15350 5.332 5.024 4.548 -0.3096 -2.4813 -0.8499 119DOPE H18Z15351 5.452 4.901 4.616 1.0660 0.4141 0.4865 120DOPE N15352 5.639 0.305 2.308 -0.3363 0.6375 -0.2299 120DOPE HN115353 5.709 0.342 2.240 -3.0757 3.1354 -1.9282 120DOPE HN215354 5.582 0.388 2.335 0.0142 0.8662 -0.1751 120DOPE HN315355 5.676 0.261 2.395 -2.9381 0.8637 1.0982 120DOPE C1215356 5.550 0.212 2.229 -0.2623 0.3540 0.0174 120DOPE H12A15357 5.612 0.120 2.231 0.4046 0.8062 1.0176 120DOPE H12B15358 5.543 0.254 2.126 1.3606 -0.3465 -0.4194 120DOPE C1115359 5.414 0.194 2.295 -0.2620 -0.2217 -0.1404 120DOPE H11A15360 5.353 0.117 2.242 0.6362 -0.5126 -0.7668 120DOPE H11B15361 5.364 0.293 2.293 2.0252 0.9838 0.1892 120DOPE P15362 5.294 0.148 2.508 -0.0478 -0.0243 0.0056 120DOPE O1315363 5.200 0.084 2.414 0.1648 -0.0890 -0.1646 120DOPE O1415364 5.255 0.281 2.559 0.4734 0.0762 0.1535 120DOPE O1115365 5.331 0.045 2.625 0.2454 -0.0466 -0.1044 120DOPE O1215366 5.435 0.159 2.432 -0.0715 0.6159 0.0470 120DOPE C115367 5.447 -0.037 2.616 0.0861 -0.3839 0.7698 120DOPE HA15368 5.537 0.026 2.601 -0.2732 0.1958 1.0545 120DOPE HB15369 5.428 -0.103 2.528 1.8657 0.3549 -0.2218 120DOPE C215370 5.465 -0.133 2.735 -0.1641 -0.5238 0.6964 120DOPE HS15371 5.391 -0.213 2.715 -0.8281 0.3896 -0.6818 120DOPE O2115372 5.434 -0.062 2.855 -0.2145 0.6692 -0.0032 120DOPE C2115373 5.308 -0.078 2.895 -0.1816 0.5463 0.0514 120DOPE O2215374 5.224 -0.139 2.830 0.2194 0.3617 -0.2958 120DOPE C2215375 5.282 -0.000 3.023 -0.2704 0.1492 0.2760 120DOPE H2R15376 5.195 0.068 3.007 0.8392 2.1086 2.0677 120DOPE H2S15377 5.370 0.064 3.044 0.0512 0.0220 -0.6333 120DOPE C315378 5.612 -0.179 2.743 0.1452 0.3595 0.2320 120DOPE HX15379 5.684 -0.096 2.756 2.1500 -1.2260 -0.3039 120DOPE HY15380 5.639 -0.227 2.646 -0.8989 -0.8524 0.5153 120DOPE O3115381 5.623 -0.272 2.850 0.2403 0.4051 0.2615 120DOPE C3115382 5.745 -0.324 2.862 0.1976 0.1686 -0.2826 120DOPE O3215383 5.833 -0.322 2.777 0.5412 -0.8286 0.0341 120DOPE C3215384 5.758 -0.398 2.995 0.0813 0.4608 -0.1075 120DOPE H2X15385 5.678 -0.473 3.006 0.0683 0.5279 0.2608 120DOPE H2Y15386 5.862 -0.439 2.995 -0.0029 0.0993 -2.2012 120DOPE C2315387 5.247 -0.100 3.134 -0.0753 -0.4017 -0.1528 120DOPE H3R15388 5.332 -0.172 3.133 -2.0108 -2.8777 -2.1421 120DOPE H3S15389 5.159 -0.159 3.102 -1.5799 1.1984 0.8539 120DOPE C2415390 5.207 -0.032 3.265 0.6729 0.1761 -0.2162 120DOPE H4R15391 5.202 -0.114 3.339 2.1656 -0.0214 -0.3038 120DOPE H4S15392 5.107 0.015 3.252 -1.0907 -2.9305 1.2468 120DOPE C2515393 5.303 0.079 3.308 0.1406 0.2407 0.8468 120DOPE H5R15394 5.268 0.136 3.397 0.1766 -1.6558 2.1227 120DOPE H5S15395 5.304 0.160 3.231 -1.5220 -1.1247 -0.6940 120DOPE C2615396 5.449 0.054 3.344 0.2688 0.1536 0.2848 120DOPE H6R15397 5.499 0.143 3.389 0.7352 0.3911 -0.6839 120DOPE H6S15398 5.500 0.033 3.248 -0.7698 1.0657 -0.4749 120DOPE C2715399 5.479 -0.068 3.431 0.1266 0.3921 0.6771 120DOPE H7R15400 5.588 -0.073 3.453 0.5994 0.0159 -1.5475 120DOPE H7S15401 5.445 -0.162 3.383 0.1824 -0.1668 1.6888 120DOPE C2815402 5.419 -0.050 3.571 -0.1437 0.4133 0.5581 120DOPE H8R15403 5.308 -0.063 3.569 -0.1418 0.1345 -2.2573 120DOPE H8S15404 5.444 0.056 3.591 -1.1261 0.6027 0.8382 120DOPE C2915405 5.489 -0.145 3.663 0.2219 0.5207 0.3911 120DOPE H9R15406 5.495 -0.247 3.623 1.7538 1.2311 -1.3108 120DOPE C21015407 5.522 -0.117 3.790 0.3985 0.2424 0.4083 120DOPE H10R15408 5.591 -0.186 3.842 3.0462 3.5468 1.6728 120DOPE C21115409 5.501 0.014 3.860 -0.2664 0.3409 0.0391 120DOPE H11R15410 5.497 0.093 3.783 -0.1474 -1.0362 -1.4173 120DOPE H11S15411 5.586 0.041 3.927 0.5186 -1.3896 -0.2182 120DOPE C21215412 5.361 0.032 3.921 -0.1377 -0.2206 0.5102 120DOPE H12R15413 5.330 -0.060 3.975 -0.2089 -0.4619 0.0755 120DOPE H12S15414 5.280 0.049 3.847 -1.9271 -1.9835 1.9780 120DOPE C21315415 5.357 0.135 4.033 0.4394 0.4133 -0.0374 120DOPE H13R15416 5.255 0.127 4.077 0.1963 2.7196 -0.0682 120DOPE H13S15417 5.370 0.234 3.984 -0.6273 0.4010 -0.3890 120DOPE C21415418 5.462 0.125 4.144 0.6369 -0.3356 -0.2838 120DOPE H14R15419 5.427 0.206 4.213 -1.4190 0.4661 -2.1328 120DOPE H14S15420 5.562 0.154 4.106 -0.0569 2.1963 -0.3760 120DOPE C21515421 5.453 -0.009 4.218 -0.4493 -0.1217 -0.0002 120DOPE H15R15422 5.513 -0.074 4.151 0.7955 0.2217 0.7450 120DOPE H15S15423 5.346 -0.035 4.232 -0.2903 -0.6500 0.2508 120DOPE C21615424 5.535 -0.014 4.347 -0.3996 -0.0819 -0.0298 120DOPE H16R15425 5.495 0.051 4.427 -0.8610 -2.5059 1.8276 120DOPE H16S15426 5.642 0.004 4.325 -1.0309 4.4535 -0.3151 120DOPE C21715427 5.523 -0.152 4.412 -0.5415 -0.0464 0.0189 120DOPE H17R15428 5.572 -0.230 4.350 0.8413 0.0650 0.9364 120DOPE H17S15429 5.414 -0.176 4.420 -0.4843 -0.3908 -0.2335 120DOPE C21815430 5.568 -0.162 4.558 0.1944 -0.1341 -0.2134 120DOPE H18R15431 5.522 -0.257 4.591 -0.1991 -0.4007 -1.4879 120DOPE H18S15432 5.527 -0.084 4.626 -1.3745 -0.3690 -0.8515 120DOPE H18T15433 5.679 -0.166 4.560 0.2055 0.3296 0.4466 120DOPE C3315434 5.757 -0.291 3.104 -0.1320 0.1648 0.1810 120DOPE H3X15435 5.652 -0.257 3.112 -0.0885 0.2411 0.4476 120DOPE H3Y15436 5.821 -0.207 3.069 -0.7942 -0.0835 -1.6984 120DOPE C3415437 5.811 -0.355 3.232 0.3150 -0.1870 -0.1798 120DOPE H4X15438 5.755 -0.449 3.250 -1.1004 0.0272 -2.9600 120DOPE H4Y15439 5.921 -0.370 3.241 0.1302 -1.2753 0.4366 120DOPE C3515440 5.791 -0.254 3.346 0.2426 -0.3185 -0.0759 120DOPE H5X15441 5.689 -0.211 3.341 1.1080 1.9639 0.6956 120DOPE H5Y15442 5.867 -0.175 3.330 -0.6519 0.3953 -0.9430 120DOPE C3615443 5.827 -0.309 3.484 0.4165 -0.9179 -0.3540 120DOPE H6X15444 5.924 -0.362 3.482 1.1143 0.3200 -0.3872 120DOPE H6Y15445 5.829 -0.229 3.561 0.1068 -2.1801 1.0245 120DOPE C3715446 5.724 -0.405 3.544 0.0035 -0.4203 -0.2540 120DOPE H7X15447 5.717 -0.501 3.488 -1.4724 -0.4372 -0.0748 120DOPE H7Y15448 5.619 -0.372 3.531 0.4615 0.6716 -1.2648 120DOPE C3815449 5.734 -0.431 3.695 -0.2500 0.2068 -0.1286 120DOPE H8X15450 5.714 -0.336 3.749 -3.2799 -0.6499 0.4500 120DOPE H8Y15451 5.650 -0.496 3.728 -0.3861 0.8621 0.8581 120DOPE C3915452 5.866 -0.493 3.731 -0.2878 0.2130 0.0228 120DOPE H9X15453 5.894 -0.573 3.661 -0.7086 0.1056 -0.0239 120DOPE C31015454 5.940 -0.475 3.840 0.0815 0.1187 -0.2112 120DOPE H10X15455 6.035 -0.532 3.844 0.6716 1.0633 -0.3967 120DOPE C31115456 5.927 -0.378 3.954 0.1755 0.4509 -0.4835 120DOPE H11X15457 6.026 -0.361 4.000 0.3181 0.8183 -0.9195 120DOPE H11Y15458 5.901 -0.273 3.927 -1.6991 -0.3647 -2.1682 120DOPE C31215459 5.822 -0.423 4.056 0.5314 -0.0626 -0.3426 120DOPE H12X15460 5.724 -0.433 4.006 -1.0080 -0.9297 2.5761 120DOPE H12Y15461 5.814 -0.347 4.138 3.6256 2.2137 -1.9221 120DOPE C31315462 5.846 -0.560 4.119 0.2152 0.2626 0.5068 120DOPE H13X15463 5.753 -0.589 4.173 0.5749 -1.2839 0.3380 120DOPE H13Y15464 5.853 -0.635 4.037 2.6739 -0.1823 1.0574 120DOPE C31415465 5.972 -0.575 4.204 -0.0770 -0.3483 0.8462 120DOPE H14X15466 5.965 -0.501 4.287 0.3851 1.5351 -0.7058 120DOPE H14Y15467 6.063 -0.542 4.149 0.0584 -2.1619 -0.0955 120DOPE C31515468 6.003 -0.712 4.265 -0.3579 -0.5034 0.6411 120DOPE H15X15469 5.988 -0.785 4.183 1.8615 1.1664 -1.3787 120DOPE H15Y15470 5.927 -0.729 4.345 -0.2368 -1.5172 0.5521 120DOPE C31615471 6.145 -0.732 4.317 0.2296 0.5876 -0.4897 120DOPE H16X15472 6.147 -0.841 4.338 -1.1458 0.8391 1.1300 120DOPE H16Y15473 6.218 -0.711 4.236 2.0244 0.2793 0.9765 120DOPE C31715474 6.182 -0.643 4.436 0.2308 0.4008 -0.3515 120DOPE H17X15475 6.156 -0.537 4.419 -1.2746 0.1690 0.3696 120DOPE H17Y15476 6.122 -0.679 4.523 -0.4900 2.1032 -0.1150 120DOPE C31815477 6.328 -0.661 4.479 -0.3106 -0.1315 1.3547 120DOPE H18X15478 6.347 -0.588 4.560 0.1992 -0.8777 1.9212 120DOPE H18Y15479 6.336 -0.760 4.529 -0.8288 -1.0596 -0.3194 120DOPE H18Z15480 6.396 -0.646 4.393 -2.9527 -1.6191 -1.2105 121DOPE N15481 1.397 2.093 2.599 -0.1181 -0.4715 0.0126 121DOPE HN115482 1.332 2.012 2.599 1.4071 -1.8761 2.7807 121DOPE HN215483 1.386 2.142 2.690 -0.7537 -2.2364 0.9539 121DOPE HN315484 1.372 2.154 2.519 0.3671 -1.1228 -0.6490 121DOPE C1215485 1.543 2.055 2.594 0.0466 0.1943 -0.2616 121DOPE H12A15486 1.585 2.072 2.492 0.9896 -0.0373 0.0763 121DOPE H12B15487 1.552 1.947 2.620 0.4149 0.7206 1.9680 121DOPE C1115488 1.631 2.139 2.687 0.0758 -0.0647 -0.0536 121DOPE H11A15489 1.736 2.133 2.650 0.5178 0.4374 1.0776 121DOPE H11B15490 1.630 2.102 2.791 -1.0584 -0.5535 -0.2216 121DOPE P15491 1.700 2.377 2.718 -0.1073 0.2647 0.0579 121DOPE O1315492 1.646 2.515 2.721 -0.2596 0.2027 0.2540 121DOPE O1415493 1.817 2.351 2.632 -0.0318 0.6369 0.0446 121DOPE O1115494 1.741 2.338 2.868 -0.1692 -0.0264 -0.0008 121DOPE O1215495 1.584 2.274 2.681 0.2094 -0.0209 -0.1420 121DOPE C115496 1.668 2.389 2.980 -0.1030 0.0778 -0.0050 121DOPE HA15497 1.687 2.318 3.064 -0.0785 0.9037 0.6934 121DOPE HB15498 1.558 2.381 2.969 -0.2921 1.8810 0.3971 121DOPE C215499 1.710 2.529 3.027 -0.2034 0.0495 0.1709 121DOPE HS15500 1.700 2.606 2.947 1.8952 0.1596 -0.0573 121DOPE O2115501 1.845 2.526 3.073 -0.3410 -0.3012 0.5514 121DOPE C2115502 1.924 2.626 3.033 -0.0496 -0.4867 0.6533 121DOPE O2215503 1.892 2.709 2.949 0.1208 -0.6953 0.3792 121DOPE C2215504 2.057 2.631 3.106 0.0196 0.1944 0.4821 121DOPE H2R15505 2.083 2.737 3.130 -0.2191 0.1731 0.8337 121DOPE H2S15506 2.136 2.591 3.038 -1.2807 0.2038 -1.1057 121DOPE C315507 1.627 2.575 3.148 0.0319 0.0970 0.3143 121DOPE HX15508 1.632 2.498 3.228 2.0029 -1.0259 -0.8118 121DOPE HY15509 1.521 2.595 3.122 0.2079 2.3739 1.1093 121DOPE O3115510 1.684 2.698 3.195 -0.1366 0.2765 0.0539 121DOPE C3115511 1.688 2.723 3.326 0.1230 -0.0402 0.1101 121DOPE O3215512 1.646 2.647 3.412 -0.1944 0.4347 0.3850 121DOPE C3215513 1.761 2.856 3.344 0.1220 0.0253 -0.3495 121DOPE H2X15514 1.809 2.882 3.248 2.6951 -0.0795 0.8134 121DOPE H2Y15515 1.688 2.934 3.373 -1.9290 -1.5511 -1.0029 121DOPE C2315516 2.045 2.548 3.233 -0.2814 -0.3993 0.0688 121DOPE H3R15517 2.015 2.445 3.204 -1.5104 -0.3331 0.9986 121DOPE H3S15518 1.970 2.590 3.303 -0.8508 -0.4438 -0.5038 121DOPE C2415519 2.174 2.537 3.315 -0.0436 -0.2062 -0.2775 121DOPE H4R15520 2.205 2.637 3.351 -1.8610 -0.3912 2.0211 121DOPE H4S15521 2.261 2.509 3.252 0.9696 0.0993 0.9337 121DOPE C2515522 2.152 2.461 3.446 -0.3748 0.0984 -0.1547 121DOPE H5R15523 2.137 2.351 3.438 -3.4548 0.1939 2.2961 121DOPE H5S15524 2.059 2.502 3.490 -0.2209 -0.5314 0.7903 121DOPE C2615525 2.266 2.490 3.542 -0.5974 0.1534 0.0945 121DOPE H6R15526 2.261 2.599 3.565 -0.9137 -0.0519 1.0355 121DOPE H6S15527 2.366 2.471 3.498 0.4401 -2.6738 3.2539 121DOPE C2715528 2.270 2.406 3.670 0.3008 -0.1658 -0.1306 121DOPE H7R15529 2.296 2.305 3.635 -1.2361 -0.6116 -0.0732 121DOPE H7S15530 2.164 2.411 3.705 0.3732 -0.3079 0.1116 121DOPE C2815531 2.355 2.456 3.787 -0.1949 0.6973 -0.1228 121DOPE H8R15532 2.330 2.560 3.815 1.2927 1.1856 -0.5211 121DOPE H8S15533 2.461 2.448 3.754 -0.1436 -0.4298 0.2664 121DOPE C2915534 2.318 2.375 3.909 0.7001 -0.1339 -0.3845 121DOPE H9R15535 2.214 2.342 3.925 1.1389 -1.6933 -0.6533 121DOPE C21015536 2.406 2.333 4.001 -0.1343 -0.1781 0.4065 121DOPE H10R15537 2.373 2.282 4.092 0.5121 1.0107 1.3245 121DOPE C21115538 2.555 2.346 3.998 -0.1219 -0.4092 -0.1522 121DOPE H11R15539 2.585 2.410 3.913 -1.0186 -1.9522 -1.6918 121DOPE H11S15540 2.605 2.248 3.982 0.2251 -0.5058 1.3677 121DOPE C21215541 2.604 2.423 4.121 -0.0665 -0.4004 -0.1792 121DOPE H12R15542 2.590 2.361 4.213 1.6905 -0.3267 0.1627 121DOPE H12S15543 2.543 2.515 4.128 -0.3161 -0.6415 1.1300 121DOPE C21315544 2.754 2.446 4.107 -0.1402 0.4526 0.4034 121DOPE H13R15545 2.776 2.539 4.050 1.1065 -0.9995 -1.6005 121DOPE H13S15546 2.806 2.363 4.056 -0.5344 1.1312 -1.1601 121DOPE C21415547 2.828 2.455 4.241 -0.7168 -0.8099 0.8209 121DOPE H14R15548 2.935 2.476 4.217 -0.8356 1.0129 1.7460 121DOPE H14S15549 2.828 2.353 4.285 -0.7217 -1.0402 0.2969 121DOPE C21515550 2.772 2.561 4.335 -0.2617 -0.3211 0.5460 121DOPE H15R15551 2.664 2.542 4.354 -0.2090 -0.1023 1.0781 121DOPE H15S15552 2.821 2.551 4.434 -1.0647 -0.6545 0.9184 121DOPE C21615553 2.790 2.706 4.289 -0.2391 -0.4025 0.2971 121DOPE H16R15554 2.750 2.781 4.361 1.3057 1.1302 -0.3435 121DOPE H16S15555 2.737 2.704 4.191 -0.4446 -0.7504 0.4156 121DOPE C21715556 2.939 2.740 4.278 -0.3679 -0.0450 -0.3674 121DOPE H17R15557 2.988 2.690 4.192 -0.4625 0.4600 -0.7229 121DOPE H17S15558 3.003 2.710 4.364 1.4590 -2.8510 -2.5232 121DOPE C21815559 2.970 2.884 4.238 0.5701 -0.3940 -0.9390 121DOPE H18R15560 2.903 2.934 4.164 -0.3955 0.3662 0.4127 121DOPE H18S15561 3.075 2.899 4.204 1.8875 0.5774 3.0052 121DOPE H18T15562 2.951 2.947 4.327 -1.9491 -0.3529 -1.4225 121DOPE C3315563 1.858 2.833 3.460 -0.2444 -0.7092 -0.1745 121DOPE H3X15564 1.935 2.914 3.462 0.5619 -1.4301 -0.8829 121DOPE H3Y15565 1.909 2.736 3.443 0.3936 -0.5818 0.9069 121DOPE C3415566 1.787 2.843 3.594 0.2884 0.5088 0.0375 121DOPE H4X15567 1.716 2.928 3.603 -1.8668 -1.3278 1.7369 121DOPE H4Y15568 1.734 2.746 3.604 3.0628 -1.3473 -1.8668 121DOPE C3515569 1.881 2.854 3.714 -0.3757 -0.1860 0.6377 121DOPE H5X15570 1.925 2.956 3.722 2.1289 -1.1688 0.2271 121DOPE H5Y15571 1.809 2.842 3.798 -1.1316 -0.1077 0.0051 121DOPE C3615572 1.997 2.755 3.714 -0.0354 0.2026 -0.5347 121DOPE H6X15573 2.062 2.781 3.627 -2.7799 1.3483 -2.4014 121DOPE H6Y15574 1.954 2.654 3.699 -0.9942 0.2555 1.5568 121DOPE C3715575 2.065 2.738 3.850 -0.5386 0.3928 -0.2567 121DOPE H7X15576 2.106 2.839 3.873 0.7327 0.0605 -0.9736 121DOPE H7Y15577 2.162 2.683 3.846 0.4637 1.6736 2.9176 121DOPE C3815578 1.974 2.694 3.965 -0.0469 -0.6117 -0.2392 121DOPE H8X15579 1.895 2.771 3.975 1.5308 1.0892 -0.3889 121DOPE H8Y15580 1.920 2.600 3.942 -0.5247 0.0602 -2.0918 121DOPE C3915581 2.043 2.690 4.098 -0.3704 0.5499 -0.0273 121DOPE H9X15582 2.145 2.732 4.099 0.0875 -0.5384 0.3323 121DOPE C31015583 2.003 2.649 4.219 -0.1766 0.0450 -0.1343 121DOPE H10X15584 2.071 2.661 4.304 -0.9972 -0.9414 0.6904 121DOPE C31115585 1.880 2.569 4.252 0.1067 0.0311 0.9022 121DOPE H11X15586 1.822 2.625 4.328 1.0741 0.3472 1.4320 121DOPE H11Y15587 1.821 2.567 4.158 1.2762 0.4076 0.1447 121DOPE C31215588 1.911 2.423 4.285 0.4860 -0.0849 0.0408 121DOPE H12X15589 1.966 2.416 4.381 0.9108 0.1915 -0.1782 121DOPE H12Y15590 1.819 2.363 4.304 0.0792 0.9981 1.6574 121DOPE C31315591 1.993 2.346 4.181 0.6964 0.4051 -0.1591 121DOPE H13X15592 1.926 2.351 4.092 -1.1868 -0.5843 1.1443 121DOPE H13Y15593 2.095 2.382 4.156 1.6024 -2.0476 -0.2402 121DOPE C31415594 2.009 2.197 4.211 0.2390 0.3318 -0.2760 121DOPE H14X15595 2.044 2.149 4.117 -1.6496 -1.1108 -0.3259 121DOPE H14Y15596 1.910 2.153 4.235 -0.3302 1.4562 -0.4797 121DOPE C31515597 2.102 2.165 4.327 -0.4442 0.6556 0.3726 121DOPE H15X15598 2.108 2.056 4.348 0.7131 0.4470 -0.8552 121DOPE H15Y15599 2.073 2.210 4.424 -1.7989 -1.1362 0.8467 121DOPE C31615600 2.251 2.189 4.299 -0.3901 0.3524 0.3977 121DOPE H16X15601 2.264 2.298 4.282 1.5525 0.4312 1.9527 121DOPE H16Y15602 2.289 2.135 4.210 0.6008 1.2221 0.2714 121DOPE C31715603 2.341 2.145 4.415 0.2002 -0.1610 -0.2464 121DOPE H17X15604 2.328 2.227 4.490 -1.1471 0.6235 -1.2900 121DOPE H17Y15605 2.304 2.045 4.445 1.3234 -0.2427 1.0015 121DOPE C31815606 2.489 2.112 4.396 0.3075 -0.2059 0.6166 121DOPE H18X15607 2.502 2.019 4.337 -2.8100 -0.0129 -0.5362 121DOPE H18Y15608 2.546 2.196 4.351 -1.9451 0.9710 -0.1613 121DOPE H18Z15609 2.534 2.106 4.498 0.7633 -3.0074 0.3339 122DOPE N15610 2.024 4.735 2.235 -0.1974 -0.2753 -0.4973 122DOPE HN115611 2.005 4.837 2.232 1.9586 0.2109 0.2991 122DOPE HN215612 1.976 4.686 2.157 0.1300 0.5507 -1.2327 122DOPE HN315613 1.987 4.692 2.323 0.3503 -0.1237 -0.1895 122DOPE C1215614 2.171 4.706 2.221 -0.1429 -0.5916 0.6345 122DOPE H12A15615 2.195 4.713 2.113 1.1641 1.6292 0.9856 122DOPE H12B15616 2.192 4.599 2.243 1.5842 -0.5931 -0.7761 122DOPE C1115617 2.259 4.793 2.312 0.6882 -0.0081 -0.7013 122DOPE H11A15618 2.362 4.753 2.321 0.4277 -0.3177 1.1371 122DOPE H11B15619 2.215 4.778 2.413 -0.9660 -0.8758 -1.5133 122DOPE P15620 2.369 5.021 2.310 0.1813 0.2619 0.0744 122DOPE O1315621 2.326 5.162 2.295 -0.3915 0.0617 -0.2044 122DOPE O1415622 2.499 4.978 2.254 0.1509 -0.3570 0.4675 122DOPE O1115623 2.372 4.981 2.464 -0.1611 0.0677 0.0308 122DOPE O1215624 2.248 4.927 2.262 0.2184 0.2343 0.0337 122DOPE C115625 2.254 4.999 2.543 -0.0222 0.0325 0.2475 122DOPE HA15626 2.262 4.921 2.622 -0.0551 -0.9965 -0.7554 122DOPE HB15627 2.166 4.986 2.477 1.2455 -0.4065 -1.4228 122DOPE C215628 2.251 5.134 2.618 0.1192 0.2717 -0.1757 122DOPE HS15629 2.263 5.211 2.539 1.1847 0.9380 0.6142 122DOPE O2115630 2.372 5.126 2.693 -0.1825 0.1414 0.3003 122DOPE C2115631 2.401 5.234 2.767 -0.1048 0.2287 0.1429 122DOPE O2215632 2.341 5.340 2.761 -0.5134 0.0002 0.1566 122DOPE C2215633 2.522 5.205 2.854 -0.2499 0.0571 0.2887 122DOPE H2R15634 2.549 5.294 2.915 2.4904 -0.7962 0.4867 122DOPE H2S15635 2.606 5.173 2.788 -0.6601 0.3821 -0.3980 122DOPE C315636 2.125 5.150 2.705 0.2008 0.5384 -0.1071 122DOPE HX15637 2.035 5.101 2.663 1.1216 -0.4585 -0.9638 122DOPE HY15638 2.106 5.259 2.717 0.4237 0.9343 -2.7506 122DOPE O3115639 2.152 5.102 2.837 0.0425 0.1548 -0.2132 122DOPE C3115640 2.116 4.979 2.873 0.3940 -0.0274 -0.4762 122DOPE O3215641 2.087 4.894 2.791 -0.0812 -0.7168 0.3825 122DOPE C3215642 2.113 4.964 3.025 -0.5044 -0.0455 -0.4891 122DOPE H2X15643 2.177 5.045 3.066 0.1859 -0.3505 -0.9449 122DOPE H2Y15644 2.011 4.996 3.056 -0.7228 -0.7719 -0.4414 122DOPE C2315645 2.493 5.097 2.958 -0.0442 -0.0944 0.1900 122DOPE H3R15646 2.476 5.000 2.907 0.8431 0.2166 -0.7109 122DOPE H3S15647 2.399 5.121 3.013 -0.7588 -2.5546 0.1842 122DOPE C2415648 2.607 5.055 3.051 0.2953 0.2710 -0.0640 122DOPE H4R15649 2.701 5.045 2.993 0.2866 -0.6796 0.0750 122DOPE H4S15650 2.583 4.960 3.103 0.2531 1.0281 1.3382 122DOPE C2515651 2.634 5.154 3.165 -0.5019 -0.1474 0.4975 122DOPE H5R15652 2.545 5.171 3.228 -0.1633 -0.9085 1.2031 122DOPE H5S15653 2.644 5.256 3.123 -0.6942 -0.0556 0.6785 122DOPE C2615654 2.760 5.118 3.245 0.0645 0.2945 -0.1835 122DOPE H6R15655 2.854 5.153 3.197 0.5906 -0.6686 0.1171 122DOPE H6S15656 2.767 5.008 3.256 0.6912 0.4796 1.4653 122DOPE C2715657 2.751 5.183 3.383 -0.4446 -0.3443 0.0901 122DOPE H7R15658 2.651 5.174 3.431 -0.8091 0.5541 -0.4750 122DOPE H7S15659 2.767 5.289 3.353 0.1902 -0.5717 -0.3993 122DOPE C2815660 2.861 5.150 3.484 -0.0253 -0.0125 -0.2561 122DOPE H8R15661 2.965 5.144 3.446 0.9617 1.0176 2.0757 122DOPE H8S15662 2.828 5.049 3.515 0.2870 -0.5413 -1.5801 122DOPE C2915663 2.854 5.254 3.591 -0.1269 0.1671 -0.4360 122DOPE H9R15664 2.908 5.345 3.560 1.2761 -0.5589 -0.1774 122DOPE C21015665 2.809 5.253 3.718 0.8884 0.2973 -0.0615 122DOPE H10R15666 2.796 5.344 3.777 3.5418 0.7344 -0.0306 122DOPE C21115667 2.742 5.133 3.778 0.4440 0.6491 0.1498 122DOPE H11R15668 2.773 5.042 3.723 1.2596 0.4589 0.8977 122DOPE H11S15669 2.631 5.135 3.773 0.4137 1.2694 0.9066 122DOPE C21215670 2.761 5.129 3.930 0.0161 0.0081 0.1902 122DOPE H12R15671 2.722 5.224 3.972 -1.8429 -0.4120 -0.4884 122DOPE H12S15672 2.863 5.108 3.967 -0.1464 -1.6520 -0.2479 122DOPE C21315673 2.671 5.018 3.986 -0.1245 -0.0377 -0.1254 122DOPE H13R15674 2.695 4.926 3.928 -1.4072 -1.9048 2.1662 122DOPE H13S15675 2.564 5.029 3.962 -0.4157 -2.5877 -0.3031 122DOPE C21415676 2.675 5.004 4.138 -0.1877 -0.0022 -0.1203 122DOPE H14R15677 2.781 4.989 4.167 -0.0440 0.4787 -0.3924 122DOPE H14S15678 2.622 4.913 4.173 1.5011 -0.7362 0.6680 122DOPE C21515679 2.609 5.127 4.199 0.7089 0.4144 0.0279 122DOPE H15R15680 2.498 5.123 4.191 0.7192 1.1578 -0.5754 122DOPE H15S15681 2.649 5.216 4.146 2.2890 0.1223 0.6624 122DOPE C21615682 2.650 5.127 4.346 0.4435 0.1544 0.1035 122DOPE H16R15683 2.761 5.138 4.347 0.6710 -1.7752 -0.1400 122DOPE H16S15684 2.634 5.032 4.401 -3.2446 0.6135 0.0282 122DOPE C21715685 2.590 5.245 4.423 -0.1694 -0.0058 -0.1268 122DOPE H17R15686 2.479 5.241 4.423 -0.3155 1.9350 2.0851 122DOPE H17S15687 2.622 5.336 4.368 -0.8361 -0.0388 -0.5813 122DOPE C21815688 2.633 5.235 4.569 -0.0986 0.3467 -0.1236 122DOPE H18R15689 2.743 5.220 4.571 -0.1919 -0.3818 -0.0896 122DOPE H18S15690 2.566 5.158 4.613 -1.9698 1.2984 -1.2033 122DOPE H18T15691 2.625 5.331 4.624 1.1306 -1.5127 3.6517 122DOPE C3315692 2.160 4.828 3.076 -0.7636 0.1929 0.4091 122DOPE H3X15693 2.261 4.802 3.038 -0.6475 0.4799 0.5208 122DOPE H3Y15694 2.095 4.752 3.026 -0.3097 0.6558 -0.9298 122DOPE C3415695 2.151 4.792 3.224 0.1760 0.1432 0.4572 122DOPE H4X15696 2.044 4.792 3.252 0.1000 0.5122 0.1715 122DOPE H4Y15697 2.197 4.694 3.249 1.0147 0.5507 0.5534 122DOPE C3515698 2.227 4.895 3.308 0.5817 0.2619 -0.0519 122DOPE H5X15699 2.190 4.996 3.279 -1.2129 -0.5583 -0.7710 122DOPE H5Y15700 2.337 4.887 3.290 0.9912 3.8937 -0.0521 122DOPE C3615701 2.195 4.860 3.453 -0.9831 0.9173 -0.2214 122DOPE H6X15702 2.085 4.847 3.466 -0.7951 -0.0956 0.4915 122DOPE H6Y15703 2.240 4.762 3.480 -1.6870 -0.0847 -2.4235 122DOPE C3715704 2.244 4.966 3.551 0.0452 0.1156 0.1498 122DOPE H7X15705 2.350 4.995 3.536 0.0078 0.7388 0.9808 122DOPE H7Y15706 2.182 5.058 3.542 -0.2500 -0.1097 -0.1158 122DOPE C3815707 2.239 4.915 3.696 0.7791 -0.0590 0.1155 122DOPE H8X15708 2.132 4.896 3.720 0.3689 0.6757 -1.0346 122DOPE H8Y15709 2.297 4.820 3.697 2.4726 0.9416 1.0337 122DOPE C3915710 2.295 5.005 3.802 0.5412 0.4969 -0.2267 122DOPE H9X15711 2.396 5.028 3.765 0.4988 0.4661 -0.3635 122DOPE C31015712 2.242 5.059 3.913 -0.2050 0.0042 -0.3326 122DOPE H10X15713 2.307 5.127 3.971 -0.2361 0.8232 -1.2144 122DOPE C31115714 2.099 5.040 3.954 -0.4099 0.4860 -0.7998 122DOPE H11X15715 2.064 4.935 3.963 -3.6141 1.3488 -1.8693 122DOPE H11Y15716 2.029 5.080 3.878 0.2178 0.4319 -1.4161 122DOPE C31215717 2.072 5.116 4.085 -0.4394 -0.8796 0.0055 122DOPE H12X15718 1.966 5.111 4.116 -0.3019 -0.5527 0.5364 122DOPE H12Y15719 2.102 5.222 4.072 -1.3855 -0.6580 -0.4065 122DOPE C31315720 2.161 5.068 4.200 -0.2205 -0.3567 0.0593 122DOPE H13X15721 2.265 5.097 4.175 0.4376 0.0996 2.9138 122DOPE H13Y15722 2.152 4.959 4.224 0.9200 -0.3740 0.4487 122DOPE C31415723 2.124 5.126 4.337 -0.0837 -0.5137 0.1632 122DOPE H14X15724 2.123 5.236 4.324 1.1589 -0.1915 2.2911 122DOPE H14Y15725 2.025 5.098 4.378 -1.0964 0.9591 -1.1583 122DOPE C31515726 2.228 5.106 4.447 0.2355 0.4657 0.0453 122DOPE H15X15727 2.329 5.112 4.401 -0.2483 0.4771 -1.0309 122DOPE H15Y15728 2.230 5.002 4.486 -0.7020 -0.5032 -2.3122 122DOPE C31615729 2.219 5.209 4.560 -0.1556 0.5363 -0.0513 122DOPE H16X15730 2.235 5.315 4.531 -0.0981 1.1698 2.1141 122DOPE H16Y15731 2.302 5.189 4.631 0.3391 2.1131 -0.1568 122DOPE C31715732 2.081 5.208 4.626 0.0195 -0.1258 0.3116 122DOPE H17X15733 2.078 5.281 4.710 -0.4758 1.2944 -0.9112 122DOPE H17Y15734 2.004 5.242 4.553 1.1682 0.0730 -0.8400 122DOPE C31815735 2.046 5.067 4.673 0.1471 -0.3869 -0.3763 122DOPE H18X15736 2.109 5.032 4.757 -0.2696 0.2999 0.2304 122DOPE H18Y15737 1.946 5.066 4.722 0.6156 -1.5472 0.6064 122DOPE H18Z15738 2.028 5.002 4.584 -2.2152 0.0568 -0.3080 123DOPE N15739 0.024 1.308 2.104 0.2669 0.0659 0.2366 123DOPE HN115740 0.058 1.211 2.092 1.0600 0.4688 -0.9193 123DOPE HN215741 -0.080 1.304 2.105 0.2355 0.2123 -1.1034 123DOPE HN315742 0.056 1.375 2.031 2.4046 -0.7208 0.4002 123DOPE C1215743 0.059 1.370 2.237 0.4307 0.6387 -0.0683 123DOPE H12A15744 0.170 1.378 2.246 0.9182 -2.9071 -1.2700 123DOPE H12B15745 0.026 1.287 2.303 0.7724 0.2723 -0.3535 123DOPE C1115746 -0.018 1.500 2.262 -0.0701 0.3036 0.1510 123DOPE H11A15747 0.038 1.577 2.205 1.2515 -1.2027 -0.6688 123DOPE H11B15748 -0.008 1.514 2.371 1.4118 -2.0336 0.3862 123DOPE P15749 -0.245 1.608 2.296 0.4280 -0.3229 -0.0165 123DOPE O1315750 -0.367 1.620 2.214 0.2501 0.1842 0.3198 123DOPE O1415751 -0.160 1.729 2.290 -0.1260 0.0598 -0.2589 123DOPE O1115752 -0.271 1.563 2.447 -0.0157 -0.3381 -0.0970 123DOPE O1215753 -0.157 1.491 2.229 -0.0154 -0.7622 0.1639 123DOPE C115754 -0.381 1.613 2.524 0.1958 0.2590 -0.1787 123DOPE HA15755 -0.392 1.545 2.611 0.1696 -1.1911 -1.2788 123DOPE HB15756 -0.472 1.606 2.461 0.6086 1.3058 -0.9295 123DOPE C215757 -0.359 1.749 2.592 -0.1483 -0.0825 0.6311 123DOPE HS15758 -0.356 1.820 2.506 0.1407 -1.4127 -0.4948 123DOPE O2115759 -0.231 1.754 2.656 0.0416 0.4920 0.2198 123DOPE C2115760 -0.189 1.874 2.698 0.1043 0.4170 0.3733 123DOPE O2215761 -0.218 1.980 2.645 -0.4510 0.1100 0.0491 123DOPE C2215762 -0.086 1.864 2.809 0.3238 0.2182 0.1535 123DOPE H2R15763 0.015 1.840 2.771 0.6129 3.1619 -1.2235 123DOPE H2S15764 -0.126 1.796 2.887 -0.4068 -0.7621 -1.0540 123DOPE C315765 -0.473 1.788 2.687 -0.7096 -0.0501 -0.0483 123DOPE HX15766 -0.572 1.765 2.642 -2.2644 -1.2689 3.5784 123DOPE HY15767 -0.471 1.899 2.699 -1.9264 -0.1290 1.1990 123DOPE O3115768 -0.466 1.724 2.815 0.5093 -0.2354 -0.1992 123DOPE C3115769 -0.427 1.796 2.920 0.0272 -0.0884 -0.1200 123DOPE O3215770 -0.407 1.916 2.919 -0.2477 -0.0387 0.0390 123DOPE C3215771 -0.393 1.697 3.030 0.3415 0.1203 -0.0290 123DOPE H2X15772 -0.468 1.615 3.035 -0.1983 0.5832 -0.4925 123DOPE H2Y15773 -0.293 1.656 3.002 -0.0123 -0.2824 -0.7239 123DOPE C2315774 -0.080 1.998 2.882 -0.1673 -0.0162 0.6310 123DOPE H3R15775 -0.184 2.023 2.914 -0.3254 -0.1226 0.2025 123DOPE H3S15776 -0.052 2.085 2.818 -0.3919 0.5935 1.3330 123DOPE C2415777 0.010 2.002 3.006 0.2369 0.1256 0.3350 123DOPE H4R15778 0.113 1.980 2.969 0.6773 1.3835 0.7691 123DOPE H4S15779 -0.033 1.926 3.075 -1.0651 2.1900 1.9123 123DOPE C2515780 0.000 2.136 3.078 -0.4377 0.2568 0.0056 123DOPE H5R15781 -0.105 2.143 3.114 -0.5499 -1.5099 0.1229 123DOPE H5S15782 0.029 2.220 3.012 -0.8183 -1.3695 -2.3536 123DOPE C2615783 0.089 2.131 3.203 -0.1688 -0.2289 -0.2011 123DOPE H6R15784 0.196 2.115 3.178 0.4197 0.4430 1.6959 123DOPE H6S15785 0.049 2.049 3.267 -1.5091 0.0256 -0.6696 123DOPE C2715786 0.089 2.259 3.287 0.2120 -0.4234 0.0988 123DOPE H7R15787 -0.012 2.286 3.323 0.5705 0.5372 0.4258 123DOPE H7S15788 0.122 2.353 3.237 1.4008 -0.9049 -0.0607 123DOPE C2815789 0.183 2.257 3.408 -0.1790 -0.4860 0.4015 123DOPE H8R15790 0.287 2.256 3.371 -0.2624 -2.0920 0.1256 123DOPE H8S15791 0.156 2.161 3.457 -3.3011 -0.6796 -1.3826 123DOPE C2915792 0.156 2.378 3.492 0.0830 0.0795 -0.3182 123DOPE H9R15793 0.073 2.439 3.453 -0.7101 -0.8102 -0.0734 123DOPE C21015794 0.220 2.423 3.601 0.1944 -0.2041 -0.2676 123DOPE H10R15795 0.180 2.508 3.657 -1.7732 -2.0296 1.2729 123DOPE C21115796 0.342 2.352 3.652 0.3342 0.0580 -0.2382 123DOPE H11R15797 0.406 2.326 3.564 0.3763 -0.5746 -0.0266 123DOPE H11S15798 0.310 2.255 3.695 0.3505 0.3650 0.4777 123DOPE C21215799 0.417 2.433 3.759 -0.7498 0.2011 0.4209 123DOPE H12R15800 0.354 2.431 3.851 -0.0545 1.0342 0.9215 123DOPE H12S15801 0.436 2.533 3.716 0.7495 0.3968 1.4876 123DOPE C21315802 0.550 2.372 3.803 -0.5524 0.3281 0.0032 123DOPE H13R15803 0.613 2.385 3.712 0.3926 -0.3317 0.5520 123DOPE H13S15804 0.530 2.265 3.825 0.5619 -0.4570 -2.3837 123DOPE C21415805 0.602 2.439 3.930 -0.3936 -0.0297 0.1272 123DOPE H14R15806 0.541 2.407 4.017 -1.4372 -0.4787 -0.7537 123DOPE H14S15807 0.593 2.548 3.912 0.4205 -0.0492 -0.4597 123DOPE C21515808 0.746 2.391 3.953 -0.3349 -0.2084 -0.5870 123DOPE H15R15809 0.774 2.469 4.027 -0.0824 0.5763 -1.4927 123DOPE H15S15810 0.807 2.394 3.860 2.3581 -1.0678 1.0429 123DOPE C21615811 0.756 2.253 4.019 0.3362 -0.0708 -0.3996 123DOPE H16R15812 0.697 2.174 3.969 1.0065 0.1172 -1.5248 123DOPE H16S15813 0.710 2.269 4.119 0.3797 0.3325 -0.4386 123DOPE C21715814 0.900 2.215 4.055 0.0258 0.0619 1.0350 123DOPE H17R15815 0.940 2.286 4.131 -0.9636 -0.7227 2.3466 123DOPE H17S15816 0.952 2.221 3.958 -1.0596 -0.6193 0.3831 123DOPE C21815817 0.903 2.072 4.110 0.3373 -0.1581 0.4448 123DOPE H18R15818 0.851 2.068 4.208 1.6855 -0.6514 1.1746 123DOPE H18S15819 1.009 2.040 4.125 -0.1525 -2.1980 -0.1690 123DOPE H18T15820 0.849 2.006 4.039 -2.0205 1.3357 0.7704 123DOPE C3315821 -0.378 1.777 3.159 -0.8082 0.0917 0.1312 123DOPE H3X15822 -0.467 1.834 3.195 -0.3285 0.4043 0.8626 123DOPE H3Y15823 -0.293 1.848 3.149 -0.6903 -0.1789 -0.8910 123DOPE C3415824 -0.347 1.694 3.284 -0.6094 0.1779 0.1392 123DOPE H4X15825 -0.435 1.641 3.324 -1.0496 1.1621 0.5167 123DOPE H4Y15826 -0.259 1.627 3.279 -0.8338 -0.0394 -1.2220 123DOPE C3515827 -0.316 1.791 3.399 -0.8730 0.2432 0.1558 123DOPE H5X15828 -0.390 1.873 3.401 -0.6548 0.4361 1.5134 123DOPE H5Y15829 -0.221 1.840 3.370 -0.3549 -0.6414 0.2991 123DOPE C3615830 -0.311 1.721 3.535 0.3226 -0.3393 -0.1662 123DOPE H6X15831 -0.415 1.703 3.569 -0.4378 -0.9853 -2.6776 123DOPE H6Y15832 -0.254 1.626 3.536 -0.3816 -0.7741 -0.7080 123DOPE C3715833 -0.266 1.821 3.642 -0.2419 -0.2474 -0.0130 123DOPE H7X15834 -0.324 1.916 3.637 -0.0666 -0.1480 -0.1445 123DOPE H7Y15835 -0.163 1.848 3.610 -0.1615 -1.3162 -0.6882 123DOPE C3815836 -0.274 1.766 3.784 0.7107 -0.0408 0.1265 123DOPE H8X15837 -0.359 1.694 3.787 1.3145 -0.9914 -2.7058 123DOPE H8Y15838 -0.183 1.707 3.809 -1.3966 -3.7045 -0.1003 123DOPE C3915839 -0.292 1.884 3.875 0.1007 0.2572 -0.3707 123DOPE H9X15840 -0.382 1.944 3.859 -0.6209 0.1557 2.6338 123DOPE C31015841 -0.218 1.912 3.984 0.5438 -0.2333 -0.5399 123DOPE H10X15842 -0.237 2.005 4.038 -1.8494 -1.2058 0.4493 123DOPE C31115843 -0.099 1.833 4.030 0.4764 -0.0458 -0.0423 123DOPE H11X15844 -0.095 1.732 3.984 1.0252 0.6508 -1.5756 123DOPE H11Y15845 -0.004 1.886 4.007 0.1133 0.4375 -0.4672 123DOPE C31215846 -0.090 1.796 4.178 -0.0653 0.2312 0.0617 123DOPE H12X15847 0.015 1.762 4.195 0.5842 2.2799 0.4199 123DOPE H12Y15848 -0.161 1.718 4.213 0.4552 -0.0577 0.4852 123DOPE C31315849 -0.109 1.921 4.264 -0.4073 0.0663 0.2299 123DOPE H13X15850 -0.066 2.008 4.210 -1.7055 -1.2613 -3.1714 123DOPE H13Y15851 -0.217 1.947 4.269 -0.5790 -0.5067 -0.5034 123DOPE C31415852 -0.056 1.898 4.406 -0.2961 -0.0047 0.1776 123DOPE H14X15853 0.046 1.941 4.417 -0.1174 -0.6651 1.2682 123DOPE H14Y15854 -0.053 1.788 4.426 1.8264 0.2110 1.3847 123DOPE C31515855 -0.155 1.947 4.512 -0.2240 0.2841 0.1100 123DOPE H15X15856 -0.255 1.903 4.494 -0.1723 0.3452 -0.3566 123DOPE H15Y15857 -0.161 2.056 4.490 2.4849 0.6999 0.9755 123DOPE C31615858 -0.115 1.927 4.658 0.4249 0.1936 -0.0747 123DOPE H16X15859 -0.026 1.985 4.690 1.6585 -1.0002 -1.2474 123DOPE H16Y15860 -0.085 1.821 4.673 -0.6092 0.0582 1.2273 123DOPE C31715861 -0.233 1.972 4.745 0.1910 0.3705 -0.4825 123DOPE H17X15862 -0.327 1.914 4.737 0.2722 -0.3643 2.6920 123DOPE H17Y15863 -0.247 2.077 4.711 0.7314 0.6584 0.1475 123DOPE C31815864 -0.194 1.987 4.892 -0.0681 0.2654 -0.4032 123DOPE H18X15865 -0.284 1.990 4.957 0.4183 0.4294 0.2707 123DOPE H18Y15866 -0.135 2.078 4.913 0.6196 -0.3667 0.5048 123DOPE H18Z15867 -0.137 1.896 4.921 0.8822 0.0345 -2.8314 124DOPE N15868 2.842 0.558 2.489 -0.2235 0.5321 -0.2744 124DOPE HN115869 2.924 0.620 2.475 0.8968 -0.8882 -0.3009 124DOPE HN215870 2.762 0.614 2.524 -0.6059 0.5771 -1.2002 124DOPE HN315871 2.880 0.494 2.562 0.9500 -1.5219 -2.5409 124DOPE C1215872 2.800 0.492 2.360 -0.3752 -0.0123 0.0517 124DOPE H12A15873 2.884 0.431 2.321 -1.1725 -0.9625 -0.2316 124DOPE H12B15874 2.781 0.580 2.296 0.6317 1.1398 1.2886 124DOPE C1115875 2.674 0.407 2.377 -0.2434 -0.1410 0.4002 124DOPE H11A15876 2.649 0.356 2.281 0.5014 0.4527 -0.1198 124DOPE H11B15877 2.589 0.467 2.416 0.9446 -0.2389 3.3883 124DOPE P15878 2.729 0.158 2.430 -0.0178 0.1250 -0.1680 124DOPE O1315879 2.873 0.147 2.396 -0.2419 -0.3464 -0.9750 124DOPE O1415880 2.640 0.120 2.318 -0.3073 -0.2896 0.2005 124DOPE O1115881 2.692 0.067 2.556 0.2203 0.0861 -0.1261 124DOPE O1215882 2.694 0.307 2.478 -0.5520 -0.1846 0.4193 124DOPE C115883 2.562 0.081 2.614 0.1689 -0.0654 -0.2077 124DOPE HA15884 2.519 -0.020 2.633 1.0664 -0.5845 -0.7951 124DOPE HB15885 2.491 0.124 2.540 0.3212 -0.6840 -0.7311 124DOPE C215886 2.569 0.156 2.747 0.5432 0.5387 -0.5653 124DOPE HS15887 2.566 0.266 2.729 0.4673 0.6569 0.1468 124DOPE O2115888 2.686 0.125 2.824 0.1003 -0.2498 -0.2010 124DOPE C2115889 2.687 -0.002 2.865 -0.3049 -0.1037 0.2697 124DOPE O2215890 2.604 -0.088 2.841 -0.0720 -0.3781 0.4270 124DOPE C2215891 2.805 -0.025 2.959 -0.5131 -0.5017 0.4350 124DOPE H2R15892 2.893 0.007 2.899 -0.9315 1.8181 0.9666 124DOPE H2S15893 2.817 -0.129 2.996 0.5254 -0.5388 0.0183 124DOPE C315894 2.436 0.132 2.820 0.8475 0.4011 -0.0462 124DOPE HX15895 2.392 0.031 2.807 0.8956 0.5282 -1.2973 124DOPE HY15896 2.362 0.205 2.780 1.1559 2.3031 2.5979 124DOPE O3115897 2.442 0.148 2.962 0.0443 0.7264 -0.0407 124DOPE C3115898 2.453 0.275 3.001 -0.6437 0.7153 0.1933 124DOPE O3215899 2.479 0.367 2.926 -0.0505 0.3963 0.0011 124DOPE C3215900 2.433 0.270 3.152 0.0392 -0.1634 0.2636 124DOPE H2X15901 2.328 0.298 3.173 0.5207 1.4142 0.7622 124DOPE H2Y15902 2.453 0.163 3.175 1.9494 -0.0821 -0.8134 124DOPE C2315903 2.797 0.061 3.085 0.5169 -0.0465 0.2036 124DOPE H3R15904 2.712 0.030 3.149 -0.0033 0.6045 -0.1529 124DOPE H3S15905 2.773 0.165 3.055 -2.7670 -1.0098 -0.9770 124DOPE C2415906 2.921 0.064 3.174 0.5765 -0.1151 0.1223 124DOPE H4R15907 3.015 0.078 3.116 1.3562 -1.2078 1.0843 124DOPE H4S15908 2.932 -0.035 3.223 0.2170 -0.3668 -0.2860 124DOPE C2515909 2.924 0.187 3.265 0.2953 0.1338 -0.1989 124DOPE H5R15910 2.824 0.192 3.313 0.9935 0.3901 1.2797 124DOPE H5S15911 2.934 0.280 3.205 -1.0559 0.8694 0.6641 124DOPE C2615912 3.027 0.169 3.377 0.1369 -0.4751 -0.1450 124DOPE H6R15913 3.131 0.185 3.339 0.2942 -0.4499 0.2860 124DOPE H6S15914 3.032 0.064 3.412 0.6417 -0.5064 -0.3017 124DOPE C2715915 3.008 0.268 3.492 0.0446 -0.6005 -0.0526 124DOPE H7R15916 2.913 0.244 3.544 1.2626 -1.2004 2.0165 124DOPE H7S15917 3.012 0.376 3.467 0.9445 -0.6080 0.0109 124DOPE C2815918 3.121 0.258 3.596 0.0621 0.2796 0.0252 124DOPE H8R15919 3.219 0.293 3.559 -0.3880 -0.6373 -2.2874 124DOPE H8S15920 3.133 0.148 3.610 0.5174 0.5161 1.6471 124DOPE C2915921 3.069 0.321 3.722 -0.5690 -0.2246 0.0238 124DOPE H9R15922 2.963 0.311 3.750 -0.1367 1.0604 2.3150 124DOPE C21015923 3.131 0.418 3.789 -0.6987 0.1052 -0.3298 124DOPE H10R15924 3.078 0.468 3.871 -0.0076 1.8137 -0.8758 124DOPE C21115925 3.272 0.467 3.769 -0.6005 0.1383 0.3924 124DOPE H11R15926 3.286 0.576 3.751 -0.4763 0.2595 1.1943 124DOPE H11S15927 3.328 0.428 3.681 -0.3877 1.2365 0.0260 124DOPE C21215928 3.344 0.431 3.899 0.0959 0.1676 0.0176 124DOPE H12R15929 3.307 0.338 3.947 -2.1563 -0.2286 -2.2654 124DOPE H12S15930 3.317 0.506 3.976 0.1300 -1.0309 1.2273 124DOPE C21315931 3.496 0.421 3.880 0.1110 0.0505 0.2005 124DOPE H13R15932 3.534 0.517 3.839 -1.2879 0.8743 0.7691 124DOPE H13S15933 3.519 0.343 3.804 -0.1305 0.2977 -0.1325 124DOPE C21415934 3.567 0.378 4.008 0.6450 -0.5321 -0.2866 124DOPE H14R15935 3.643 0.302 3.977 -0.2223 -1.2601 -0.6907 124DOPE H14S15936 3.495 0.323 4.073 1.4532 0.9141 1.9224 124DOPE C21515937 3.641 0.490 4.081 -0.1661 -0.2676 0.1345 124DOPE H15R15938 3.702 0.459 4.168 -0.2991 -0.3589 0.1944 124DOPE H15S15939 3.709 0.534 4.006 1.0922 -1.1250 0.7484 124DOPE C21615940 3.547 0.599 4.133 0.5722 0.3891 0.1153 124DOPE H16R15941 3.491 0.556 4.219 -0.5533 0.5424 -0.5110 124DOPE H16S15942 3.472 0.637 4.060 0.3621 1.3326 0.7970 124DOPE C21715943 3.612 0.732 4.172 0.5079 0.3659 0.3062 124DOPE H17R15944 3.689 0.759 4.097 1.4309 -0.5266 0.9079 124DOPE H17S15945 3.663 0.724 4.270 2.5013 0.1302 -0.7093 124DOPE C21815946 3.520 0.853 4.175 -0.3271 -0.2476 -0.0683 124DOPE H18R15947 3.458 0.846 4.084 -0.2598 -1.3484 -0.0385 124DOPE H18S15948 3.573 0.951 4.176 -0.8488 0.0500 -0.8467 124DOPE H18T15949 3.442 0.848 4.255 -0.2445 0.1303 0.0384 124DOPE C3315950 2.538 0.357 3.223 0.5520 -0.7262 0.2045 124DOPE H3X15951 2.528 0.466 3.208 -0.9082 -0.5540 2.0345 124DOPE H3Y15952 2.633 0.331 3.172 1.0794 -0.7326 1.1778 124DOPE C3415953 2.548 0.335 3.374 -0.1775 -0.1363 0.3439 124DOPE H4X15954 2.447 0.321 3.419 -0.3753 1.9069 0.6203 124DOPE H4Y15955 2.594 0.235 3.387 -0.5563 -0.4558 -0.6341 124DOPE C3515956 2.633 0.438 3.449 -0.2404 0.0284 0.1914 124DOPE H5X15957 2.589 0.539 3.440 0.2114 0.3437 1.3313 124DOPE H5Y15958 2.729 0.441 3.393 -1.5054 -0.6856 -2.1594 124DOPE C3615959 2.655 0.404 3.596 0.1227 -0.7202 -0.0267 124DOPE H6X15960 2.681 0.296 3.594 -0.8946 -0.9675 -0.2471 124DOPE H6Y15961 2.745 0.457 3.634 -0.8118 0.7591 0.1983 124DOPE C3715962 2.525 0.432 3.672 0.2781 0.8826 -0.3173 124DOPE H7X15963 2.477 0.523 3.629 1.7331 1.9258 0.1715 124DOPE H7Y15964 2.462 0.350 3.632 0.1075 1.3177 -0.9423 124DOPE C3815965 2.529 0.438 3.825 0.2030 -0.2521 -0.2626 124DOPE H8X15966 2.560 0.337 3.859 0.5747 -0.1906 -0.4110 124DOPE H8Y15967 2.608 0.505 3.866 0.3271 -1.1369 0.9932 124DOPE C3915968 2.399 0.460 3.896 0.1151 -0.6535 -0.3007 124DOPE H9X15969 2.326 0.493 3.821 1.8228 0.0414 -1.7249 124DOPE C31015970 2.374 0.460 4.028 -0.3714 0.8637 -0.3760 124DOPE H10X15971 2.270 0.488 4.051 -0.9453 -1.5216 0.1357 124DOPE C31115972 2.465 0.442 4.146 -0.6526 -0.0605 -0.2954 124DOPE H11X15973 2.563 0.416 4.100 -1.7796 -0.8588 -2.3719 124DOPE H11Y15974 2.441 0.534 4.204 -3.4479 -1.0707 0.3094 124DOPE C31215975 2.426 0.321 4.231 -0.3091 0.0346 0.0017 124DOPE H12X15976 2.501 0.316 4.313 0.8947 0.0534 -1.0759 124DOPE H12Y15977 2.434 0.225 4.176 -0.0462 -0.9643 1.7045 124DOPE C31315978 2.283 0.322 4.284 -0.1666 0.2332 0.3808 124DOPE H13X15979 2.269 0.426 4.323 0.7934 -0.2911 2.2305 124DOPE H13Y15980 2.211 0.328 4.199 -1.2394 0.1752 1.2580 124DOPE C31415981 2.234 0.221 4.388 0.0882 -0.1404 0.1342 124DOPE H14X15982 2.239 0.122 4.338 1.1098 -0.8517 1.5641 124DOPE H14Y15983 2.126 0.243 4.399 0.4297 1.7071 0.0987 124DOPE C31515984 2.300 0.240 4.525 0.1214 0.1351 0.0794 124DOPE H15X15985 2.408 0.216 4.519 -0.2556 -1.8971 0.7319 124DOPE H15Y15986 2.291 0.346 4.556 -1.1431 0.0997 -0.0975 124DOPE C31615987 2.240 0.145 4.629 0.0050 -0.4300 -0.4987 124DOPE H16X15988 2.268 0.041 4.603 1.1994 -0.2036 -0.1673 124DOPE H16Y15989 2.298 0.159 4.723 1.4700 0.0578 -1.4340 124DOPE C31715990 2.089 0.150 4.653 0.0394 -0.0650 -0.3563 124DOPE H17X15991 2.056 0.083 4.735 0.0960 1.9352 1.3891 124DOPE H17Y15992 2.034 0.123 4.561 -0.4083 0.1638 -0.1562 124DOPE C31815993 2.032 0.285 4.697 0.3671 -0.0298 -0.0361 124DOPE H18X15994 1.925 0.282 4.726 0.3381 0.0655 -0.1351 124DOPE H18Y15995 2.084 0.328 4.785 1.6521 -0.3979 -0.5856 124DOPE H18Z15996 2.039 0.360 4.616 -2.9698 0.1458 -0.2748 125DOPE N15997 1.222 2.894 2.381 0.3580 0.5744 -0.0166 125DOPE HN115998 1.307 2.934 2.426 -0.3780 0.1920 1.8062 125DOPE HN215999 1.201 2.796 2.408 0.0321 0.6132 -0.1266 125DOPE HN316000 1.227 2.906 2.278 1.8365 0.4861 0.0203 125DOPE C1216001 1.110 2.985 2.424 -0.2029 -0.0994 -0.0353 125DOPE H12A16002 1.108 2.979 2.535 -1.1482 0.3529 -0.0091 125DOPE H12B16003 1.014 2.946 2.383 0.6140 -0.3552 -1.7825 125DOPE C1116004 1.127 3.134 2.395 0.2219 -0.1475 -0.0303 125DOPE H11A16005 1.040 3.183 2.443 -0.1855 0.3367 -1.2221 125DOPE H11B16006 1.117 3.154 2.286 -0.3242 -0.9226 -0.1322 125DOPE P16007 1.263 3.347 2.401 0.1837 -0.1261 0.4769 125DOPE O1316008 1.139 3.425 2.422 -0.0357 -0.2310 -0.4137 125DOPE O1416009 1.314 3.354 2.263 -0.5647 0.1203 0.2073 125DOPE O1116010 1.375 3.399 2.502 0.4914 0.2479 -0.0542 125DOPE O1216011 1.249 3.193 2.442 0.1551 -0.1965 0.2031 125DOPE C116012 1.469 3.308 2.561 0.5209 0.2011 -0.1734 125DOPE HA16013 1.555 3.366 2.602 -0.2818 -0.3297 2.4824 125DOPE HB16014 1.506 3.224 2.499 -0.8095 -1.7505 1.5328 125DOPE C216015 1.409 3.237 2.684 -0.0988 -0.1818 -0.6930 125DOPE HS16016 1.340 3.161 2.643 0.9501 -1.1980 -0.6149 125DOPE O2116017 1.336 3.339 2.753 0.3937 -0.1796 -0.1737 125DOPE C2116018 1.237 3.283 2.824 0.3159 -0.1776 -0.2805 125DOPE O2216019 1.219 3.163 2.823 -0.1890 -0.1202 0.7202 125DOPE C2216020 1.161 3.398 2.889 0.2910 -0.1335 -0.3875 125DOPE H2R16021 1.097 3.451 2.814 1.1479 1.3884 -0.0756 125DOPE H2S16022 1.231 3.470 2.935 -0.6398 -1.2900 3.1054 125DOPE C316023 1.514 3.166 2.771 -0.6827 0.0733 0.2324 125DOPE HX16024 1.563 3.092 2.705 0.2015 2.0005 -1.3685 125DOPE HY16025 1.456 3.108 2.846 -1.4545 -1.2582 -1.3268 125DOPE O3116026 1.616 3.250 2.825 -0.1787 -0.0661 -0.4944 125DOPE C3116027 1.589 3.299 2.946 -0.3643 0.4015 -0.7263 125DOPE O3216028 1.480 3.291 3.000 0.0146 -0.3514 -0.0673 125DOPE C3216029 1.711 3.362 3.011 -0.3783 -0.3038 -0.0037 125DOPE H2X16030 1.692 3.469 3.037 0.1393 -0.4134 0.8764 125DOPE H2Y16031 1.788 3.369 2.931 -0.7535 0.4481 -0.3113 125DOPE C2316032 1.070 3.336 2.995 0.0964 -0.2765 -0.6356 125DOPE H3R16033 1.028 3.239 2.959 -0.1104 0.2361 -1.8384 125DOPE H3S16034 0.981 3.400 3.015 -0.6401 -1.8609 1.6268 125DOPE C2416035 1.141 3.326 3.130 -0.5228 0.2653 -0.2676 125DOPE H4R16036 1.176 3.426 3.164 1.5886 -0.2243 -0.9043 125DOPE H4S16037 1.231 3.264 3.114 0.1102 0.8638 0.8174 125DOPE C2516038 1.049 3.265 3.236 -0.0700 0.2868 0.1383 125DOPE H5R16039 1.014 3.165 3.203 -0.1123 -0.2858 1.8206 125DOPE H5S16040 0.956 3.322 3.254 -0.0540 0.5750 -0.6642 125DOPE C2616041 1.118 3.242 3.371 -0.1349 0.3846 0.1883 125DOPE H6R16042 1.157 3.340 3.407 -0.5232 0.8177 -0.5445 125DOPE H6S16043 1.192 3.161 3.356 -0.7896 -0.6843 2.2530 125DOPE C2716044 1.018 3.205 3.481 -0.4260 -0.1195 -0.2397 125DOPE H7R16045 0.981 3.105 3.453 0.8966 -0.5778 -0.4365 125DOPE H7S16046 0.943 3.287 3.473 0.0915 0.1807 -2.6662 125DOPE C2816047 1.094 3.207 3.614 0.1518 -0.1566 -0.5686 125DOPE H8R16048 1.122 3.314 3.629 -2.6096 0.3481 1.9109 125DOPE H8S16049 1.184 3.143 3.600 0.4853 -0.0884 1.0411 125DOPE C2916050 1.018 3.150 3.729 0.3064 -0.2194 -0.4972 125DOPE H9R16051 1.016 3.041 3.744 1.2569 0.0191 1.7593 125DOPE C21016052 0.943 3.218 3.817 0.9615 -0.0785 -0.0406 125DOPE H10R16053 0.876 3.160 3.883 -1.0115 2.1134 0.0173 125DOPE C21116054 0.934 3.367 3.829 0.5931 -0.1406 0.4635 125DOPE H11R16055 0.854 3.403 3.760 0.0440 -0.3363 0.9838 125DOPE H11S16056 1.033 3.409 3.802 0.2215 -0.5370 -1.7043 125DOPE C21216057 0.884 3.419 3.965 0.1764 0.4347 0.0958 125DOPE H12R16058 0.773 3.412 3.962 0.2208 -0.2871 -0.2199 125DOPE H12S16059 0.919 3.523 3.980 -0.1402 0.7325 -1.0915 125DOPE C21316060 0.926 3.334 4.085 -0.1173 -0.4770 -0.4291 125DOPE H13R16061 1.035 3.313 4.077 0.1130 -0.5777 2.1841 125DOPE H13S16062 0.870 3.239 4.074 2.2021 -1.6880 -2.9220 125DOPE C21416063 0.896 3.397 4.222 0.3941 -0.1155 -0.4792 125DOPE H14R16064 0.955 3.491 4.224 0.2059 0.0813 -2.4468 125DOPE H14S16065 0.935 3.338 4.308 1.8751 0.6030 -0.6174 125DOPE C21516066 0.748 3.432 4.238 0.3744 -0.1252 -0.6390 125DOPE H15R16067 0.685 3.346 4.207 0.3569 0.2315 -1.6266 125DOPE H15S16068 0.720 3.519 4.175 -0.0194 2.1417 2.4489 125DOPE C21616069 0.722 3.467 4.384 -0.0398 -0.7539 -0.5603 125DOPE H16R16070 0.759 3.391 4.456 -0.9636 -0.4900 0.2268 125DOPE H16S16071 0.611 3.469 4.396 -0.2875 1.2226 -2.5596 125DOPE C21716072 0.786 3.602 4.417 -0.6456 -0.4414 -0.6424 125DOPE H17R16073 0.764 3.674 4.336 -2.9261 1.6501 1.6358 125DOPE H17S16074 0.895 3.584 4.424 -0.6591 0.0493 1.3190 125DOPE C21816075 0.737 3.655 4.552 -0.0001 -0.4607 -0.3969 125DOPE H18R16076 0.633 3.692 4.538 -0.3971 -0.5778 1.8700 125DOPE H18S16077 0.805 3.736 4.584 2.3001 -1.2934 -2.7784 125DOPE H18T16078 0.732 3.576 4.629 0.0675 -1.5917 -1.5165 125DOPE C3316079 1.743 3.278 3.135 -0.3937 -0.3599 -0.0377 125DOPE H3X16080 1.743 3.169 3.114 -1.5933 -0.8120 2.1002 125DOPE H3Y16081 1.654 3.290 3.200 0.3741 -0.7155 1.1153 125DOPE C3416082 1.873 3.320 3.204 -0.6489 0.1810 0.1256 125DOPE H4X16083 1.867 3.428 3.230 1.2327 0.5323 -0.7106 125DOPE H4Y16084 1.950 3.302 3.125 -1.2674 -4.8699 0.3195 125DOPE C3516085 1.909 3.247 3.334 -0.0709 0.1523 -0.0478 125DOPE H5X16086 2.005 3.291 3.369 0.2845 -1.0097 0.4947 125DOPE H5Y16087 1.929 3.139 3.317 -1.7618 0.0353 -1.6022 125DOPE C3616088 1.804 3.274 3.442 -0.1302 -0.7631 0.1343 125DOPE H6X16089 1.765 3.375 3.416 0.4766 -0.5353 0.0847 125DOPE H6Y16090 1.726 3.198 3.422 0.1582 -0.9349 -0.3621 125DOPE C3716091 1.854 3.276 3.586 0.0171 -0.1764 0.0790 125DOPE H7X16092 1.915 3.184 3.594 0.9215 0.0851 -2.8720 125DOPE H7Y16093 1.921 3.362 3.605 0.4489 -0.8849 2.0421 125DOPE C3816094 1.740 3.294 3.687 -0.0086 0.5098 -0.0633 125DOPE H8X16095 1.649 3.237 3.659 1.2354 -1.5815 -0.1070 125DOPE H8Y16096 1.712 3.401 3.689 0.3798 0.6481 -1.2591 125DOPE C3916097 1.783 3.264 3.828 -0.7441 0.0829 0.0789 125DOPE H9X16098 1.739 3.172 3.868 1.4852 0.1468 3.0274 125DOPE C31016099 1.871 3.320 3.913 0.1621 -0.7684 -0.2749 125DOPE H10X16100 1.881 3.278 4.014 0.5576 1.8845 0.8831 125DOPE C31116101 1.957 3.440 3.885 -0.4181 -0.3329 -0.2125 125DOPE H11X16102 1.928 3.477 3.784 0.7912 -0.5316 -0.6539 125DOPE H11Y16103 2.063 3.407 3.884 0.0792 0.9953 1.9639 125DOPE C31216104 1.941 3.555 3.984 -0.3754 -0.4068 -0.1196 125DOPE H12X16105 2.011 3.632 3.946 -0.2559 -0.8109 -0.7209 125DOPE H12Y16106 1.847 3.614 3.992 0.4691 0.7790 4.5797 125DOPE C31316107 1.981 3.521 4.128 0.0523 -0.1050 -0.1633 125DOPE H13X16108 1.891 3.472 4.171 0.6628 -0.4668 0.7183 125DOPE H13Y16109 2.067 3.452 4.125 1.2346 1.3005 0.3072 125DOPE C31416110 2.018 3.643 4.213 0.1122 0.0277 -0.3800 125DOPE H14X16111 1.940 3.721 4.211 0.5087 0.4190 -1.6123 125DOPE H14Y16112 2.104 3.695 4.165 -0.1897 0.6858 -0.2177 125DOPE C31516113 2.037 3.613 4.362 0.5762 0.3512 -0.3714 125DOPE H15X16114 1.948 3.557 4.397 1.5979 -0.7880 0.4612 125DOPE H15Y16115 2.127 3.550 4.373 0.4809 0.3604 0.4810 125DOPE C31616116 2.038 3.737 4.452 -0.1668 -0.0131 0.1497 125DOPE H16X16117 2.048 3.719 4.561 1.2876 -0.8153 -0.0906 125DOPE H16Y16118 1.937 3.782 4.442 -0.3040 -0.0392 1.3516 125DOPE C31716119 2.141 3.841 4.408 -0.3624 0.0726 -0.1072 125DOPE H17X16120 2.240 3.792 4.423 -0.6810 -0.3239 0.7346 125DOPE H17Y16121 2.132 3.867 4.300 -0.8490 2.2240 0.4037 125DOPE C31816122 2.125 3.972 4.484 0.6793 0.3269 -0.3021 125DOPE H18X16123 2.201 4.046 4.452 -1.4650 2.5160 -0.6361 125DOPE H18Y16124 2.133 3.941 4.591 -0.0497 -0.9415 -0.5964 125DOPE H18Z16125 2.021 4.011 4.472 0.0218 -0.7003 1.6531 126DOPE N16126 4.175 4.926 2.346 -0.2582 0.0759 -0.2676 126DOPE HN116127 4.085 4.883 2.373 0.3222 -0.1781 1.3828 126DOPE HN216128 4.179 5.017 2.395 -1.4234 -1.0149 1.9830 126DOPE HN316129 4.169 4.946 2.244 0.1196 -2.1148 -0.7758 126DOPE C1216130 4.295 4.842 2.384 -0.3514 0.4262 0.8440 126DOPE H12A16131 4.381 4.907 2.357 -0.1954 -0.0942 0.0395 126DOPE H12B16132 4.298 4.755 2.314 -1.7046 1.2815 -0.3425 126DOPE C1116133 4.289 4.793 2.529 0.2570 -0.5409 0.5530 126DOPE H11A16134 4.287 4.885 2.591 1.1365 1.2137 -1.8678 126DOPE H11B16135 4.391 4.755 2.552 1.6100 1.3715 -1.7592 126DOPE P16136 4.213 4.555 2.552 0.0045 -0.1001 0.2062 126DOPE O1316137 4.330 4.523 2.637 -0.0257 -0.0405 0.2706 126DOPE O1416138 4.211 4.513 2.410 0.0920 0.8009 -0.0662 126DOPE O1116139 4.085 4.487 2.620 -0.1966 0.3079 0.2343 126DOPE O1216140 4.176 4.710 2.557 -0.0947 -0.1286 0.3702 126DOPE C116141 3.956 4.549 2.622 -0.3493 0.0152 -0.3305 126DOPE HA16142 3.889 4.461 2.631 0.8987 -0.9549 -0.3337 126DOPE HB16143 3.939 4.602 2.526 1.3851 1.5281 0.1439 126DOPE C216144 3.936 4.636 2.747 -0.2011 0.1512 -0.4014 126DOPE HS16145 3.996 4.729 2.731 2.0128 -0.7168 2.0714 126DOPE O2116146 3.987 4.572 2.864 -0.1167 -0.0699 -0.5597 126DOPE C2116147 3.923 4.464 2.909 -0.0607 0.2590 0.3363 126DOPE O2216148 3.823 4.417 2.858 -0.0632 0.4915 0.1296 126DOPE C2216149 3.978 4.426 3.046 0.1495 -0.4504 0.0650 126DOPE H2R16150 4.082 4.461 3.058 0.3348 -0.0755 -2.1830 126DOPE H2S16151 3.966 4.316 3.049 -1.4902 -0.3554 -1.4619 126DOPE C316152 3.794 4.692 2.770 -0.2558 -0.1158 -0.0811 126DOPE HX16153 3.724 4.606 2.771 1.8951 -1.9795 1.1352 126DOPE HY16154 3.759 4.757 2.687 1.1738 -0.7633 -1.2511 126DOPE O3116155 3.798 4.774 2.887 0.3705 -0.3941 0.1027 126DOPE C3116156 3.678 4.794 2.941 0.3543 -0.3396 0.0471 126DOPE O3216157 3.574 4.746 2.899 -0.0109 0.2602 0.2498 126DOPE C3216158 3.685 4.887 3.062 -0.1987 -0.2478 0.0109 126DOPE H2X16159 3.789 4.911 3.092 -0.5049 1.6101 -0.3071 126DOPE H2Y16160 3.643 4.988 3.040 -1.1482 -0.2774 1.5701 126DOPE C2316161 3.885 4.486 3.152 -0.1406 -0.1301 -0.3692 126DOPE H3R16162 3.780 4.449 3.154 -1.0294 2.2271 -0.3187 126DOPE H3S16163 3.879 4.597 3.140 -1.2891 0.0870 1.7625 126DOPE C2416164 3.937 4.467 3.294 0.0363 0.0941 -0.4029 126DOPE H4R16165 4.041 4.507 3.293 -0.2482 0.8678 0.0739 126DOPE H4S16166 3.939 4.359 3.322 -2.3164 0.1322 0.1823 126DOPE C2516167 3.865 4.544 3.405 0.0454 -0.4340 -0.0250 126DOPE H5R16168 3.759 4.528 3.378 0.5744 -0.7410 -2.0989 126DOPE H5S16169 3.894 4.651 3.405 0.5121 -0.5461 1.1423 126DOPE C2616170 3.906 4.493 3.543 0.1143 -0.0764 0.0872 126DOPE H6R16171 4.017 4.504 3.538 -0.0127 0.7411 -1.2657 126DOPE H6S16172 3.875 4.387 3.556 0.8990 -0.3686 -0.3526 126DOPE C2716173 3.853 4.572 3.663 0.3346 0.1354 0.0467 126DOPE H7R16174 3.743 4.581 3.674 0.5552 2.0723 1.1065 126DOPE H7S16175 3.897 4.673 3.648 0.2809 -0.1704 -2.4305 126DOPE C2816176 3.901 4.515 3.797 -0.7026 -0.3953 0.2023 126DOPE H8R16177 4.010 4.537 3.803 -0.4680 -1.4172 -0.0659 126DOPE H8S16178 3.882 4.405 3.792 -0.1787 -0.6258 2.1776 126DOPE C2916179 3.826 4.550 3.922 -0.1228 0.4733 0.3116 126DOPE H9R16180 3.716 4.542 3.919 -0.0754 -0.0526 -0.2584 126DOPE C21016181 3.889 4.569 4.039 -0.2851 -0.1420 0.5022 126DOPE H10R16182 3.835 4.604 4.128 0.4864 -2.3918 1.9446 126DOPE C21116183 4.037 4.561 4.066 -0.1180 0.5158 -0.1790 126DOPE H11R16184 4.098 4.555 3.974 -0.3626 -2.3118 -0.2344 126DOPE H11S16185 4.054 4.465 4.120 -0.7787 0.1049 -0.6884 126DOPE C21216186 4.080 4.677 4.156 0.2357 0.1511 0.1271 126DOPE H12R16187 3.994 4.699 4.224 1.4622 1.4532 1.3130 126DOPE H12S16188 4.095 4.776 4.108 0.0223 -0.2483 -0.7694 126DOPE C21316189 4.203 4.645 4.241 0.1404 -0.1652 0.1480 126DOPE H13R16190 4.232 4.744 4.282 -1.7942 1.6451 -2.5360 126DOPE H13S16191 4.286 4.620 4.171 -2.0739 -2.1447 -1.9689 126DOPE C21416192 4.179 4.539 4.348 -0.1958 -0.2044 0.0343 126DOPE H14R16193 4.141 4.445 4.301 -1.1166 -0.4406 1.1930 126DOPE H14S16194 4.094 4.573 4.410 0.0419 1.9358 -0.7382 126DOPE C21516195 4.301 4.508 4.436 -0.3791 0.8544 0.6724 126DOPE H15R16196 4.351 4.601 4.470 0.3507 -0.5572 3.7576 126DOPE H15S16197 4.375 4.446 4.382 -0.8777 0.1276 0.8125 126DOPE C21616198 4.276 4.428 4.563 -1.1111 0.0521 0.0394 126DOPE H16R16199 4.182 4.471 4.606 -0.5956 -0.7232 2.0882 126DOPE H16S16200 4.355 4.452 4.638 -0.9202 2.2487 -0.7947 126DOPE C21716201 4.273 4.277 4.537 0.6134 0.0131 -0.0327 126DOPE H17R16202 4.371 4.240 4.499 0.7334 -0.6317 0.8873 126DOPE H17S16203 4.204 4.266 4.450 0.6722 1.0882 -0.2310 126DOPE C21816204 4.235 4.198 4.662 0.3720 0.4111 0.1489 126DOPE H18R16205 4.258 4.092 4.639 2.0026 1.1719 -2.0864 126DOPE H18S16206 4.134 4.205 4.707 0.8977 -1.7981 1.8619 126DOPE H18T16207 4.301 4.227 4.746 -0.7464 0.6810 0.9544 126DOPE C3316208 3.618 4.819 3.181 -0.0523 -0.0578 0.2012 126DOPE H3X16209 3.654 4.714 3.186 -0.2883 -0.2605 -1.6557 126DOPE H3Y16210 3.508 4.813 3.164 -0.1963 0.0662 1.0447 126DOPE C3416211 3.649 4.901 3.306 0.5727 -0.3229 0.2217 126DOPE H4X16212 3.756 4.930 3.309 0.3580 1.4224 -3.6236 126DOPE H4Y16213 3.593 4.996 3.301 -0.1609 -0.7672 -0.1166 126DOPE C3516214 3.607 4.830 3.436 -0.1848 -0.3194 -0.0176 126DOPE H5X16215 3.679 4.747 3.450 -0.4373 -0.6038 -0.4076 126DOPE H5Y16216 3.505 4.787 3.433 -0.3942 -0.1211 2.5353 126DOPE C3616217 3.602 4.916 3.562 -0.0362 -0.0996 -0.1597 126DOPE H6X16218 3.708 4.931 3.591 0.6011 1.2521 -2.8610 126DOPE H6Y16219 3.576 5.022 3.540 2.6607 0.5286 -0.6287 126DOPE C3716220 3.535 4.851 3.683 0.2606 -0.3828 -0.1478 126DOPE H7X16221 3.426 4.863 3.665 0.5345 0.5955 -1.1969 126DOPE H7Y16222 3.559 4.742 3.676 -0.6327 -0.6621 0.8742 126DOPE C3816223 3.563 4.908 3.822 -0.1084 -0.4344 -0.0517 126DOPE H8X16224 3.550 5.018 3.811 -2.3622 -0.6501 -0.0500 126DOPE H8Y16225 3.492 4.870 3.899 0.0112 -1.0906 -0.2610 126DOPE C3916226 3.701 4.875 3.870 0.0140 0.2949 0.1113 126DOPE H9X16227 3.746 4.789 3.818 0.2183 0.2840 0.3050 126DOPE C31016228 3.768 4.928 3.973 0.0247 -0.3354 0.4330 126DOPE H10X16229 3.872 4.898 3.992 0.1110 0.4277 1.2482 126DOPE C31116230 3.717 5.040 4.059 -0.0531 0.0611 -0.1282 126DOPE H11X16231 3.636 5.096 4.007 -1.4448 -1.0863 0.7361 126DOPE H11Y16232 3.666 4.990 4.144 -0.3297 -0.4484 -0.5857 126DOPE C31216233 3.815 5.134 4.129 -0.5096 0.0399 0.5506 126DOPE H12X16234 3.761 5.223 4.169 -0.7404 0.2475 -0.2061 126DOPE H12Y16235 3.890 5.158 4.050 0.1735 -1.7815 0.5889 126DOPE C31316236 3.891 5.078 4.249 -0.3658 0.3683 0.6139 126DOPE H13X16237 3.823 5.055 4.335 -0.2114 -1.4530 0.2948 126DOPE H13Y16238 3.920 4.976 4.216 0.5297 0.2716 1.6319 126DOPE C31416239 4.013 5.168 4.269 -0.1369 0.1823 0.0582 126DOPE H14X16240 3.967 5.267 4.287 0.5716 1.0591 -2.6204 126DOPE H14Y16241 4.085 5.165 4.185 0.0651 0.0116 0.2322 126DOPE C31516242 4.089 5.124 4.395 0.3003 0.5116 -0.0895 126DOPE H15X16243 4.142 5.029 4.371 -0.5006 -0.4458 1.6988 126DOPE H15Y16244 4.024 5.090 4.478 0.5556 1.6171 0.5789 126DOPE C31616245 4.178 5.235 4.451 0.4565 0.2327 0.2151 126DOPE H16X16246 4.122 5.318 4.500 0.7236 0.1058 0.7467 126DOPE H16Y16247 4.236 5.280 4.368 -0.6956 1.7076 0.1739 126DOPE C31716248 4.273 5.186 4.561 0.5965 0.5973 0.2561 126DOPE H17X16249 4.323 5.275 4.605 -0.2007 0.7112 0.9536 126DOPE H17Y16250 4.355 5.128 4.514 -0.1301 0.0170 -0.3259 126DOPE C31816251 4.203 5.102 4.667 0.1233 -0.0113 -0.5290 126DOPE H18X16252 4.278 5.071 4.743 -0.8126 -1.5820 -0.2073 126DOPE H18Y16253 4.112 5.149 4.710 -0.7284 -1.1282 -1.0813 126DOPE H18Z16254 4.171 5.006 4.621 0.6821 -0.5494 0.1815 127DOPE N16255 6.068 5.916 2.081 -0.1111 -0.1008 -0.2168 127DOPE HN116256 6.133 5.966 2.144 0.8104 0.0370 -1.2357 127DOPE HN216257 5.993 5.874 2.139 0.1433 -0.6460 -0.2757 127DOPE HN316258 6.126 5.845 2.032 0.9569 0.2426 0.5151 127DOPE C1216259 5.997 6.007 1.983 -0.3836 -0.5032 -0.4000 127DOPE H12A16260 5.938 5.941 1.916 -1.2844 -0.4862 0.3626 127DOPE H12B16261 6.073 6.058 1.920 -0.0485 -0.9013 -0.3244 127DOPE C1116262 5.899 6.100 2.055 0.0529 -0.0321 -0.4074 127DOPE H11A16263 5.819 6.038 2.101 1.1491 -0.7757 0.5626 127DOPE H11B16264 5.850 6.155 1.972 -2.0591 0.1038 0.8696 127DOPE P16265 5.973 6.340 2.130 0.2062 -0.0052 0.2636 127DOPE O1316266 5.842 6.401 2.161 0.0023 -0.3519 0.0925 127DOPE O1416267 6.034 6.376 1.999 -0.3698 -0.1592 -0.0520 127DOPE O1116268 6.071 6.389 2.246 0.1920 -0.1800 0.3509 127DOPE O1216269 5.962 6.183 2.154 -0.8761 0.0470 0.1259 127DOPE C116270 6.172 6.305 2.304 0.1170 -0.4184 0.1354 127DOPE HA16271 6.266 6.365 2.306 1.0214 -1.8244 1.7803 127DOPE HB16272 6.180 6.212 2.244 -1.0690 0.8208 -2.0789 127DOPE C216273 6.136 6.284 2.452 -0.1286 0.0884 0.1525 127DOPE HS16274 6.056 6.207 2.445 -0.2390 -0.0459 2.2684 127DOPE O2116275 6.080 6.409 2.493 0.4983 0.4123 0.0320 127DOPE C2116276 5.992 6.400 2.592 0.2222 -0.3791 -0.2773 127DOPE O2216277 5.933 6.296 2.618 -0.1796 -0.0193 0.2653 127DOPE C2216278 5.956 6.538 2.644 0.1723 -0.2852 -0.5595 127DOPE H2R16279 5.862 6.563 2.590 1.0036 3.3065 -0.5994 127DOPE H2S16280 6.037 6.611 2.623 -0.4682 0.9236 0.9691 127DOPE C316281 6.259 6.235 2.531 -0.2305 -0.3232 0.0587 127DOPE HX16282 6.339 6.311 2.528 0.3800 -0.9565 0.0784 127DOPE HY16283 6.297 6.147 2.476 0.3873 0.2253 -0.4062 127DOPE O3116284 6.234 6.210 2.670 -0.4824 -0.4026 -0.0004 127DOPE C3116285 6.164 6.100 2.698 -0.3045 -0.4673 0.1874 127DOPE O3216286 6.119 6.016 2.622 0.3871 -0.4983 -0.1952 127DOPE C3216287 6.147 6.095 2.850 0.2813 -0.0590 0.2672 127DOPE H2X16288 6.231 6.152 2.896 2.0202 -1.3610 -1.1175 127DOPE H2Y16289 6.048 6.143 2.864 -0.7981 -0.5744 -3.9897 127DOPE C2316290 5.938 6.528 2.796 -0.0046 -0.0371 -0.5630 127DOPE H3R16291 5.853 6.459 2.818 1.2353 -0.4964 3.5319 127DOPE H3S16292 5.897 6.624 2.833 1.9307 0.1102 1.3398 127DOPE C2416293 6.067 6.496 2.871 -0.3798 0.0064 0.1036 127DOPE H4R16294 6.150 6.542 2.813 1.3611 -1.1010 1.5934 127DOPE H4S16295 6.096 6.389 2.864 -2.1489 -0.5891 1.0887 127DOPE C2516296 6.063 6.545 3.016 0.0431 -0.1125 0.1555 127DOPE H5R16297 5.989 6.491 3.079 -0.7094 1.3610 0.5807 127DOPE H5S16298 6.042 6.653 3.007 0.7758 -0.0234 -0.5568 127DOPE C2616299 6.201 6.524 3.079 -0.0116 -0.2975 0.2204 127DOPE H6R16300 6.214 6.599 3.159 0.9872 -0.4900 0.2583 127DOPE H6S16301 6.276 6.556 3.003 0.3415 -1.3963 0.0756 127DOPE C2716302 6.244 6.383 3.121 -0.0502 -0.4358 -0.2010 127DOPE H7R16303 6.231 6.312 3.036 -0.7299 0.1576 -0.6090 127DOPE H7S16304 6.163 6.359 3.194 1.4024 1.6759 2.2245 127DOPE C2816305 6.382 6.395 3.185 -0.2034 0.0492 0.0415 127DOPE H8R16306 6.374 6.453 3.279 -0.5947 2.1703 -1.2401 127DOPE H8S16307 6.449 6.452 3.117 0.3733 0.2448 0.7632 127DOPE C2916308 6.446 6.259 3.192 0.0122 0.1691 0.4154 127DOPE H9R16309 6.519 6.237 3.114 0.2844 -4.1679 1.6488 127DOPE C21016310 6.432 6.180 3.299 -0.4087 -0.5346 -0.1474 127DOPE H10R16311 6.484 6.083 3.291 0.8153 0.2217 -1.9753 127DOPE C21116312 6.350 6.210 3.422 0.3310 -0.2933 0.2978 127DOPE H11R16313 6.245 6.241 3.407 -0.7481 -2.6993 2.1098 127DOPE H11S16314 6.402 6.287 3.482 0.7255 1.2036 -1.8602 127DOPE C21216315 6.344 6.087 3.513 0.0572 -0.3533 0.1997 127DOPE H12R16316 6.450 6.060 3.533 -0.4478 -1.4111 1.6210 127DOPE H12S16317 6.293 6.002 3.464 1.3317 -4.0854 4.6426 127DOPE C21316318 6.287 6.115 3.653 -0.2073 -0.1554 0.0528 127DOPE H13R16319 6.187 6.164 3.644 -0.2735 -0.3220 -0.1413 127DOPE H13S16320 6.348 6.200 3.689 1.1356 0.0678 -2.4820 127DOPE C21416321 6.295 6.004 3.758 0.0020 -0.1404 0.0534 127DOPE H14R16322 6.221 5.928 3.722 0.8655 -1.1207 0.2936 127DOPE H14S16323 6.394 5.954 3.761 0.5363 0.8931 0.1012 127DOPE C21516324 6.273 6.052 3.901 -0.2654 0.1452 -0.0823 127DOPE H15R16325 6.355 6.120 3.930 -0.5393 0.9456 -1.1317 127DOPE H15S16326 6.282 5.968 3.973 0.2870 -0.9062 -1.3409 127DOPE C21616327 6.138 6.121 3.923 -0.1126 0.4149 0.0157 127DOPE H16R16328 6.118 6.207 3.855 0.7326 1.6406 1.2795 127DOPE H16S16329 6.126 6.149 4.029 0.4428 -0.1954 0.2466 127DOPE C21716330 6.026 6.022 3.889 -0.1407 0.2914 0.4600 127DOPE H17R16331 6.045 5.925 3.941 0.6800 -0.2634 -0.8243 127DOPE H17S16332 6.035 6.003 3.780 -0.3443 1.0856 0.2987 127DOPE C21816333 5.885 6.077 3.913 -0.0266 1.0278 -0.4952 127DOPE H18R16334 5.885 6.180 3.873 3.8651 0.8832 -1.2968 127DOPE H18S16335 5.867 6.074 4.023 -1.6538 0.1442 -0.7581 127DOPE H18T16336 5.814 6.011 3.859 -0.7373 0.4354 1.0972 127DOPE C3316337 6.151 5.950 2.898 -0.4497 -0.1945 -0.0602 127DOPE H3X16338 6.255 5.916 2.879 -1.6714 -3.0684 -2.4775 127DOPE H3Y16339 6.088 5.888 2.831 -0.1890 0.0205 -0.5128 127DOPE C3416340 6.130 5.931 3.048 -0.2936 -0.1396 -0.0306 127DOPE H4X16341 6.179 6.015 3.100 -1.0207 0.2806 -0.0030 127DOPE H4Y16342 6.022 5.922 3.074 -0.5789 -1.3103 -1.4347 127DOPE C3516343 6.192 5.799 3.095 -0.2107 0.0024 0.2614 127DOPE H5X16344 6.295 5.796 3.055 -0.5494 -0.6480 -0.5835 127DOPE H5Y16345 6.137 5.710 3.056 -0.2162 0.9829 -2.1614 127DOPE C3616346 6.201 5.786 3.247 -0.2318 0.2942 0.2877 127DOPE H6X16347 6.244 5.883 3.282 -0.2471 0.1799 0.6267 127DOPE H6Y16348 6.100 5.793 3.291 -1.1230 0.4040 -1.6888 127DOPE C3716349 6.288 5.671 3.298 -0.4481 -0.0502 -0.1242 127DOPE H7X16350 6.252 5.580 3.244 0.6388 -0.7523 0.2944 127DOPE H7Y16351 6.394 5.684 3.269 0.0786 0.8820 2.0401 127DOPE C3816352 6.271 5.647 3.448 0.0904 0.1384 -0.0311 127DOPE H8X16353 6.249 5.746 3.492 -1.4997 0.4399 -1.4250 127DOPE H8Y16354 6.180 5.584 3.459 0.7168 -0.8458 -0.3603 127DOPE C3916355 6.391 5.578 3.506 0.1224 0.2237 0.0038 127DOPE H9X16356 6.467 5.547 3.433 -0.4295 -0.7423 -0.1820 127DOPE C31016357 6.407 5.557 3.637 -0.0684 -0.0317 -0.0138 127DOPE H10X16358 6.497 5.516 3.685 -0.0635 1.0534 0.9668 127DOPE C31116359 6.305 5.605 3.737 0.1515 -0.0243 0.2072 127DOPE H11X16360 6.243 5.690 3.703 -0.5492 -0.8225 -0.5795 127DOPE H11Y16361 6.226 5.530 3.764 -0.4005 0.9248 1.3334 127DOPE C31216362 6.372 5.632 3.872 -0.3412 0.3732 0.3761 127DOPE H12X16363 6.303 5.692 3.935 0.0784 0.1840 1.0261 127DOPE H12Y16364 6.455 5.704 3.856 0.9213 -0.9962 0.5039 127DOPE C31316365 6.412 5.506 3.950 0.4117 0.2715 -0.1616 127DOPE H13X16366 6.330 5.476 4.019 -0.1536 0.0733 -0.8971 127DOPE H13Y16367 6.423 5.420 3.880 0.9487 -0.7737 1.1594 127DOPE C31416368 6.546 5.509 4.022 0.3020 0.7430 0.0263 127DOPE H14X16369 6.554 5.606 4.076 0.0464 0.3938 0.7025 127DOPE H14Y16370 6.625 5.494 3.945 1.2214 -1.7258 1.3072 127DOPE C31516371 6.559 5.400 4.129 0.1475 0.3555 -0.3480 127DOPE H15X16372 6.528 5.306 4.079 0.7462 1.3964 -2.8129 127DOPE H15Y16373 6.487 5.430 4.207 0.4395 0.3658 -0.0788 127DOPE C31616374 6.698 5.398 4.193 -0.1134 0.0390 0.2164 127DOPE H16X16375 6.764 5.402 4.103 -2.2627 -0.0803 -1.4251 127DOPE H16Y16376 6.704 5.294 4.232 0.8082 -0.8095 -1.9996 127DOPE C31716377 6.740 5.494 4.304 -0.0601 -0.2775 0.4742 127DOPE H17X16378 6.671 5.492 4.391 1.2194 -0.0240 1.5245 127DOPE H17Y16379 6.748 5.594 4.255 -1.5728 -1.0983 -1.6089 127DOPE C31816380 6.880 5.469 4.359 -0.2715 -0.4812 0.9205 127DOPE H18X16381 6.964 5.461 4.286 -0.6745 -0.7809 0.4848 127DOPE H18Y16382 6.886 5.531 4.451 -1.8758 -1.6627 1.8749 127DOPE H18Z16383 6.882 5.368 4.405 -0.3263 -0.9657 -0.1341 128DOPE N16384 2.445 1.832 2.563 0.2038 -0.0712 -0.1003 128DOPE HN116385 2.471 1.788 2.472 2.8529 1.2774 -0.1214 128DOPE HN216386 2.430 1.775 2.649 -2.4768 0.0536 -0.4266 128DOPE HN316387 2.362 1.894 2.559 0.3617 0.2712 1.4077 128DOPE C1216388 2.557 1.930 2.590 0.2464 -0.1512 0.0161 128DOPE H12A16389 2.569 1.998 2.503 1.2688 -1.3638 -0.8323 128DOPE H12B16390 2.649 1.870 2.575 0.5624 0.7252 -1.9689 128DOPE C1116391 2.555 2.007 2.722 -0.3268 -0.1576 0.0150 128DOPE H11A16392 2.658 2.020 2.762 0.2871 -1.9211 -0.9081 128DOPE H11B16393 2.507 1.941 2.797 1.4776 0.5817 1.9108 128DOPE P16394 2.553 2.262 2.672 -0.2282 -0.1668 -0.0933 128DOPE O1316395 2.474 2.382 2.704 0.0051 0.0045 -0.1536 128DOPE O1416396 2.604 2.249 2.533 -0.2503 -0.0269 -0.1136 128DOPE O1116397 2.680 2.263 2.769 -0.3086 -0.3227 0.0148 128DOPE O1216398 2.477 2.126 2.711 -0.2568 -0.1080 0.0550 128DOPE C116399 2.794 2.346 2.743 0.2995 -0.8994 0.7840 128DOPE HA16400 2.773 2.425 2.668 0.8382 -1.1306 0.3876 128DOPE HB16401 2.871 2.288 2.689 0.1083 0.7143 -1.3488 128DOPE C216402 2.853 2.406 2.872 -0.1601 0.0865 0.5477 128DOPE HS16403 2.888 2.317 2.929 0.9484 0.7726 0.9638 128DOPE O2116404 2.753 2.456 2.961 -0.0577 0.3482 0.5174 128DOPE C2116405 2.676 2.558 2.921 0.1373 0.3014 0.0088 128DOPE O2216406 2.687 2.622 2.818 0.2197 0.1393 -0.0841 128DOPE C2216407 2.583 2.586 3.038 -0.3043 -0.3303 -0.1815 128DOPE H2R16408 2.490 2.527 3.035 -0.7189 0.1839 -5.0756 128DOPE H2S16409 2.558 2.694 3.031 0.1556 -0.2559 -0.7673 128DOPE C316410 2.970 2.503 2.848 0.0748 -0.4668 -0.6145 128DOPE HX16411 2.941 2.585 2.779 3.7146 0.5774 -1.1144 128DOPE HY16412 3.055 2.454 2.795 1.9582 1.0156 0.9100 128DOPE O3116413 3.006 2.569 2.970 -0.0603 -0.5439 -0.5325 128DOPE C3116414 3.101 2.510 3.043 0.0420 -0.1954 -0.3848 128DOPE O3216415 3.164 2.409 3.017 0.4148 -0.2342 0.6202 128DOPE C3216416 3.120 2.592 3.170 -0.5744 -0.4007 -0.1553 128DOPE H2X16417 3.136 2.697 3.140 2.1588 -0.6297 0.1725 128DOPE H2Y16418 3.030 2.586 3.234 -0.8048 -0.2519 -0.4643 128DOPE C2316419 2.655 2.565 3.172 -0.2361 -0.2468 -0.2041 128DOPE H3R16420 2.748 2.624 3.160 0.4028 -1.0865 0.5365 128DOPE H3S16421 2.674 2.459 3.199 -4.5778 -0.9302 1.0268 128DOPE C2416422 2.580 2.632 3.288 0.3945 -0.1256 0.1366 128DOPE H4R16423 2.483 2.580 3.302 -0.0060 0.6683 0.3487 128DOPE H4S16424 2.552 2.735 3.259 0.3450 -0.1035 0.2639 128DOPE C2516425 2.662 2.621 3.417 0.4852 0.1311 0.1020 128DOPE H5R16426 2.769 2.616 3.391 0.6198 -0.3006 0.7163 128DOPE H5S16427 2.644 2.525 3.470 -0.8718 -0.6245 -1.6244 128DOPE C2616428 2.612 2.732 3.510 -0.0601 -0.1376 0.1382 128DOPE H6R16429 2.502 2.716 3.512 -0.0942 0.1176 0.4226 128DOPE H6S16430 2.635 2.834 3.473 3.1089 -1.0583 -0.7726 128DOPE C2716431 2.673 2.718 3.650 -0.0013 -0.2865 0.0982 128DOPE H7R16432 2.776 2.758 3.651 -0.6747 1.6087 -1.0481 128DOPE H7S16433 2.675 2.613 3.687 0.1298 -1.0519 -1.9888 128DOPE C2816434 2.599 2.811 3.747 -0.1048 -0.2853 0.0180 128DOPE H8R16435 2.491 2.784 3.744 0.0796 -1.2286 1.3735 128DOPE H8S16436 2.601 2.919 3.720 1.7374 -0.0389 1.0276 128DOPE C2916437 2.658 2.785 3.882 0.1034 0.2123 0.0245 128DOPE H9R16438 2.614 2.702 3.939 0.4542 1.3084 1.9680 128DOPE C21016439 2.752 2.857 3.944 0.2506 -0.2353 0.3283 128DOPE H10R16440 2.783 2.835 4.047 -0.2481 -1.8153 0.1661 128DOPE C21116441 2.811 2.980 3.880 -0.5861 0.1824 0.3427 128DOPE H11R16442 2.822 2.967 3.770 0.0279 1.2973 0.2610 128DOPE H11S16443 2.916 2.997 3.913 0.2816 -0.1017 -2.0459 128DOPE C21216444 2.733 3.107 3.911 -0.5868 0.2756 -0.0390 128DOPE H12R16445 2.741 3.128 4.019 -0.1121 0.0180 -0.0231 128DOPE H12S16446 2.623 3.093 3.898 -0.4473 0.4688 -1.6279 128DOPE C21316447 2.788 3.235 3.847 -0.4650 0.1628 -0.1598 128DOPE H13R16448 2.899 3.241 3.854 -0.1649 -1.3033 -2.5611 128DOPE H13S16449 2.749 3.324 3.901 -0.0820 -0.9686 2.1355 128DOPE C21416450 2.748 3.236 3.699 -0.7653 0.1881 -0.0785 128DOPE H14R16451 2.638 3.226 3.692 -1.2049 0.6867 3.6120 128DOPE H14S16452 2.782 3.135 3.667 0.7612 1.0541 -1.3449 128DOPE C21516453 2.817 3.339 3.610 -0.5652 -0.3029 -0.4980 128DOPE H15R16454 2.923 3.343 3.642 -0.9168 0.2518 0.6656 128DOPE H15S16455 2.769 3.436 3.634 0.9858 0.4497 -0.3034 128DOPE C21616456 2.798 3.303 3.463 -0.0006 0.4329 -0.7577 128DOPE H16R16457 2.863 3.215 3.442 2.2505 1.6569 0.7057 128DOPE H16S16458 2.834 3.390 3.404 -1.7799 1.0138 -1.0157 128DOPE C21716459 2.659 3.280 3.404 -0.2037 -0.4899 0.0530 128DOPE H17R16460 2.610 3.198 3.461 -0.0265 0.1950 1.2340 128DOPE H17S16461 2.595 3.369 3.425 1.5377 1.0021 -0.6647 128DOPE C21816462 2.650 3.243 3.257 -0.3735 0.1364 -0.0987 128DOPE H18R16463 2.739 3.284 3.204 -0.7519 0.4391 -0.5164 128DOPE H18S16464 2.563 3.299 3.217 -0.5642 0.8314 1.2589 128DOPE H18T16465 2.645 3.134 3.237 0.3768 -0.2712 1.7751 128DOPE C3316466 3.245 2.543 3.245 0.1018 0.9257 -0.3892 128DOPE H3X16467 3.333 2.546 3.178 -0.6133 -0.4333 -1.4399 128DOPE H3Y16468 3.217 2.439 3.271 1.3021 0.4097 -1.0940 128DOPE C3416469 3.271 2.620 3.375 0.3528 0.1399 0.0338 128DOPE H4X16470 3.185 2.616 3.444 1.5613 0.1242 1.5930 128DOPE H4Y16471 3.286 2.728 3.351 0.2327 0.3065 0.6972 128DOPE C3516472 3.400 2.570 3.441 0.1299 -0.2895 0.1476 128DOPE H5X16473 3.489 2.596 3.381 -0.7688 2.1855 -0.2693 128DOPE H5Y16474 3.398 2.459 3.447 -1.4287 -0.4868 -2.5270 128DOPE C3616475 3.420 2.618 3.585 -0.1921 0.9458 -0.1983 128DOPE H6X16476 3.328 2.616 3.647 0.3967 2.8977 0.8072 128DOPE H6Y16477 3.497 2.553 3.632 1.6556 1.3205 -2.5184 128DOPE C3716478 3.478 2.758 3.601 0.0029 0.8160 0.2622 128DOPE H7X16479 3.566 2.769 3.534 1.4219 0.8877 2.0729 128DOPE H7Y16480 3.394 2.822 3.567 -0.1562 -0.0613 -1.0834 128DOPE C3816481 3.513 2.794 3.745 -0.7288 0.2734 0.5818 128DOPE H8X16482 3.417 2.808 3.800 -1.4369 1.4145 -0.8877 128DOPE H8Y16483 3.573 2.709 3.785 -0.5098 -0.0687 -0.4394 128DOPE C3916484 3.597 2.918 3.733 -0.4051 0.0788 0.8189 128DOPE H9X16485 3.558 3.001 3.672 0.8035 0.2560 0.2661 128DOPE C31016486 3.712 2.936 3.799 0.4452 -0.4824 -0.4743 128DOPE H10X16487 3.771 3.029 3.792 0.2989 -0.1082 2.0838 128DOPE C31116488 3.772 2.836 3.893 0.2651 -0.0306 0.1284 128DOPE H11X16489 3.845 2.785 3.826 1.3573 -1.2800 2.1343 128DOPE H11Y16490 3.699 2.762 3.932 -2.7598 2.3299 -0.6790 128DOPE C31216491 3.848 2.909 4.004 -0.1356 0.2857 0.1946 128DOPE H12X16492 3.787 2.985 4.058 -0.3039 0.0625 0.3149 128DOPE H12Y16493 3.935 2.954 3.951 -0.2731 -0.3753 -0.6241 128DOPE C31316494 3.911 2.812 4.103 0.0727 -0.0065 -0.2203 128DOPE H13X16495 3.821 2.767 4.150 -1.1058 1.8858 -0.5684 128DOPE H13Y16496 3.956 2.732 4.041 0.2229 0.8734 -1.2814 128DOPE C31416497 4.009 2.860 4.211 0.1233 -0.2080 -0.1773 128DOPE H14X16498 3.973 2.951 4.263 -1.3543 -0.5964 -0.4571 128DOPE H14Y16499 4.099 2.890 4.154 0.1179 -2.0476 -1.2532 128DOPE C31516500 4.036 2.745 4.308 0.6475 -0.1674 -0.2692 128DOPE H15X16501 3.940 2.726 4.362 -0.7957 1.3607 -2.1654 128DOPE H15Y16502 4.059 2.653 4.250 2.0503 -1.1559 1.7398 128DOPE C31616503 4.151 2.778 4.403 0.0677 0.1549 0.3355 128DOPE H16X16504 4.125 2.862 4.470 2.0944 0.8900 0.2825 128DOPE H16Y16505 4.237 2.808 4.339 0.1464 0.9678 0.8155 128DOPE C31716506 4.183 2.654 4.488 0.2502 -0.0561 -0.0371 128DOPE H17X16507 4.093 2.640 4.551 0.5843 -1.0750 0.2204 128DOPE H17Y16508 4.204 2.570 4.419 0.5818 0.3576 -0.4504 128DOPE C31816509 4.305 2.697 4.570 -0.2037 0.4150 0.3997 128DOPE H18X16510 4.323 2.639 4.663 1.9898 -2.0999 -1.4176 128DOPE H18Y16511 4.408 2.698 4.527 0.3088 -1.5956 1.4615 128DOPE H18Z16512 4.287 2.804 4.595 -0.8208 0.6107 -0.7782 129SOL OH216513 5.173 5.319 7.866 0.6240 0.2285 -0.0227 129SOL H116514 5.148 5.374 7.941 0.7146 -0.3595 0.4498 129SOL H216515 5.154 5.230 7.895 -0.9040 0.0831 -1.3066 130SOL OH216516 3.035 0.621 7.094 -0.1933 0.7710 -0.3924 130SOL H116517 3.006 0.695 7.039 -1.2863 -0.1325 -1.0730 130SOL H216518 3.033 0.546 7.035 1.6905 0.3123 0.0881 131SOL OH216519 1.953 1.650 1.748 -0.2416 -0.0267 0.5998 131SOL H116520 1.992 1.704 1.680 0.8130 -0.0865 1.1366 131SOL H216521 1.864 1.684 1.758 0.3381 1.4982 0.7979 132SOL OH216522 3.393 2.259 8.313 -0.5655 0.1718 0.1031 132SOL H116523 3.347 2.193 8.261 -0.2824 -0.0129 0.0820 132SOL H216524 3.377 2.234 8.404 0.2731 -0.4475 0.0920 133SOL OH216525 3.086 1.289 2.200 -0.0068 -0.1527 0.1308 133SOL H116526 3.021 1.221 2.216 0.2215 -0.4196 -0.0680 133SOL H216527 3.147 1.283 2.274 -0.1831 0.0672 0.2935 134SOL OH216528 5.760 3.122 0.231 -0.4843 -0.2524 0.2581 134SOL H116529 5.805 3.107 0.147 -0.6046 -0.7852 0.2845 134SOL H216530 5.729 3.035 0.257 -1.5323 0.0979 0.2410 135SOL OH216531 0.100 4.620 0.031 0.4673 0.5092 0.2411 135SOL H116532 0.146 4.655 -0.046 0.3021 -0.5175 -0.3484 135SOL H216533 0.170 4.605 0.095 0.4926 2.2283 0.6488 136SOL OH216534 5.241 5.544 1.684 0.0500 0.4579 -0.1674 136SOL H116535 5.206 5.511 1.767 -0.3318 1.2513 -0.0042 136SOL H216536 5.271 5.633 1.704 -0.1570 0.6997 -0.9080 137SOL OH216537 4.230 5.076 7.908 0.4861 0.3852 -0.3217 137SOL H116538 4.243 5.171 7.914 -0.8507 0.7873 -2.5284 137SOL H216539 4.208 5.061 7.816 -0.0457 -1.9974 0.1257 138SOL OH216540 1.828 1.339 1.314 0.4471 0.1907 -0.2059 138SOL H116541 1.895 1.270 1.314 1.5172 1.1857 0.4717 138SOL H216542 1.776 1.321 1.393 0.4930 -0.0667 -0.2341 139SOL OH216543 5.609 1.699 1.566 0.0665 -0.7869 -0.7156 139SOL H116544 5.693 1.743 1.550 0.0982 0.1130 1.5428 139SOL H216545 5.562 1.707 1.483 1.8254 -0.4969 -1.7586 140SOL OH216546 5.443 0.487 2.143 0.0446 -0.1001 -0.5360 140SOL H116547 5.348 0.477 2.138 0.0102 -0.0103 -0.1050 140SOL H216548 5.459 0.512 2.234 0.4765 -0.0656 -0.6225 141SOL OH216549 2.360 5.655 1.390 -0.2445 0.2327 -0.1440 141SOL H116550 2.362 5.698 1.305 0.2949 -1.0777 -0.8138 141SOL H216551 2.451 5.655 1.420 -0.1538 -0.8367 -0.3766 142SOL OH216552 5.018 3.348 1.056 -0.3086 -0.0208 -0.1949 142SOL H116553 4.954 3.411 1.090 -1.6556 -1.2618 -0.3397 142SOL H216554 4.981 3.262 1.077 -0.3120 -0.8324 -3.1501 143SOL OH216555 4.637 4.089 7.138 0.1887 1.0202 -0.3436 143SOL H116556 4.555 4.060 7.098 0.3991 0.9115 -0.7089 143SOL H216557 4.620 4.089 7.232 -0.3888 1.4860 -0.4416 144SOL OH216558 3.910 0.677 7.775 0.3192 -0.1450 0.0058 144SOL H116559 3.965 0.725 7.837 -1.0779 -0.0118 1.2053 144SOL H216560 3.930 0.585 7.791 2.8460 -0.0883 -2.1493 145SOL OH216561 4.296 0.242 0.962 0.0576 -0.0424 -0.0051 145SOL H116562 4.276 0.228 1.055 0.3045 -2.9056 -0.3010 145SOL H216563 4.392 0.242 0.958 0.0609 1.2389 -0.1333 146SOL OH216564 4.470 1.413 7.912 -0.2869 0.1267 -0.0908 146SOL H116565 4.479 1.420 8.008 0.6793 -1.8664 0.0192 146SOL H216566 4.376 1.410 7.897 -0.5037 1.8178 0.6355 147SOL OH216567 0.580 1.175 0.802 0.5708 0.4474 -0.6551 147SOL H116568 0.580 1.084 0.774 -1.2573 0.4143 -0.6706 147SOL H216569 0.653 1.215 0.754 0.9914 -0.8535 -1.1372 148SOL OH216570 2.920 5.736 7.410 -0.2471 0.2574 -0.0240 148SOL H116571 2.908 5.679 7.334 -1.5495 1.6879 -0.9461 148SOL H216572 2.962 5.680 7.475 0.6589 -1.0881 -1.6807 149SOL OH216573 2.094 2.967 8.033 -0.3038 -0.5633 0.3628 149SOL H116574 2.156 3.033 8.001 -0.8210 -0.9133 -1.4982 149SOL H216575 2.082 2.908 7.958 -1.1892 -1.7685 1.4209 150SOL OH216576 2.692 1.314 0.225 -0.4946 -0.4966 0.3586 150SOL H116577 2.782 1.303 0.255 -0.1733 0.2506 -0.2956 150SOL H216578 2.678 1.243 0.163 0.1758 0.2807 -0.7094 151SOL OH216579 5.799 5.938 6.884 -0.5596 0.1919 -0.2306 151SOL H116580 5.815 5.882 6.809 -0.0061 -2.1274 1.4880 151SOL H216581 5.716 5.906 6.921 -0.2291 0.4945 0.8060 152SOL OH216582 3.894 2.442 7.869 0.7974 -0.1519 -0.0984 152SOL H116583 3.942 2.501 7.812 1.4741 -0.0089 0.6035 152SOL H216584 3.853 2.499 7.934 1.2372 -0.4310 0.4248 153SOL OH216585 5.602 0.062 7.906 -0.4833 -0.3082 0.3251 153SOL H116586 5.674 0.025 7.956 -0.2240 -0.4418 -0.1362 153SOL H216587 5.644 0.108 7.834 -0.8331 0.3449 0.5356 154SOL OH216588 0.102 1.277 0.089 0.0976 -0.2201 -0.7533 154SOL H116589 0.012 1.276 0.119 0.1761 -1.4346 -0.4980 154SOL H216590 0.149 1.329 0.154 -0.5540 1.1402 -1.3492 155SOL OH216591 0.739 4.131 7.728 -0.2750 -0.0145 -0.1894 155SOL H116592 0.733 4.085 7.645 -1.3718 -0.7497 0.2692 155SOL H216593 0.719 4.222 7.707 -2.1064 -0.4659 -0.5149 156SOL OH216594 2.471 4.252 0.330 -0.2805 0.0694 0.7193 156SOL H116595 2.391 4.294 0.299 -1.1452 -1.1522 1.2442 156SOL H216596 2.453 4.158 0.326 1.1263 -0.2336 0.8535 157SOL OH216597 5.511 3.520 1.874 -0.2451 0.2391 -0.6547 157SOL H116598 5.507 3.540 1.780 0.5750 0.5754 -0.6226 157SOL H216599 5.576 3.449 1.880 2.2895 2.4533 -0.0186 158SOL OH216600 1.493 0.304 1.866 0.4235 0.4723 -0.1041 158SOL H116601 1.409 0.263 1.849 0.7505 1.0093 -3.7901 158SOL H216602 1.546 0.235 1.906 -1.4069 -0.1580 1.3279 159SOL OH216603 5.628 1.254 1.180 0.0866 0.5231 -0.5281 159SOL H116604 5.659 1.334 1.222 1.6322 0.2623 -1.0970 159SOL H216605 5.688 1.186 1.212 -1.5492 -0.5476 0.4045 160SOL OH216606 1.156 4.294 8.014 0.0995 0.0011 -0.2524 160SOL H116607 1.157 4.220 7.953 1.6161 -0.3795 0.1858 160SOL H216608 1.184 4.256 8.097 0.7998 1.0441 0.0004 161SOL OH216609 1.373 0.135 7.298 -0.2646 0.8076 0.4690 161SOL H116610 1.465 0.109 7.295 -0.2469 0.8345 0.7753 161SOL H216611 1.374 0.223 7.336 -0.2954 1.4041 -0.8549 162SOL OH216612 2.958 2.175 7.393 -0.3464 0.3132 0.4601 162SOL H116613 2.999 2.248 7.347 -0.7160 0.3357 0.1555 162SOL H216614 3.019 2.102 7.384 -0.4994 0.2673 -0.2336 163SOL OH216615 1.123 3.726 7.494 0.2665 0.1892 0.3409 163SOL H116616 1.147 3.635 7.477 -0.4789 -0.1695 1.1142 163SOL H216617 1.028 3.729 7.477 0.6820 1.4645 -2.2896 164SOL OH216618 2.818 4.223 7.500 -0.5216 0.1725 -0.3175 164SOL H116619 2.798 4.131 7.486 -0.1687 0.1104 -0.4265 164SOL H216620 2.861 4.225 7.586 -1.2207 0.3393 0.0375 165SOL OH216621 1.620 3.158 8.081 -0.0592 -0.3879 -0.2614 165SOL H116622 1.558 3.216 8.038 0.0473 -0.1707 -0.1279 165SOL H216623 1.619 3.078 8.029 -1.3064 -0.8284 0.3862 166SOL OH216624 4.631 5.136 8.262 -0.0798 0.0906 -0.6217 166SOL H116625 4.577 5.178 8.329 1.0481 0.4840 0.0625 166SOL H216626 4.606 5.179 8.180 1.8358 2.9989 0.1889 167SOL OH216627 4.980 0.265 1.170 -0.1605 -0.2337 0.0748 167SOL H116628 5.067 0.226 1.165 -0.1657 -0.3086 0.4935 167SOL H216629 4.958 0.260 1.263 -0.6456 -0.2936 -0.0415 168SOL OH216630 5.657 0.415 6.936 0.7759 0.3487 0.4708 168SOL H116631 5.700 0.333 6.960 0.6131 0.9636 3.2157 168SOL H216632 5.727 0.480 6.940 0.4627 0.6794 0.6821 169SOL OH216633 0.682 2.491 7.114 -0.2208 0.4869 0.3071 169SOL H116634 0.697 2.399 7.136 -1.2132 -0.2359 -1.7834 169SOL H216635 0.747 2.512 7.048 -1.2408 0.6807 -0.6623 170SOL OH216636 5.345 5.354 0.979 0.8903 0.8049 -0.1406 170SOL H116637 5.439 5.334 0.981 0.8750 0.7388 0.9425 170SOL H216638 5.313 5.314 0.899 1.4670 -0.6870 0.3376 171SOL OH216639 1.870 0.664 8.220 0.1258 0.3721 0.3602 171SOL H116640 1.921 0.598 8.268 0.7350 0.1543 -0.5552 171SOL H216641 1.781 0.630 8.218 -0.0388 0.6720 1.8392 172SOL OH216642 3.603 2.007 1.564 0.1267 0.0670 -0.2420 172SOL H116643 3.578 1.949 1.636 -0.4985 -0.7024 -1.0708 172SOL H216644 3.521 2.047 1.536 0.3567 0.2964 -0.5904 173SOL OH216645 1.156 4.558 6.653 -0.4463 -0.1464 -0.3090 173SOL H116646 1.103 4.597 6.584 0.9080 -1.2716 -2.0425 173SOL H216647 1.242 4.597 6.642 0.0832 -1.1991 0.0031 174SOL OH216648 4.589 1.920 1.042 0.2126 0.2006 0.3407 174SOL H116649 4.608 1.863 0.967 -1.6147 -0.6164 0.4355 174SOL H216650 4.510 1.967 1.016 0.6107 1.2835 1.0454 175SOL OH216651 0.804 0.167 7.485 -0.4109 0.1410 -0.7268 175SOL H116652 0.817 0.100 7.418 0.1956 -0.7229 0.2352 175SOL H216653 0.781 0.246 7.436 2.3660 0.1683 -2.1309 176SOL OH216654 1.237 0.359 0.505 -0.0084 0.0511 0.1751 176SOL H116655 1.174 0.324 0.442 0.7472 -0.8787 -0.0940 176SOL H216656 1.184 0.391 0.577 -0.7941 -0.7750 -0.0192 177SOL OH216657 2.792 5.390 7.446 -0.0827 -0.2515 0.0817 177SOL H116658 2.867 5.413 7.390 0.6081 1.2002 1.5309 177SOL H216659 2.722 5.448 7.417 -0.7733 -1.7747 -1.4362 178SOL OH216660 2.968 3.984 2.007 0.1477 -0.0678 0.0632 178SOL H116661 3.041 3.980 2.069 1.4430 -0.9613 -1.4405 178SOL H216662 2.934 3.895 2.004 -0.4987 0.1721 0.1512 179SOL OH216663 5.489 2.660 8.025 -0.1742 -0.2345 0.1588 179SOL H116664 5.493 2.735 7.965 2.9237 0.7013 1.3543 179SOL H216665 5.497 2.583 7.969 0.7585 0.5352 -0.7967 180SOL OH216666 4.826 1.951 0.753 -0.0866 -0.5037 -0.0790 180SOL H116667 4.753 2.008 0.725 1.0090 0.3889 -1.2645 180SOL H216668 4.884 1.949 0.677 1.5155 -0.5700 1.1124 181SOL OH216669 2.618 0.844 0.838 -0.3137 -0.0103 0.0057 181SOL H116670 2.573 0.792 0.772 -0.2273 0.6465 -0.5851 181SOL H216671 2.686 0.891 0.790 0.7012 -0.6008 0.8023 182SOL OH216672 5.717 1.236 0.485 -0.1466 0.2435 0.1135 182SOL H116673 5.731 1.183 0.563 0.1490 0.3984 0.1650 182SOL H216674 5.804 1.266 0.459 -0.3902 1.3915 0.5666 183SOL OH216675 0.058 4.106 6.440 0.1234 -0.0029 0.2330 183SOL H116676 0.117 4.095 6.365 -1.0451 -1.6734 -0.4953 183SOL H216677 0.050 4.201 6.450 -0.4246 0.3191 -2.3830 184SOL OH216678 4.964 2.621 1.911 0.5819 -0.6149 -0.4649 184SOL H116679 5.034 2.605 1.848 0.4733 -2.1220 -0.2339 184SOL H216680 4.906 2.682 1.867 2.5293 1.5047 -0.2678 185SOL OH216681 2.680 5.893 1.442 0.1621 -0.5796 0.0307 185SOL H116682 2.665 5.801 1.462 -0.4079 -0.0802 2.1789 185SOL H216683 2.638 5.940 1.513 0.1731 1.3764 -1.1709 186SOL OH216684 0.509 0.747 7.062 -0.4591 -0.7831 -0.0154 186SOL H116685 0.520 0.790 7.147 -0.1891 -0.3813 -0.2496 186SOL H216686 0.451 0.805 7.013 -1.9409 -1.8202 0.4482 187SOL OH216687 0.540 3.155 8.339 -0.1411 0.0300 0.5949 187SOL H116688 0.531 3.079 8.282 2.2888 -0.9735 1.4295 187SOL H216689 0.566 3.226 8.281 2.1983 -0.9525 0.3195 188SOL OH216690 2.628 4.830 2.788 -0.3043 0.3175 0.5415 188SOL H116691 2.642 4.919 2.755 0.2306 0.5968 1.4806 188SOL H216692 2.716 4.792 2.792 -0.6290 -0.6418 -0.8648 189SOL OH216693 4.939 4.251 1.785 -0.3692 0.2375 -0.4344 189SOL H116694 4.869 4.194 1.752 -0.2967 -0.0959 -0.0309 189SOL H216695 5.019 4.201 1.771 -0.3845 -0.1314 0.6909 190SOL OH216696 3.125 0.073 1.834 -0.4769 -0.2622 -0.1735 190SOL H116697 3.032 0.078 1.856 -0.1532 0.9204 1.0480 190SOL H216698 3.131 0.116 1.748 -1.1782 -1.2910 -0.7683 191SOL OH216699 3.842 1.242 7.770 0.6591 0.1269 -0.7076 191SOL H116700 3.929 1.275 7.790 0.1121 0.8745 0.5372 191SOL H216701 3.799 1.313 7.723 0.0939 0.5111 0.3611 192SOL OH216702 4.057 3.716 2.584 -0.2095 -0.1713 0.2217 192SOL H116703 4.011 3.683 2.507 -2.3958 0.2411 1.2768 192SOL H216704 4.015 3.671 2.658 0.7001 0.6720 1.2893 193SOL OH216705 3.236 0.499 7.544 0.7060 0.2381 0.0853 193SOL H116706 3.187 0.566 7.496 -0.7850 -1.1253 -0.3908 193SOL H216707 3.317 0.488 7.494 0.4043 0.7970 -0.5419 194SOL OH216708 4.461 3.725 7.122 0.3022 0.0887 0.1862 194SOL H116709 4.429 3.724 7.212 -0.8974 0.5455 -0.2236 194SOL H216710 4.519 3.649 7.116 1.3928 0.7589 1.6834 195SOL OH216711 1.393 2.730 7.949 -0.4119 0.5558 -0.5764 195SOL H116712 1.369 2.643 7.919 -1.7576 0.2255 1.3028 195SOL H216713 1.342 2.789 7.893 -0.7656 0.0776 -0.7645 196SOL OH216714 5.139 0.562 1.950 -0.4149 -0.0576 -0.2329 196SOL H116715 5.124 0.623 2.022 2.0418 -0.6875 0.9100 196SOL H216716 5.158 0.618 1.875 -1.2514 0.6008 0.0382 197SOL OH216717 4.819 5.276 0.395 -0.4575 0.1567 -0.2997 197SOL H116718 4.869 5.335 0.340 -1.1935 0.5960 -0.5154 197SOL H216719 4.872 5.196 0.399 -0.4279 0.0730 -1.7220 198SOL OH216720 1.011 0.325 1.538 -0.1330 -0.2131 -0.1996 198SOL H116721 1.082 0.261 1.539 -0.5492 -0.7083 -0.9598 198SOL H216722 1.042 0.396 1.594 0.7094 -0.6849 -0.0437 199SOL OH216723 3.629 5.306 2.158 -0.2252 -0.5816 0.1485 199SOL H116724 3.615 5.329 2.250 1.5195 0.9428 0.0971 199SOL H216725 3.558 5.349 2.111 0.3769 0.9153 0.5527 200SOL OH216726 2.779 5.300 0.648 -0.1194 0.4166 0.3778 200SOL H116727 2.782 5.391 0.617 0.3241 0.3913 0.3410 200SOL H216728 2.813 5.304 0.738 -0.8541 0.4033 0.6606 201SOL OH216729 2.950 2.724 7.707 0.2945 0.0427 0.0154 201SOL H116730 3.038 2.704 7.675 -0.5145 -1.9053 -1.2561 201SOL H216731 2.947 2.687 7.795 0.6455 -0.1835 -0.0658 202SOL OH216732 3.076 1.195 0.549 0.5325 0.4603 0.1955 202SOL H116733 3.137 1.151 0.490 1.0218 -0.4496 1.3271 202SOL H216734 3.032 1.261 0.495 0.9549 -0.3423 -1.1537 203SOL OH216735 1.322 1.686 6.748 -0.5394 0.3212 -0.1456 203SOL H116736 1.343 1.731 6.830 2.0669 1.3576 -1.2532 203SOL H216737 1.345 1.595 6.764 -2.0511 0.1015 0.8904 204SOL OH216738 3.637 2.493 1.492 -0.0067 -0.4660 0.4910 204SOL H116739 3.560 2.533 1.452 0.9155 0.5122 -0.3802 204SOL H216740 3.651 2.544 1.572 1.1303 0.9998 -0.5866 205SOL OH216741 1.489 5.658 7.487 -0.0436 -0.1553 0.6389 205SOL H116742 1.453 5.612 7.563 -1.0530 -0.4143 0.0265 205SOL H216743 1.444 5.743 7.488 -0.2109 -0.2336 0.2340 206SOL OH216744 4.235 2.208 2.419 0.2711 -0.1569 0.1228 206SOL H116745 4.190 2.143 2.364 0.5706 0.1806 -0.5397 206SOL H216746 4.275 2.268 2.356 0.1083 0.5967 0.7243 207SOL OH216747 5.080 2.708 0.459 -0.0339 0.4106 0.4926 207SOL H116748 5.034 2.653 0.523 -0.6504 -0.0964 -0.3551 207SOL H216749 5.031 2.790 0.459 -1.2064 -0.2584 -0.6733 208SOL OH216750 5.410 1.341 1.771 -0.2747 -0.0548 0.3478 208SOL H116751 5.441 1.427 1.799 -0.5231 0.1344 0.0560 208SOL H216752 5.336 1.322 1.829 -0.2567 -0.0422 0.3747 209SOL OH216753 0.796 1.319 0.720 0.7387 -0.4183 -0.3201 209SOL H116754 0.851 1.382 0.766 0.7142 -0.0790 -0.7500 209SOL H216755 0.857 1.251 0.691 0.7103 -0.7778 0.4537 210SOL OH216756 2.517 5.872 6.747 0.0989 0.2531 0.0040 210SOL H116757 2.596 5.821 6.732 -0.8129 -0.7498 -1.7264 210SOL H216758 2.517 5.939 6.678 -0.4378 0.3756 0.1120 211SOL OH216759 1.032 2.286 0.216 0.1478 0.0187 0.0816 211SOL H116760 0.964 2.343 0.179 -0.0583 0.5168 1.1726 211SOL H216761 1.112 2.338 0.209 0.7147 -1.0472 -2.3480 212SOL OH216762 4.739 3.208 7.054 0.0289 -0.1765 -0.2374 212SOL H116763 4.652 3.219 7.093 0.7310 2.4538 0.8115 212SOL H216764 4.767 3.121 7.081 -1.4424 -0.2740 1.1353 213SOL OH216765 3.496 1.121 1.520 0.7976 0.4448 -0.1536 213SOL H116766 3.583 1.160 1.507 0.3558 1.3261 -0.6041 213SOL H216767 3.480 1.130 1.614 0.1761 2.6341 -0.3942 214SOL OH216768 1.945 3.764 0.906 0.2971 -0.3663 0.1945 214SOL H116769 1.970 3.791 0.994 -1.8838 -0.7937 1.0040 214SOL H216770 1.938 3.846 0.857 1.4436 -0.1207 0.4093 215SOL OH216771 4.205 4.751 7.102 0.0610 -0.4044 -0.4002 215SOL H116772 4.264 4.818 7.136 -0.3623 -0.5893 0.7518 215SOL H216773 4.220 4.751 7.007 -0.9693 2.3437 -0.6571 216SOL OH216774 2.608 4.833 7.683 -0.1107 -0.2830 0.2618 216SOL H116775 2.631 4.793 7.767 2.4034 -1.1557 -0.7495 216SOL H216776 2.645 4.775 7.617 -0.1181 1.4898 -1.4089 217SOL OH216777 0.159 4.406 1.552 -0.3099 -0.1568 -0.6825 217SOL H116778 0.130 4.494 1.528 -2.6654 -1.1803 -1.9109 217SOL H216779 0.254 4.413 1.558 -0.3927 2.3456 -1.1930 218SOL OH216780 3.370 2.116 1.488 -0.3850 -0.5204 -0.1363 218SOL H116781 3.343 2.138 1.399 0.1107 -0.5372 -0.2973 218SOL H216782 3.308 2.161 1.544 -0.1580 0.2418 -0.4832 219SOL OH216783 1.701 4.055 8.247 -0.0593 -0.2908 0.2301 219SOL H116784 1.669 4.100 8.168 2.1942 1.1866 0.0588 219SOL H216785 1.684 4.118 8.318 -0.3087 -0.7986 0.6260 220SOL OH216786 3.024 4.726 0.341 0.4638 0.1085 -0.2491 220SOL H116787 3.058 4.672 0.412 0.1477 0.1757 -0.0467 220SOL H216788 3.100 4.743 0.286 0.8823 0.7011 0.4869 221SOL OH216789 4.989 4.412 1.199 0.0859 -0.2744 0.0731 221SOL H116790 4.907 4.363 1.200 -0.3031 0.3134 -0.9127 221SOL H216791 5.055 4.349 1.228 -0.4183 -1.3521 -0.9980 222SOL OH216792 5.351 5.641 1.041 0.0564 0.2618 0.0535 222SOL H116793 5.280 5.634 1.104 -0.2878 -0.6629 -0.4170 222SOL H216794 5.362 5.552 1.006 0.8378 0.5690 -0.5353 223SOL OH216795 5.405 0.818 7.881 -0.7037 0.3332 0.5412 223SOL H116796 5.320 0.779 7.861 0.0740 -0.0199 -2.6164 223SOL H216797 5.434 0.856 7.799 0.0159 5.0819 2.6550 224SOL OH216798 0.608 0.434 7.425 0.2039 -0.1186 0.0064 224SOL H116799 0.626 0.441 7.332 0.9598 -1.0407 0.0689 224SOL H216800 0.564 0.350 7.435 -2.4223 1.1565 0.1403 225SOL OH216801 0.278 3.314 8.082 -0.0804 -0.8105 -0.7026 225SOL H116802 0.313 3.337 8.168 0.6972 -1.4621 -0.8326 225SOL H216803 0.243 3.396 8.048 -0.9962 -0.6754 0.4978 226SOL OH216804 0.882 4.671 1.133 -0.0914 0.2114 0.0175 226SOL H116805 0.829 4.728 1.188 0.3677 0.8463 -0.1819 226SOL H216806 0.938 4.623 1.194 -0.6950 -0.2669 0.2082 227SOL OH216807 0.938 4.881 1.810 -0.0067 0.7071 -0.1639 227SOL H116808 0.997 4.907 1.880 2.8238 -0.6587 -1.8478 227SOL H216809 0.958 4.788 1.796 -0.3713 0.9494 -2.7932 228SOL OH216810 4.395 5.942 7.098 0.0664 -0.4938 -0.3175 228SOL H116811 4.427 5.896 7.020 1.6663 -0.8271 0.4789 228SOL H216812 4.474 5.981 7.136 -0.0800 -2.8477 2.7654 229SOL OH216813 1.776 4.405 8.018 -0.1809 0.5424 -0.1638 229SOL H116814 1.702 4.412 7.958 -0.6034 -0.0099 0.2833 229SOL H216815 1.773 4.486 8.070 -0.4682 0.5277 -0.1534 230SOL OH216816 3.105 1.923 8.114 0.4482 0.1769 -0.3455 230SOL H116817 3.012 1.904 8.096 0.1442 0.7651 0.5387 230SOL H216818 3.117 1.897 8.205 1.4512 -0.9121 -0.7619 231SOL OH216819 3.504 1.154 1.779 -1.0190 -0.1368 -0.3991 231SOL H116820 3.436 1.146 1.845 -1.4148 -0.2588 -0.8172 231SOL H216821 3.523 1.247 1.774 0.6782 -0.3098 1.5513 232SOL OH216822 5.618 4.446 0.307 0.8325 -0.2151 -0.3310 232SOL H116823 5.548 4.440 0.242 0.2456 -0.8471 0.3432 232SOL H216824 5.613 4.536 0.340 0.2043 -0.3138 -0.1441 233SOL OH216825 1.872 0.858 2.221 0.4810 -0.2256 0.2983 233SOL H116826 1.845 0.843 2.312 0.0368 -0.6905 0.0994 233SOL H216827 1.849 0.776 2.176 1.1880 -0.2002 -0.1214 234SOL OH216828 1.749 3.090 2.295 -0.3440 1.0062 -0.0947 234SOL H116829 1.759 3.015 2.236 0.6997 -0.3344 1.6841 234SOL H216830 1.678 3.141 2.257 -0.1200 -0.1175 -2.1520 235SOL OH216831 4.624 1.358 0.870 -0.2058 0.3992 -0.1257 235SOL H116832 4.594 1.267 0.879 0.2428 0.1935 -0.6784 235SOL H216833 4.612 1.395 0.958 -1.3014 0.0956 -0.1276 236SOL OH216834 0.515 3.971 1.722 0.2561 -0.2955 -0.2699 236SOL H116835 0.532 4.006 1.635 0.3651 -1.1126 -0.5823 236SOL H216836 0.443 4.024 1.755 0.3297 0.1347 -0.7869 237SOL OH216837 0.788 0.188 2.101 0.1764 0.6430 -0.3014 237SOL H116838 0.795 0.269 2.153 -0.4843 1.4206 -1.3938 237SOL H216839 0.694 0.174 2.091 0.2879 -0.2788 -0.1198 238SOL OH216840 5.533 1.069 7.156 0.1726 -0.3033 0.4064 238SOL H116841 5.460 1.106 7.204 -0.4726 -1.0402 0.0144 238SOL H216842 5.493 1.008 7.094 1.1682 -1.2982 0.7113 239SOL OH216843 3.922 1.410 7.547 0.4277 0.3500 0.3461 239SOL H116844 3.961 1.491 7.581 -0.1121 0.6382 0.2928 239SOL H216845 3.828 1.429 7.541 0.4105 0.0504 -0.5655 240SOL OH216846 5.216 3.283 7.595 -0.2822 -0.1291 -0.1607 240SOL H116847 5.138 3.332 7.568 0.1652 1.5160 1.2999 240SOL H216848 5.232 3.312 7.685 2.7563 0.5832 -0.8294 241SOL OH216849 2.048 3.491 8.276 0.4207 0.3141 0.4596 241SOL H116850 1.977 3.426 8.275 1.6147 -1.0380 -0.1823 241SOL H216851 2.122 3.446 8.234 1.4262 1.9557 0.3940 242SOL OH216852 1.335 4.498 1.319 -0.3839 0.3784 0.4417 242SOL H116853 1.388 4.435 1.270 0.8237 -0.1614 2.3119 242SOL H216854 1.399 4.550 1.368 -1.4853 1.5268 0.7154 243SOL OH216855 4.060 3.905 1.983 -0.1923 0.2709 -0.4031 243SOL H116856 4.152 3.913 2.009 0.0245 0.8703 -1.2945 243SOL H216857 4.018 3.861 2.056 0.5229 1.2581 0.6366 244SOL OH216858 0.493 2.467 7.975 0.3781 -0.4715 -0.2620 244SOL H116859 0.401 2.441 7.985 0.5009 -1.1289 -0.7894 244SOL H216860 0.517 2.437 7.887 1.4296 -1.3283 0.2978 245SOL OH216861 1.116 0.975 7.285 -0.4542 0.3543 -0.2320 245SOL H116862 1.116 1.066 7.314 1.0366 -0.0569 1.2240 245SOL H216863 1.066 0.927 7.351 -1.6708 0.1666 -1.2604 246SOL OH216864 3.808 5.204 7.875 0.2850 0.2556 -0.1505 246SOL H116865 3.829 5.183 7.965 -0.0094 -0.4016 -0.2321 246SOL H216866 3.717 5.177 7.864 0.3519 0.2168 -0.6733 247SOL OH216867 2.856 0.141 1.861 0.1095 -1.2151 -0.1786 247SOL H116868 2.842 0.162 1.769 -0.8914 -1.9104 -0.2052 247SOL H216869 2.789 0.075 1.881 0.0889 -0.8306 1.1322 248SOL OH216870 3.288 5.904 1.018 0.0436 -0.5118 0.2468 248SOL H116871 3.193 5.908 1.029 -0.0930 -2.2822 0.0361 248SOL H216872 3.309 5.811 1.028 1.5942 -0.3333 -0.9945 249SOL OH216873 5.289 4.994 0.240 -0.5765 -0.4534 -0.3129 249SOL H116874 5.272 4.992 0.146 1.7047 1.3200 -0.8552 249SOL H216875 5.305 5.087 0.260 1.6833 -1.0844 1.2535 250SOL OH216876 3.058 5.732 2.842 -0.1934 -0.1459 -0.6916 250SOL H116877 3.139 5.780 2.859 -0.7940 0.3620 0.9448 250SOL H216878 3.082 5.640 2.847 -0.1816 -0.0902 2.9099 251SOL OH216879 2.177 1.672 0.015 -0.4245 0.0042 -0.1888 251SOL H116880 2.205 1.624 0.093 -1.5679 -0.4938 -0.0629 251SOL H216881 2.181 1.764 0.041 -1.6224 -0.1856 0.7690 252SOL OH216882 0.958 5.084 2.009 -0.5097 -0.6293 -0.2692 252SOL H116883 0.873 5.118 1.980 -0.2934 0.2994 0.1409 252SOL H216884 1.022 5.133 1.959 -0.2047 -1.0147 -0.2568 253SOL OH216885 2.328 1.893 2.217 -0.3111 -0.0825 0.3808 253SOL H116886 2.394 1.840 2.171 -1.0661 -1.1796 0.5235 253SOL H216887 2.354 1.983 2.200 -1.2792 -0.3442 -3.3792 254SOL OH216888 1.028 5.148 0.313 0.3010 0.2340 0.0213 254SOL H116889 1.024 5.231 0.266 -0.6523 -0.2367 -0.7655 254SOL H216890 1.108 5.155 0.366 -1.2384 2.7850 2.2466 255SOL OH216891 2.038 2.783 7.821 -0.2972 0.0899 0.0588 255SOL H116892 2.106 2.748 7.765 -1.2887 -2.2910 0.1932 255SOL H216893 1.956 2.747 7.785 -1.1024 -0.2186 2.0483 256SOL OH216894 1.000 3.292 1.141 0.3418 0.4364 0.6301 256SOL H116895 0.935 3.250 1.198 -1.4038 0.1816 -1.4082 256SOL H216896 1.059 3.222 1.115 -0.8173 -0.1967 -0.4208 257SOL OH216897 4.896 0.121 0.233 -0.1125 0.0660 -0.0693 257SOL H116898 4.876 0.035 0.197 -2.1197 0.4963 -0.0921 257SOL H216899 4.924 0.103 0.323 0.9797 -0.7004 -0.5418 258SOL OH216900 6.017 1.965 0.572 0.4239 -0.5132 0.1251 258SOL H116901 5.976 1.938 0.654 0.5587 -0.9283 0.0587 258SOL H216902 6.068 2.042 0.595 2.4828 -2.0616 0.9841 259SOL OH216903 4.892 4.685 0.381 0.0252 -0.3418 0.4219 259SOL H116904 4.861 4.740 0.452 0.1189 -2.0936 1.9073 259SOL H216905 4.815 4.670 0.326 0.1321 1.6762 -0.3557 260SOL OH216906 2.582 3.322 7.039 0.1018 0.0131 -0.3640 260SOL H116907 2.568 3.309 7.133 0.2877 -0.3314 -0.3816 260SOL H216908 2.659 3.268 7.018 -0.8360 -1.1354 -1.0052 261SOL OH216909 4.094 3.494 0.743 -0.1279 -0.3904 0.7616 261SOL H116910 4.093 3.421 0.805 1.6133 -0.2713 0.9850 261SOL H216911 4.115 3.571 0.797 -0.1358 -0.0304 0.2572 262SOL OH216912 0.990 1.049 1.928 -0.0073 0.4157 0.3352 262SOL H116913 0.977 1.085 2.015 1.7800 3.3981 -0.4854 262SOL H216914 1.068 0.994 1.936 -1.1163 -1.1324 1.0024 263SOL OH216915 0.667 3.433 6.778 -0.4281 0.0632 -0.4240 263SOL H116916 0.622 3.500 6.727 -0.2159 -0.2664 -1.0558 263SOL H216917 0.601 3.400 6.839 -0.3003 1.4490 0.5121 264SOL OH216918 4.652 5.363 0.738 0.4421 0.3998 -0.0651 264SOL H116919 4.745 5.381 0.754 0.6320 0.1414 -0.8375 264SOL H216920 4.646 5.353 0.643 0.0707 -2.0100 0.1569 265SOL OH216921 4.143 0.200 7.747 -0.0490 -0.6066 -0.4768 265SOL H116922 4.234 0.195 7.774 -0.1609 -0.2029 -0.0033 265SOL H216923 4.113 0.109 7.744 0.4615 -0.7597 -0.9774 266SOL OH216924 0.490 0.938 1.038 -0.0818 0.3628 0.2291 266SOL H116925 0.446 0.963 0.957 1.9743 0.6371 -0.8751 266SOL H216926 0.422 0.895 1.090 -1.2500 -0.6892 -2.0350 267SOL OH216927 1.949 5.289 0.756 0.3942 0.3712 -0.1705 267SOL H116928 1.885 5.279 0.826 0.3137 -0.0380 -0.2977 267SOL H216929 1.976 5.381 0.760 -0.0224 0.4846 0.0364 268SOL OH216930 1.077 0.557 0.666 0.0991 -0.1847 0.2855 268SOL H116931 1.126 0.639 0.674 2.2420 -1.5000 1.2400 268SOL H216932 1.040 0.561 0.578 1.1159 1.2924 -0.1242 269SOL OH216933 1.913 2.073 1.459 -0.3880 -0.6980 -0.3874 269SOL H116934 1.827 2.042 1.430 -1.0108 1.1296 -0.6303 269SOL H216935 1.894 2.149 1.513 0.9729 -1.8364 1.8540 270SOL OH216936 4.595 0.833 7.788 0.4018 0.4512 -0.7459 270SOL H116937 4.501 0.851 7.789 0.6697 2.0191 -1.2191 270SOL H216938 4.604 0.750 7.836 -1.2894 -0.1905 -1.4599 271SOL OH216939 0.566 0.553 1.079 -0.1570 0.0616 -0.2270 271SOL H116940 0.506 0.584 1.012 -1.2015 2.0632 1.5176 271SOL H216941 0.515 0.490 1.130 -0.2156 0.4649 0.2165 272SOL OH216942 3.428 4.263 6.678 -0.4409 -0.1827 -0.2609 272SOL H116943 3.419 4.224 6.765 -1.6952 -0.6943 -0.6031 272SOL H216944 3.506 4.222 6.641 -0.2666 -0.4342 0.3808 273SOL OH216945 4.324 4.889 7.440 -0.3887 0.2795 -0.3030 273SOL H116946 4.318 4.980 7.471 1.6049 0.5747 -0.6268 273SOL H216947 4.341 4.897 7.346 -0.0076 -0.4169 -0.2997 274SOL OH216948 2.335 5.420 0.629 -0.5272 0.1338 0.4248 274SOL H116949 2.354 5.390 0.540 1.7989 -1.2462 1.2891 274SOL H216950 2.322 5.514 0.621 -0.1660 0.0565 -1.3519 275SOL OH216951 5.541 2.643 8.324 0.4371 -0.3646 0.4907 275SOL H116952 5.490 2.631 8.244 -1.3391 -1.6168 1.7294 275SOL H216953 5.631 2.631 8.297 -0.1522 -1.1965 -1.2563 276SOL OH216954 1.152 4.592 7.132 0.3537 -0.4214 0.2363 276SOL H116955 1.223 4.656 7.133 -0.3887 0.5154 -1.4844 276SOL H216956 1.165 4.542 7.051 -0.6171 -0.5947 0.1739 277SOL OH216957 3.978 4.144 1.595 -0.0359 -0.1923 -0.4441 277SOL H116958 4.013 4.127 1.508 -1.7554 0.2405 -1.2618 277SOL H216959 3.887 4.116 1.590 -0.4803 0.8953 0.8625 278SOL OH216960 4.815 4.577 1.465 0.3046 -0.1721 -0.0164 278SOL H116961 4.788 4.587 1.374 2.2677 -2.1854 -0.9220 278SOL H216962 4.814 4.482 1.480 -1.6997 0.1501 2.6944 279SOL OH216963 2.835 2.800 0.426 0.1033 0.1228 -0.1775 279SOL H116964 2.889 2.808 0.505 1.7143 1.5479 -1.3286 279SOL H216965 2.805 2.889 0.408 -0.3374 -0.1983 -1.0994 280SOL OH216966 0.077 5.951 2.334 0.1574 0.1574 -0.4167 280SOL H116967 0.144 5.887 2.310 -0.4537 -0.4841 -0.4346 280SOL H216968 0.109 5.989 2.416 0.1768 -0.6902 -0.0170 281SOL OH216969 0.307 4.761 2.361 0.1478 -0.2390 -0.0931 281SOL H116970 0.255 4.707 2.421 0.2265 -0.6500 -0.3926 281SOL H216971 0.275 4.850 2.375 0.9713 -0.1512 1.4332 282SOL OH216972 2.827 1.603 2.413 0.7001 -0.6597 -0.3693 282SOL H116973 2.737 1.598 2.443 1.5202 -0.1357 2.4999 282SOL H216974 2.856 1.512 2.407 0.6257 -0.7904 0.9936 283SOL OH216975 5.723 2.672 1.329 0.2630 -0.0627 -0.7484 283SOL H116976 5.699 2.580 1.341 0.1882 0.0686 0.2136 283SOL H216977 5.639 2.718 1.325 0.3011 0.2230 1.1100 284SOL OH216978 1.357 1.556 7.348 0.1322 0.2416 -0.3261 284SOL H116979 1.394 1.643 7.330 0.2591 0.4948 1.0235 284SOL H216980 1.366 1.508 7.266 -0.1961 1.5916 -1.1859 285SOL OH216981 5.689 3.585 1.133 0.3011 -0.2942 -0.2146 285SOL H116982 5.782 3.598 1.149 0.3505 0.1587 -0.8376 285SOL H216983 5.680 3.490 1.119 0.9374 -0.1544 -1.7540 286SOL OH216984 5.462 2.612 2.113 -0.0687 0.7158 -0.7506 286SOL H116985 5.432 2.683 2.169 0.0645 0.8616 -0.8624 286SOL H216986 5.558 2.622 2.111 0.0394 -0.0508 0.0186 287SOL OH216987 4.554 4.669 6.869 -0.2692 0.0678 -0.0470 287SOL H116988 4.613 4.612 6.819 -0.3473 2.2284 -2.8266 287SOL H216989 4.471 4.621 6.871 0.1487 -0.7204 -0.7575 288SOL OH216990 2.687 5.593 0.835 -0.0504 -0.0023 -0.0918 288SOL H116991 2.692 5.683 0.804 1.4816 -0.3822 -1.1059 288SOL H216992 2.597 5.581 0.863 -0.5253 1.5488 -0.8724 289SOL OH216993 0.768 0.249 1.632 -0.3395 0.1829 0.0868 289SOL H116994 0.769 0.164 1.587 -1.2088 0.0310 0.3549 289SOL H216995 0.856 0.284 1.616 -0.5613 0.0671 -1.6203 290SOL OH216996 1.672 1.475 7.618 0.2288 -0.2343 -0.3480 290SOL H116997 1.699 1.445 7.704 1.8140 -0.3448 -0.8598 290SOL H216998 1.673 1.571 7.625 -1.1356 -0.2340 0.1732 291SOL OH216999 0.521 2.783 7.597 0.4748 -0.2426 -0.3875 291SOL H117000 0.435 2.743 7.611 0.2753 -1.3401 -3.8123 291SOL H217001 0.553 2.743 7.516 3.7767 0.9314 0.1911 292SOL OH217002 1.999 2.434 8.262 0.0718 0.1731 0.3406 292SOL H117003 2.014 2.514 8.212 1.0711 -0.1225 0.1390 292SOL H217004 2.086 2.408 8.291 0.1116 -2.0926 -1.5245 293SOL OH217005 4.173 0.684 7.353 0.4254 0.0787 -0.0436 293SOL H117006 4.086 0.717 7.329 0.2377 1.0390 1.7201 293SOL H217007 4.233 0.754 7.326 0.3176 0.6907 1.1966 294SOL OH217008 3.018 3.446 6.995 0.3401 0.5934 0.8364 294SOL H117009 2.994 3.538 6.999 -0.8685 0.4341 -1.3051 294SOL H217010 3.114 3.446 6.998 0.4237 2.0431 -0.5630 295SOL OH217011 4.419 3.654 1.183 0.3835 -0.0351 -0.3451 295SOL H117012 4.333 3.610 1.189 -0.6891 1.8345 -1.2647 295SOL H217013 4.449 3.658 1.273 -0.9328 0.0840 0.1184 296SOL OH217014 3.580 1.265 0.236 -0.2329 -0.1702 -0.0549 296SOL H117015 3.666 1.222 0.234 -0.6722 -1.1091 0.5856 296SOL H217016 3.587 1.327 0.309 -0.5354 -1.2217 0.8879 297SOL OH217017 1.811 3.001 1.277 -0.6613 0.1325 -0.2094 297SOL H117018 1.840 3.091 1.290 -0.9245 0.1459 0.3063 297SOL H217019 1.870 2.949 1.331 -0.3494 -0.0279 -0.7050 298SOL OH217020 3.421 1.432 1.104 0.1255 0.2434 -0.0238 298SOL H117021 3.364 1.417 1.029 0.5436 -0.0054 -0.2962 298SOL H217022 3.498 1.376 1.087 0.3135 0.3487 0.4808 299SOL OH217023 1.656 3.782 1.293 0.6260 -0.3849 -0.1351 299SOL H117024 1.751 3.783 1.284 0.6714 -1.4473 0.0824 299SOL H217025 1.640 3.822 1.379 0.9622 -1.2660 0.3485 300SOL OH217026 1.582 4.847 0.095 -0.3061 -0.0859 0.1735 300SOL H117027 1.586 4.890 0.181 -0.9134 -1.0701 0.7137 300SOL H217028 1.513 4.782 0.104 0.5994 -1.1994 -0.6100 301SOL OH217029 4.762 2.282 6.784 0.0392 0.5329 -0.3203 301SOL H117030 4.840 2.238 6.751 0.4279 1.3703 -0.5405 301SOL H217031 4.721 2.218 6.842 1.4963 0.4738 0.6807 302SOL OH217032 2.592 4.248 0.576 -0.3483 -0.4550 0.0335 302SOL H117033 2.632 4.334 0.594 0.5890 -0.6140 -1.1434 302SOL H217034 2.542 4.261 0.496 -1.1349 -0.7427 0.4685 303SOL OH217035 2.573 0.949 7.222 0.3675 0.0941 -0.1336 303SOL H117036 2.569 0.890 7.146 1.5916 -0.4903 0.2264 303SOL H217037 2.580 0.890 7.297 1.3428 0.6884 0.2617 304SOL OH217038 4.003 5.518 7.553 -0.0083 -0.0347 0.0066 304SOL H117039 4.092 5.485 7.543 -0.1295 -0.5893 0.6408 304SOL H217040 4.006 5.607 7.519 0.3363 -0.6848 -1.7970 305SOL OH217041 3.909 4.460 0.614 0.4368 -0.0471 0.4173 305SOL H117042 3.944 4.537 0.569 -0.9730 -0.3097 -1.2137 305SOL H217043 3.831 4.492 0.660 1.8794 0.2321 2.8787 306SOL OH217044 5.942 3.750 7.113 0.1293 0.0694 0.9462 306SOL H117045 5.906 3.733 7.026 -0.3232 -2.4100 1.5477 306SOL H217046 5.871 3.791 7.161 -0.4973 -0.9262 0.8860 307SOL OH217047 3.011 1.033 1.756 -0.2239 -0.1684 -0.5484 307SOL H117048 3.080 0.983 1.799 -0.9697 -0.5398 0.2482 307SOL H217049 3.042 1.046 1.667 0.7636 -0.5284 -0.2656 308SOL OH217050 2.717 3.675 7.767 0.2574 -0.1077 -0.2632 308SOL H117051 2.711 3.599 7.710 0.9585 0.1086 -0.6446 308SOL H217052 2.796 3.659 7.819 0.0984 0.1005 0.0441 309SOL OH217053 3.290 2.352 6.992 0.7572 -0.4016 0.2119 309SOL H117054 3.334 2.437 6.993 1.1824 -0.6040 -0.4976 309SOL H217055 3.246 2.348 6.907 -1.2825 0.0988 1.1752 310SOL OH217056 0.497 1.663 0.499 0.0441 -0.3543 -0.0822 310SOL H117057 0.575 1.685 0.550 -0.5699 -0.3399 0.8751 310SOL H217058 0.488 1.733 0.435 -1.8975 2.4071 2.8916 311SOL OH217059 1.424 0.030 0.522 -0.3630 0.3713 -0.2993 311SOL H117060 1.394 0.072 0.603 0.9513 1.6151 -0.4224 311SOL H217061 1.386 0.083 0.452 -0.0114 0.3957 -0.4740 312SOL OH217062 5.957 2.970 6.777 0.2917 -0.4394 0.0512 312SOL H117063 5.963 2.878 6.752 -2.6734 -0.7411 0.0383 312SOL H217064 5.929 2.968 6.869 0.5308 0.4618 0.1565 313SOL OH217065 3.207 5.819 7.628 0.4210 0.5305 -0.4474 313SOL H117066 3.168 5.865 7.703 -0.7878 -0.9366 -0.1212 313SOL H217067 3.194 5.878 7.554 -1.6428 0.5047 -0.1536 314SOL OH217068 4.322 0.408 8.307 0.1742 0.1196 0.2631 314SOL H117069 4.319 0.457 8.225 0.2263 0.5960 0.5448 314SOL H217070 4.246 0.350 8.303 -0.2482 0.6711 0.2122 315SOL OH217071 5.835 5.252 2.105 -0.0126 0.1026 0.2011 315SOL H117072 5.783 5.223 2.180 -1.6697 -0.8384 -1.2176 315SOL H217073 5.899 5.182 2.092 0.0796 0.1203 0.5438 316SOL OH217074 1.296 5.652 7.996 0.5106 0.7824 -0.0310 316SOL H117075 1.334 5.606 8.071 -1.8741 -1.2752 0.0557 316SOL H217076 1.214 5.689 8.030 -0.7430 -0.4076 -1.6072 317SOL OH217077 3.290 5.210 8.327 0.2215 -0.2794 0.0492 317SOL H117078 3.382 5.193 8.308 -0.0958 0.2104 -2.1947 317SOL H217079 3.242 5.154 8.266 -1.0645 -1.8981 2.3716 318SOL OH217080 0.646 3.982 0.393 0.2594 -0.5589 -0.0257 318SOL H117081 0.684 3.926 0.460 -2.0339 -1.1464 0.8921 318SOL H217082 0.691 4.066 0.402 -0.5977 -0.3073 2.9587 319SOL OH217083 3.991 2.320 1.559 0.2022 0.0492 0.1909 319SOL H117084 3.923 2.306 1.625 -0.3916 -0.2050 -0.4573 319SOL H217085 4.073 2.310 1.607 -0.2027 -1.7137 0.6085 320SOL OH217086 5.280 2.258 2.284 -0.3133 0.3807 -0.2135 320SOL H117087 5.296 2.285 2.375 0.7841 1.1381 -0.6122 320SOL H217088 5.330 2.176 2.275 -0.6522 0.1536 -0.0633 321SOL OH217089 5.842 1.388 0.755 0.0264 -0.0339 -0.5232 321SOL H117090 5.814 1.393 0.847 -2.8435 1.7031 -1.3540 321SOL H217091 5.853 1.294 0.739 -3.0610 -0.7491 0.7160 322SOL OH217092 5.089 4.130 2.009 -0.5246 0.1115 -0.0533 322SOL H117093 5.031 4.055 2.014 0.3327 -0.5537 0.1836 322SOL H217094 5.131 4.133 2.095 0.0428 0.3651 -0.3356 323SOL OH217095 3.621 0.622 7.862 0.3056 0.1230 -0.3945 323SOL H117096 3.599 0.540 7.817 0.8844 1.0838 -2.5194 323SOL H217097 3.692 0.659 7.811 1.9187 0.6964 2.0864 324SOL OH217098 4.307 0.601 1.543 0.6076 0.1086 0.5227 324SOL H117099 4.277 0.519 1.503 0.3954 -0.5912 2.0260 324SOL H217100 4.239 0.622 1.607 1.0703 1.0230 0.7252 325SOL OH217101 1.148 1.011 0.125 -0.5952 0.0771 0.5044 325SOL H117102 1.230 1.058 0.109 -1.6189 1.6500 -0.3679 325SOL H217103 1.126 1.029 0.216 -1.3247 1.9444 -0.0000 326SOL OH217104 3.667 4.174 7.136 0.4821 -0.1695 -0.6240 326SOL H117105 3.745 4.204 7.183 0.0939 0.7556 -0.5617 326SOL H217106 3.638 4.250 7.086 0.5067 -0.9396 -1.8758 327SOL OH217107 5.413 5.190 7.442 -0.0557 -0.0395 0.5249 327SOL H117108 5.378 5.103 7.423 -2.9396 1.3731 -1.3228 327SOL H217109 5.355 5.225 7.510 2.3644 -0.1936 2.8609 328SOL OH217110 5.953 0.401 8.357 0.4126 -0.2820 -1.0049 328SOL H117111 5.923 0.486 8.325 0.3671 -0.1481 -0.6105 328SOL H217112 5.933 0.341 8.285 -0.6939 -0.1778 -0.8047 329SOL OH217113 5.968 0.929 0.517 0.2118 -0.0933 -0.1785 329SOL H117114 5.982 0.839 0.544 -2.6265 -0.3120 0.9276 329SOL H217115 5.892 0.925 0.459 -0.0032 1.5909 -0.0689 330SOL OH217116 2.830 3.234 7.006 0.2872 0.2194 -0.3647 330SOL H117117 2.895 3.299 6.981 -0.1187 1.6096 1.8751 330SOL H217118 2.864 3.195 7.086 -1.0797 0.1771 0.2345 331SOL OH217119 1.975 0.813 7.424 0.1794 0.0688 0.4993 331SOL H117120 1.936 0.899 7.412 1.5174 0.6025 -0.2552 331SOL H217121 2.043 0.826 7.490 -0.5245 -0.7273 1.4130 332SOL OH217122 3.502 1.285 8.088 -0.4609 0.3430 0.2346 332SOL H117123 3.444 1.351 8.126 -1.6532 0.0027 -0.9280 332SOL H217124 3.444 1.230 8.035 0.5289 -1.5434 1.0266 333SOL OH217125 4.909 0.504 0.678 0.0970 0.0137 0.2853 333SOL H117126 4.899 0.595 0.705 0.7980 0.3262 -0.4931 333SOL H217127 4.836 0.487 0.619 -1.3251 -0.6102 2.0939 334SOL OH217128 2.887 2.142 1.344 -0.0197 0.6049 0.2967 334SOL H117129 2.940 2.063 1.346 1.5576 1.5825 -0.4889 334SOL H217130 2.950 2.214 1.355 -0.7181 1.9848 -3.1895 335SOL OH217131 2.799 2.461 0.992 0.2689 -0.2862 -0.1210 335SOL H117132 2.804 2.533 0.928 1.5799 -1.2915 -1.2060 335SOL H217133 2.710 2.427 0.982 0.4973 -0.5183 -1.5294 336SOL OH217134 0.286 1.768 0.701 0.9241 -0.6315 -0.2467 336SOL H117135 0.279 1.712 0.625 1.1067 -0.5859 -0.2995 336SOL H217136 0.364 1.736 0.747 0.4899 -1.0270 0.2277 337SOL OH217137 0.158 5.683 7.645 0.1801 -0.8621 1.0647 337SOL H117138 0.134 5.604 7.597 -0.8230 -0.4715 0.9053 337SOL H217139 0.074 5.722 7.671 0.6032 0.7215 0.2052 338SOL OH217140 0.998 1.335 0.475 0.0766 -0.2652 -0.2767 338SOL H117141 0.952 1.262 0.433 -1.1469 0.2163 0.1817 338SOL H217142 1.070 1.294 0.522 -0.0143 -1.0759 -0.8218 339SOL OH217143 0.166 0.434 7.320 0.1040 -0.3497 0.4270 339SOL H117144 0.113 0.363 7.284 1.2351 -0.6180 -0.7836 339SOL H217145 0.221 0.392 7.386 0.9719 -0.6705 -0.4865 340SOL OH217146 2.790 0.962 1.231 -0.1485 0.3134 0.0712 340SOL H117147 2.695 0.964 1.241 -0.1911 0.1658 -0.2928 340SOL H217148 2.822 1.029 1.292 -0.6440 2.2651 -1.6710 341SOL OH217149 4.002 1.158 7.498 -0.0199 0.5292 -0.2110 341SOL H117150 3.971 1.244 7.527 -1.1490 -0.5498 2.0024 341SOL H217151 3.965 1.149 7.409 -2.5450 1.0866 0.6830 342SOL OH217152 4.239 4.017 2.216 -0.5844 0.2374 0.5442 342SOL H117153 4.231 4.059 2.301 -0.7119 0.3223 0.4902 342SOL H217154 4.239 3.923 2.235 0.1917 0.2601 0.7102 343SOL OH217155 5.461 2.761 1.386 -0.0488 -0.1226 0.2551 343SOL H117156 5.441 2.717 1.303 1.0317 -1.8357 0.8592 343SOL H217157 5.375 2.774 1.426 -0.5047 -0.3283 -0.6226 344SOL OH217158 2.619 4.255 8.263 0.6686 -0.0704 -0.0936 344SOL H117159 2.584 4.310 8.334 0.7847 0.4666 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H117213 3.902 0.263 1.798 0.8746 -0.9160 0.9465 362SOL H217214 3.817 0.139 1.816 -1.3171 0.3328 -0.4018 363SOL OH217215 5.797 4.650 0.623 0.2072 -0.2350 -0.2349 363SOL H117216 5.724 4.657 0.561 0.9642 -0.7349 -1.2165 363SOL H217217 5.816 4.740 0.649 -0.9410 -0.1182 0.2685 364SOL OH217218 0.161 3.530 7.957 -0.0602 0.1038 0.3118 364SOL H117219 0.172 3.620 7.988 -0.3533 -0.8261 3.4782 364SOL H217220 0.072 3.528 7.922 -0.0905 1.0151 0.3020 365SOL OH217221 0.489 0.850 8.015 -0.2361 -0.0109 0.4114 365SOL H117222 0.395 0.858 8.000 -0.3940 0.4847 1.6024 365SOL H217223 0.507 0.757 7.998 -0.8394 -0.0075 -0.3056 366SOL OH217224 1.695 5.169 0.907 -0.1308 -0.2449 -0.2954 366SOL H117225 1.626 5.103 0.916 -0.5055 0.0300 -1.1155 366SOL H217226 1.740 5.168 0.992 -1.6565 0.1610 0.5436 367SOL OH217227 4.769 4.358 7.267 -0.0329 0.4922 0.8025 367SOL H117228 4.675 4.364 7.249 0.1043 1.1118 0.2232 367SOL H217229 4.806 4.323 7.186 0.1209 -0.7886 1.4080 368SOL OH217230 2.261 5.342 8.040 -0.1022 0.6079 0.2913 368SOL H117231 2.184 5.389 8.008 1.3289 3.5995 0.8842 368SOL H217232 2.332 5.368 7.981 1.1298 0.6307 1.7148 369SOL OH217233 2.792 1.856 1.261 -0.3083 0.4177 -0.1587 369SOL H117234 2.773 1.779 1.207 -1.3165 -1.2107 2.3206 369SOL H217235 2.885 1.874 1.246 0.0594 -1.5504 -0.4725 370SOL OH217236 3.672 3.382 1.050 0.1466 0.1007 0.1194 370SOL H117237 3.727 3.348 0.979 1.2944 -0.3575 1.2007 370SOL H217238 3.717 3.459 1.081 -0.3387 0.2818 0.3849 371SOL OH217239 1.093 5.532 7.354 0.6538 -0.1662 0.1421 371SOL H117240 1.126 5.460 7.301 -0.1899 -0.1802 -0.3882 371SOL H217241 1.005 5.505 7.379 0.6184 0.3435 0.5803 372SOL OH217242 5.116 5.947 6.717 -0.0381 -0.5214 0.1191 372SOL H117243 5.149 6.013 6.655 -1.5255 0.3666 0.2434 372SOL H217244 5.116 5.866 6.666 0.0195 -0.0623 -0.6381 373SOL OH217245 2.072 5.779 8.069 0.4962 -0.2469 0.0324 373SOL H117246 1.980 5.780 8.097 0.5053 0.8478 0.0789 373SOL H217247 2.116 5.725 8.134 -0.2656 -1.6291 -0.5482 374SOL OH217248 5.260 3.054 8.271 -0.2680 -0.9273 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410SOL OH217356 4.091 5.756 2.264 -0.1506 -0.1242 -0.1872 410SOL H117357 4.175 5.734 2.305 0.3513 1.7001 -0.1435 410SOL H217358 4.027 5.742 2.334 0.4476 0.9649 0.6097 411SOL OH217359 4.067 3.201 6.571 -0.3596 -0.1525 0.0763 411SOL H117360 4.139 3.140 6.588 -0.0782 -0.0767 -0.7971 411SOL H217361 4.055 3.199 6.476 -1.7428 -0.4178 0.2319 412SOL OH217362 4.299 5.928 0.786 -0.0822 -0.4395 -0.4025 412SOL H117363 4.337 5.911 0.872 -0.1587 0.2088 -0.2369 412SOL H217364 4.231 5.993 0.802 0.0261 -0.1772 -0.9773 413SOL OH217365 4.106 2.758 1.551 0.0039 -0.0183 -0.2485 413SOL H117366 4.149 2.757 1.466 0.7615 1.9907 0.0467 413SOL H217367 4.019 2.796 1.534 0.4438 1.1346 -0.0606 414SOL OH217368 3.195 2.880 7.443 -0.1456 -0.4291 -0.1748 414SOL H117369 3.194 2.827 7.523 -1.0677 0.1144 0.1915 414SOL H217370 3.190 2.971 7.474 0.4834 -0.1619 -0.8261 415SOL OH217371 6.079 3.407 1.153 -0.1834 0.2741 -0.5160 415SOL H117372 6.108 3.333 1.099 -0.1988 -0.5236 0.5450 415SOL H217373 5.987 3.389 1.170 0.0203 0.1069 0.4324 416SOL OH217374 2.331 3.633 8.274 -0.1760 0.5541 -0.0503 416SOL H117375 2.386 3.556 8.262 -1.5743 -0.4150 -0.3812 416SOL H217376 2.343 3.684 8.193 -0.9160 -0.4022 -0.7807 417SOL OH217377 0.796 0.196 0.443 0.2043 -0.2116 -0.3951 417SOL H117378 0.870 0.191 0.503 0.2520 2.3992 -0.1351 417SOL H217379 0.792 0.288 0.417 -0.2094 -1.0684 -3.9014 418SOL OH217380 4.719 5.748 1.421 -0.4525 -0.7534 -0.2188 418SOL H117381 4.810 5.766 1.398 -0.8253 -0.0123 -1.1664 418SOL H217382 4.668 5.810 1.369 -1.4123 0.2612 1.8074 419SOL OH217383 5.582 1.876 2.119 0.0763 0.2752 -0.3040 419SOL H117384 5.663 1.922 2.143 0.2901 -1.1280 1.9644 419SOL H217385 5.600 1.784 2.139 -1.7274 -0.2305 -0.8074 420SOL OH217386 3.916 2.741 1.766 -0.9441 -0.0859 0.6773 420SOL H117387 3.950 2.786 1.843 -0.0920 -0.7042 0.6772 420SOL H217388 3.984 2.751 1.699 -1.4463 0.0027 0.1705 421SOL OH217389 5.699 3.179 6.785 0.1953 0.3988 -0.4867 421SOL H117390 5.615 3.176 6.738 -0.7635 -0.8417 1.2092 421SOL H217391 5.734 3.090 6.779 0.5496 0.4800 0.2629 422SOL OH217392 4.731 0.599 1.612 0.3440 -0.1388 -0.0721 422SOL H117393 4.767 0.598 1.701 -1.3168 -0.0231 0.6415 422SOL H217394 4.803 0.629 1.557 1.3135 0.0868 1.2713 423SOL OH217395 2.024 1.212 6.541 -0.2537 -0.3414 0.3062 423SOL H117396 1.945 1.211 6.594 -1.1206 -3.2435 -0.8414 423SOL H217397 1.996 1.247 6.456 0.1787 0.5233 0.5165 424SOL OH217398 3.060 0.818 0.618 -0.1372 -0.1024 -0.0535 424SOL H117399 3.047 0.766 0.697 1.1998 -2.7778 -1.4453 424SOL H217400 3.020 0.766 0.548 -0.7160 1.8644 -1.2701 425SOL OH217401 1.029 2.581 8.089 -0.5311 -0.1530 -0.6839 425SOL H117402 0.949 2.564 8.039 -1.9715 1.7274 0.8161 425SOL H217403 1.100 2.558 8.029 -2.1727 -0.0464 -2.7970 426SOL OH217404 2.268 2.397 8.306 -0.4392 0.8756 0.7754 426SOL H117405 2.301 2.443 8.229 -0.0915 0.0628 0.4290 426SOL H217406 2.298 2.449 8.380 0.5478 0.8395 0.4162 427SOL OH217407 0.539 1.311 1.186 -0.0352 0.0389 -0.0237 427SOL H117408 0.621 1.291 1.141 0.3365 3.3082 -1.0253 427SOL H217409 0.565 1.361 1.263 -1.0573 0.7613 -0.1235 428SOL OH217410 1.449 1.785 7.251 0.0782 -0.5881 -0.3814 428SOL H117411 1.542 1.793 7.230 -0.1032 1.3625 -0.6374 428SOL H217412 1.404 1.828 7.178 -0.8210 1.5784 1.3530 429SOL OH217413 2.789 1.178 8.150 -0.4110 -0.2579 -0.1070 429SOL H117414 2.791 1.169 8.245 -1.7700 -1.3496 -0.1494 429SOL H217415 2.735 1.104 8.120 1.4366 -0.9963 -1.8709 430SOL OH217416 4.387 1.007 1.351 -0.0923 -0.0901 -0.2599 430SOL H117417 4.448 1.044 1.288 -0.1190 0.8694 0.2713 430SOL H217418 4.440 0.991 1.429 0.2285 -2.4120 -0.8633 431SOL OH217419 1.945 2.572 2.009 -0.8268 -0.3301 0.3448 431SOL H117420 1.925 2.633 2.080 -1.5372 0.0697 -0.1865 431SOL H217421 1.880 2.502 2.018 -0.7117 -0.4453 0.2861 432SOL OH217422 1.123 3.938 1.881 0.0424 -0.0507 -0.2260 432SOL H117423 1.125 3.858 1.933 0.6535 -0.2343 -0.5197 432SOL H217424 1.123 4.009 1.945 0.8732 -0.2731 0.0380 433SOL OH217425 5.360 1.921 1.890 -0.5877 0.2607 -0.3726 433SOL H117426 5.339 1.877 1.972 -2.0830 1.2727 -0.1700 433SOL H217427 5.449 1.953 1.902 0.4484 -2.3077 -0.3954 434SOL OH217428 2.740 3.845 6.899 -0.2921 -0.5903 0.0328 434SOL H117429 2.651 3.815 6.881 0.3069 -1.6159 -1.4686 434SOL H217430 2.749 3.924 6.845 0.2646 -1.5260 -1.3127 435SOL OH217431 4.955 0.481 7.401 0.1529 0.9488 0.1185 435SOL H117432 4.864 0.478 7.372 0.5502 0.4081 -1.1569 435SOL H217433 5.005 0.453 7.325 1.6906 4.6527 -0.4379 436SOL OH217434 3.311 2.708 7.999 0.5963 0.1051 0.0809 436SOL H117435 3.276 2.658 7.925 -3.2648 0.8055 1.1993 436SOL H217436 3.351 2.641 8.056 2.5580 -0.5752 -1.9468 437SOL OH217437 0.206 5.949 0.824 -0.9272 -0.3794 0.2532 437SOL H117438 0.252 5.950 0.740 -0.3429 2.2322 0.5274 437SOL H217439 0.270 5.917 0.887 -0.7351 -0.4044 0.0456 438SOL OH217440 0.498 5.219 7.146 -0.1739 0.5901 -0.1331 438SOL H117441 0.535 5.186 7.228 -1.1935 1.0500 0.5351 438SOL H217442 0.458 5.303 7.170 -0.7973 0.5678 -1.0328 439SOL OH217443 0.875 4.001 1.083 -0.1986 0.0698 -0.7730 439SOL H117444 0.873 4.065 1.153 -0.4945 0.2014 -0.9031 439SOL H217445 0.929 3.930 1.117 -3.2846 -1.5970 1.0892 440SOL OH217446 -0.001 1.288 1.745 -0.2394 0.0743 -0.1678 440SOL H117447 0.083 1.261 1.781 0.1900 1.9556 0.3500 440SOL H217448 -0.030 1.213 1.693 0.3753 -1.7003 1.9375 441SOL OH217449 3.795 1.942 7.682 0.1337 0.1838 0.0062 441SOL H117450 3.845 2.019 7.708 -1.9016 0.7957 2.5336 441SOL H217451 3.772 1.957 7.591 1.3527 1.6447 -0.0901 442SOL OH217452 4.525 2.962 7.933 0.2530 -0.6473 -0.0701 442SOL H117453 4.581 2.884 7.926 -0.2198 -1.0534 0.5279 442SOL H217454 4.479 2.950 8.016 0.6345 0.5811 0.3294 443SOL OH217455 4.379 1.852 1.978 -0.0106 -0.2148 -0.2525 443SOL H117456 4.365 1.823 2.068 -0.8866 2.4290 0.5640 443SOL H217457 4.294 1.839 1.935 -0.0631 0.0118 -0.2201 444SOL OH217458 1.245 0.163 1.870 -0.1634 0.1198 0.3339 444SOL H117459 1.157 0.192 1.895 0.4798 0.7163 2.1030 444SOL H217460 1.244 0.069 1.886 -0.0828 0.3383 1.8012 445SOL OH217461 3.182 3.763 7.516 -0.0208 0.0848 0.0512 445SOL H117462 3.203 3.775 7.609 0.6714 0.9603 -0.2045 445SOL H217463 3.093 3.727 7.516 0.8508 -2.2674 1.1254 446SOL OH217464 1.924 1.359 0.940 0.1924 0.4927 -0.6478 446SOL H117465 1.952 1.435 0.991 0.1463 0.8783 -1.1829 446SOL H217466 1.906 1.291 1.005 -1.6477 1.5327 -0.0229 447SOL OH217467 1.855 1.759 2.697 -0.2272 -0.6795 0.3655 447SOL H117468 1.893 1.756 2.784 -0.5044 0.1765 0.5341 447SOL H217469 1.887 1.842 2.660 -2.4735 0.4718 0.8087 448SOL OH217470 3.617 2.416 2.367 -0.5572 -0.6893 -0.0706 448SOL H117471 3.545 2.397 2.307 -1.3928 1.0347 0.3332 448SOL H217472 3.574 2.454 2.444 0.5557 -2.0433 1.3082 449SOL OH217473 3.434 0.037 2.249 -0.5704 0.9460 -0.0841 449SOL H117474 3.376 0.112 2.265 0.8140 1.8838 0.8145 449SOL H217475 3.456 0.044 2.156 -0.7807 1.4232 -0.1047 450SOL OH217476 5.919 1.773 0.009 0.0974 -0.3536 0.2286 450SOL H117477 5.982 1.764 -0.062 0.7035 -1.0550 0.8317 450SOL H217478 5.936 1.697 0.065 -1.0868 -0.3878 0.5584 451SOL OH217479 1.279 3.570 1.594 0.3816 0.7667 0.4161 451SOL H117480 1.338 3.541 1.523 -0.5794 -1.7594 0.5564 451SOL H217481 1.338 3.593 1.666 1.2893 1.4151 -0.5051 452SOL OH217482 3.970 5.771 1.792 -0.1885 -0.3379 0.6618 452SOL H117483 3.999 5.680 1.780 -1.4004 -0.6724 0.1100 452SOL H217484 4.050 5.822 1.791 0.3620 -1.1689 -1.3647 453SOL OH217485 0.667 2.536 0.518 0.0493 -0.6794 -0.6049 453SOL H117486 0.654 2.630 0.502 -3.5457 -1.3204 -2.5056 453SOL H217487 0.746 2.514 0.469 1.2134 1.3478 0.2268 454SOL OH217488 2.727 1.453 2.070 -0.1007 0.3449 -0.3449 454SOL H117489 2.727 1.456 1.975 -0.8967 -1.1604 -0.4275 454SOL H217490 2.789 1.521 2.097 0.8118 0.1826 -1.9441 455SOL OH217491 4.520 1.158 1.148 -0.1838 -0.3654 -0.3158 455SOL H117492 4.566 1.242 1.159 -1.3334 0.2703 -0.2491 455SOL H217493 4.537 1.134 1.057 0.8861 -0.5234 -0.0940 456SOL OH217494 1.952 1.908 0.664 0.4797 0.4000 0.0661 456SOL H117495 2.028 1.922 0.607 -1.8594 0.0859 -3.4173 456SOL H217496 1.965 1.821 0.700 1.0029 -0.4024 -1.8972 457SOL OH217497 2.406 0.541 2.181 0.0915 0.1951 -0.0755 457SOL H117498 2.401 0.585 2.097 -1.3043 1.2207 0.5082 457SOL H217499 2.398 0.611 2.246 0.1900 -0.6662 0.9060 458SOL OH217500 4.603 3.819 8.063 0.4291 -0.3437 -0.6710 458SOL H117501 4.607 3.902 8.016 -2.7580 0.4095 0.1301 458SOL H217502 4.644 3.838 8.148 -0.3623 0.4901 -0.4534 459SOL OH217503 1.817 1.705 7.828 -0.3363 0.1704 0.2837 459SOL H117504 1.753 1.714 7.758 -0.8707 -1.0918 0.5608 459SOL H217505 1.896 1.674 7.785 -0.7836 -0.9905 0.2590 460SOL OH217506 0.946 0.863 7.479 -0.2783 -0.2858 0.6437 460SOL H117507 0.976 0.804 7.548 0.7785 -0.0336 0.4303 460SOL H217508 0.854 0.842 7.467 0.0456 -1.8007 0.6535 461SOL OH217509 1.021 1.939 2.146 -0.6805 0.1688 0.0993 461SOL H117510 1.030 1.963 2.239 1.3440 -1.2027 0.3255 461SOL H217511 0.981 2.016 2.106 -0.1868 1.4183 1.8494 462SOL OH217512 3.949 3.582 2.388 0.1477 -0.3480 0.1339 462SOL H117513 3.936 3.494 2.421 2.1044 -0.0881 1.7684 462SOL H217514 3.950 3.572 2.293 1.4329 -2.2654 0.3075 463SOL OH217515 0.228 1.274 7.215 -0.4392 -0.1977 0.5466 463SOL H117516 0.191 1.218 7.283 1.2269 -1.6628 0.3212 463SOL H217517 0.160 1.338 7.196 -1.8363 -1.2299 1.8997 464SOL OH217518 5.542 5.808 1.431 0.1285 -0.3771 -0.0720 464SOL H117519 5.506 5.892 1.460 -1.9643 -1.0213 -0.6400 464SOL H217520 5.557 5.820 1.337 -0.2376 -0.6488 -0.1673 465SOL OH217521 6.067 0.220 1.091 0.6186 -0.1097 0.5332 465SOL H117522 5.986 0.270 1.103 0.1957 -0.2179 -1.4849 465SOL H217523 6.133 0.286 1.070 0.2727 -0.2429 -1.1547 466SOL OH217524 2.682 1.112 0.512 -0.0036 -0.1340 -0.1257 466SOL H117525 2.703 1.057 0.437 1.0436 -0.0800 0.1184 466SOL H217526 2.728 1.072 0.585 -1.3734 -0.4473 0.6079 467SOL OH217527 1.271 4.924 6.731 0.3959 0.2657 -0.0837 467SOL H117528 1.291 5.013 6.700 0.0597 0.4436 0.2031 467SOL H217529 1.179 4.927 6.755 0.3441 -0.2092 -0.2167 468SOL OH217530 0.888 2.537 1.944 -0.7755 0.3058 -0.5030 468SOL H117531 0.825 2.479 1.986 -0.9286 0.6077 -0.3150 468SOL H217532 0.878 2.519 1.850 -2.8457 2.0162 -0.6956 469SOL OH217533 2.492 1.577 1.859 -0.0548 -0.0584 -0.3663 469SOL H117534 2.525 1.572 1.769 -0.7531 0.4889 -0.6656 469SOL H217535 2.521 1.663 1.890 -1.9468 0.8829 -0.9805 470SOL OH217536 3.579 0.949 0.962 0.7043 0.1417 -0.1364 470SOL H117537 3.520 0.886 1.003 0.7702 1.0682 1.4712 470SOL H217538 3.631 0.898 0.900 -0.7352 -0.9531 -0.4894 471SOL OH217539 4.177 2.572 2.182 -0.1431 -0.1056 -0.0182 471SOL H117540 4.098 2.527 2.153 1.1966 -1.8515 -1.1313 471SOL H217541 4.230 2.504 2.223 0.3373 1.2589 1.7934 472SOL OH217542 0.931 2.307 6.739 0.0971 -0.3022 0.8655 472SOL H117543 1.008 2.250 6.747 -0.2942 -1.0200 -0.2449 472SOL H217544 0.958 2.376 6.679 0.1033 -0.1522 1.0409 473SOL OH217545 2.112 1.853 2.061 -0.0699 0.0299 0.4810 473SOL H117546 2.203 1.836 2.086 0.0029 -0.1526 0.1044 473SOL H217547 2.079 1.914 2.127 -0.0825 -0.9411 1.3905 474SOL OH217548 2.285 4.796 7.344 -0.1630 0.1727 0.3047 474SOL H117549 2.277 4.725 7.409 -1.3203 0.5369 0.5770 474SOL H217550 2.249 4.759 7.264 2.9396 -0.9316 -0.7369 475SOL OH217551 3.974 3.812 2.211 -0.2131 0.3518 0.3168 475SOL H117552 3.938 3.877 2.272 -0.7446 -1.3276 1.8825 475SOL H217553 4.045 3.771 2.260 0.8029 0.4390 -1.0429 476SOL OH217554 3.239 3.986 1.248 -0.3308 -0.2283 -0.2456 476SOL H117555 3.321 3.972 1.201 -1.8306 -1.1845 -2.8154 476SOL H217556 3.259 3.962 1.338 1.6507 -2.8041 -1.2255 477SOL OH217557 1.196 5.219 1.921 0.5784 -0.0495 -0.0117 477SOL H117558 1.200 5.288 1.988 -0.8211 0.5882 -0.5507 477SOL H217559 1.243 5.256 1.846 -0.6655 0.5966 -0.5053 478SOL OH217560 3.441 1.987 8.263 0.1513 -0.5756 -0.1389 478SOL H117561 3.472 1.919 8.203 -0.1691 -0.1099 -0.8519 478SOL H217562 3.519 2.038 8.285 -0.0737 0.7452 -2.1152 479SOL OH217563 0.449 4.398 1.590 0.3459 -0.4443 0.6777 479SOL H117564 0.478 4.437 1.673 0.4740 -1.1869 0.9921 479SOL H217565 0.498 4.445 1.523 -1.2088 1.5456 0.8428 480SOL OH217566 3.324 1.462 8.266 -0.3043 0.2661 0.2473 480SOL H117567 3.258 1.499 8.323 -0.4046 -1.4655 1.3304 480SOL H217568 3.325 1.368 8.287 1.8558 0.0876 -0.3657 481SOL OH217569 3.954 0.513 0.084 -0.0116 -0.0167 0.1108 481SOL H117570 3.901 0.575 0.035 -0.5025 -0.2873 0.2875 481SOL H217571 3.989 0.453 0.017 -0.1920 -0.0285 0.0261 482SOL OH217572 0.691 1.326 1.721 0.4468 0.6570 -0.4946 482SOL H117573 0.740 1.329 1.639 1.2460 -0.6196 -0.0891 482SOL H217574 0.757 1.317 1.789 -0.3280 -2.0974 -0.0039 483SOL OH217575 1.086 0.444 8.132 0.1391 -0.5360 -0.5481 483SOL H117576 1.036 0.437 8.050 0.1992 -3.9129 -0.4357 483SOL H217577 1.174 0.415 8.109 0.5189 -0.1970 0.4486 484SOL OH217578 2.034 4.562 7.939 -0.0169 -0.0517 0.0968 484SOL H117579 1.991 4.620 8.002 1.3349 0.3746 0.6550 484SOL H217580 2.007 4.474 7.965 0.2303 0.1466 1.0572 485SOL OH217581 2.552 2.342 1.711 -0.6170 0.5681 -0.0793 485SOL H117582 2.520 2.286 1.782 -3.1262 0.5496 -1.1188 485SOL H217583 2.569 2.281 1.639 -0.4576 0.8380 -0.2725 486SOL OH217584 3.640 3.632 0.803 0.0010 -0.1701 -0.4983 486SOL H117585 3.676 3.692 0.869 -1.4794 0.0634 0.1367 486SOL H217586 3.638 3.683 0.722 0.1263 0.1550 -0.2975 487SOL OH217587 2.564 3.615 2.132 0.9084 0.1809 -0.5764 487SOL H117588 2.519 3.699 2.137 0.0884 -0.2590 -0.4542 487SOL H217589 2.589 3.596 2.223 0.0807 -0.2440 -0.4299 488SOL OH217590 2.496 5.078 1.303 0.3791 0.1871 0.1896 488SOL H117591 2.561 5.145 1.326 0.3363 0.6062 -0.8399 488SOL H217592 2.501 5.015 1.374 1.5933 0.4422 0.3677 489SOL OH217593 0.658 3.530 0.698 0.0881 0.2085 0.0941 489SOL H117594 0.571 3.564 0.680 0.3849 0.2477 -1.3914 489SOL H217595 0.715 3.607 0.701 0.2590 0.0942 -0.1354 490SOL OH217596 3.692 4.572 0.118 -0.3443 0.2366 0.4019 490SOL H117597 3.676 4.572 0.024 -2.8574 -0.8968 0.7578 490SOL H217598 3.657 4.488 0.148 -1.9137 1.5923 2.6609 491SOL OH217599 4.299 3.190 0.438 0.2349 0.3122 0.4722 491SOL H117600 4.369 3.255 0.430 0.9667 -0.6396 -1.6223 491SOL H217601 4.323 3.121 0.376 -1.8224 -0.7465 0.7604 492SOL OH217602 5.761 1.185 1.581 0.5324 -0.4701 0.5818 492SOL H117603 5.837 1.176 1.525 1.1423 -0.4141 1.3867 492SOL H217604 5.742 1.279 1.580 -0.6916 -0.6789 -1.0972 493SOL OH217605 4.150 3.349 0.070 0.4955 -0.2633 -0.0042 493SOL H117606 4.101 3.399 0.005 1.0651 0.8588 0.3984 493SOL H217607 4.087 3.334 0.141 -0.4326 -2.3819 -1.2030 494SOL OH217608 3.489 2.978 0.236 -0.0478 -0.1385 0.8683 494SOL H117609 3.499 3.018 0.323 -0.8274 -1.7920 1.7638 494SOL H217610 3.402 3.005 0.207 0.5125 1.0693 0.1931 495SOL OH217611 0.878 3.204 2.101 -0.5681 -0.0360 -0.0644 495SOL H117612 0.866 3.211 2.196 0.2583 -0.1100 0.0586 495SOL H217613 0.949 3.265 2.081 0.6769 -1.4730 -0.3004 496SOL OH217614 0.558 0.495 0.346 -0.4194 -0.0167 -0.0188 496SOL H117615 0.551 0.439 0.423 -0.1722 -0.0800 -0.0423 496SOL H217616 0.482 0.553 0.352 0.0088 0.4957 0.6916 497SOL OH217617 4.469 4.450 6.573 0.1169 -0.4431 0.4042 497SOL H117618 4.473 4.359 6.602 -1.3400 -0.5990 0.1976 497SOL H217619 4.414 4.493 6.638 0.6639 0.2756 0.4085 498SOL OH217620 0.622 1.717 7.804 0.3847 -0.3774 0.5430 498SOL H117621 0.539 1.669 7.797 0.1315 0.2246 -0.9139 498SOL H217622 0.598 1.801 7.842 0.5394 -0.6668 1.3039 499SOL OH217623 5.122 5.485 6.401 0.4404 -0.0783 -0.2426 499SOL H117624 5.159 5.519 6.319 2.6281 2.8329 1.7111 499SOL H217625 5.146 5.392 6.401 1.5175 0.1264 -2.3079 500SOL OH217626 3.274 4.418 7.926 -0.1887 -0.0023 0.2856 500SOL H117627 3.318 4.429 7.843 -1.8845 1.2112 -0.5212 500SOL H217628 3.200 4.360 7.907 0.9299 -1.9412 1.5778 501SOL OH217629 5.031 0.285 0.066 -0.0601 -0.0559 -0.6383 501SOL H117630 4.965 0.231 0.110 -0.5746 0.8903 -0.2129 501SOL H217631 5.072 0.335 0.136 -1.2388 1.8517 -1.2144 502SOL OH217632 2.149 1.234 6.773 0.2408 -0.3595 -0.4521 502SOL H117633 2.097 1.236 6.692 -0.1771 -3.2086 -0.3541 502SOL H217634 2.212 1.306 6.763 -0.2922 -0.1612 -2.9610 503SOL OH217635 0.651 0.151 7.233 -0.5421 0.0150 0.2130 503SOL H117636 0.683 0.069 7.270 -0.5278 -0.4138 -0.7438 503SOL H217637 0.558 0.152 7.254 -0.2809 0.4471 1.4758 504SOL OH217638 5.615 2.918 2.500 -0.0899 0.0753 0.1241 504SOL H117639 5.591 3.010 2.514 -1.3304 -0.3750 1.1947 504SOL H217640 5.609 2.879 2.587 -1.3176 -1.3923 -0.5702 505SOL OH217641 3.612 1.674 0.934 0.0048 -0.2317 0.2308 505SOL H117642 3.648 1.758 0.962 -1.4325 0.7961 -0.8174 505SOL H217643 3.642 1.612 1.000 -0.3089 1.4177 2.0292 506SOL OH217644 5.037 4.194 7.842 0.6645 0.1262 -0.4461 506SOL H117645 4.989 4.194 7.925 2.3086 0.7279 0.5598 506SOL H217646 5.050 4.102 7.821 -0.4226 -0.0384 -0.4540 507SOL OH217647 5.629 2.494 1.064 -0.0180 0.8952 0.4470 507SOL H117648 5.723 2.493 1.081 0.0886 0.1745 -0.1428 507SOL H217649 5.608 2.404 1.038 -1.1077 0.7240 1.7925 508SOL OH217650 3.348 1.222 0.117 -0.0627 -0.0818 -0.0047 508SOL H117651 3.374 1.150 0.059 -0.3896 0.8207 -1.3123 508SOL H217652 3.429 1.247 0.162 0.2968 -0.5010 -0.4051 509SOL OH217653 0.319 1.376 1.620 0.1378 0.5331 0.2854 509SOL H117654 0.339 1.285 1.598 -1.0194 -0.9738 4.5050 509SOL H217655 0.225 1.384 1.606 -0.0787 0.4509 1.5514 510SOL OH217656 5.039 2.068 7.563 0.2597 -0.1489 -0.0780 510SOL H117657 4.980 2.039 7.632 -1.7591 1.2810 -1.0956 510SOL H217658 5.106 2.000 7.558 -2.1414 -2.6900 0.1180 511SOL OH217659 5.085 5.721 7.651 0.8809 0.2327 -0.3500 511SOL H117660 5.162 5.693 7.700 0.0380 0.3460 1.1167 511SOL H217661 5.050 5.794 7.702 -1.1856 -0.9508 0.0255 512SOL OH217662 3.953 3.609 0.517 0.3969 0.0925 0.3274 512SOL H117663 3.967 3.554 0.594 -0.8954 1.3336 1.5203 512SOL H217664 4.005 3.688 0.534 0.5601 0.1401 -0.3614 513SOL OH217665 5.618 0.287 1.839 -0.2200 -0.2887 -0.2260 513SOL H117666 5.635 0.362 1.896 -0.2921 -0.7725 0.4266 513SOL H217667 5.673 0.303 1.762 -0.1786 0.3975 -0.0589 514SOL OH217668 2.426 4.314 1.091 -0.8594 0.2289 -0.4482 514SOL H117669 2.423 4.388 1.152 0.0254 -0.6754 0.7598 514SOL H217670 2.421 4.354 1.004 -0.6246 1.6807 0.1691 515SOL OH217671 2.874 3.036 1.283 -0.5121 0.0658 -0.9423 515SOL H117672 2.805 3.100 1.302 -0.7697 -0.9366 1.9274 515SOL H217673 2.838 2.952 1.312 2.0146 -0.4256 1.1776 516SOL OH217674 2.211 2.258 0.631 -0.4299 0.2712 0.7670 516SOL H117675 2.141 2.260 0.696 -0.1398 0.0534 1.0859 516SOL H217676 2.171 2.295 0.552 -1.5617 -1.8291 0.2872 517SOL OH217677 5.369 2.064 6.868 0.6637 -0.5630 0.4571 517SOL H117678 5.310 2.125 6.823 2.9353 -0.8019 -3.2666 517SOL H217679 5.323 1.980 6.865 0.7796 -0.6124 -1.7555 518SOL OH217680 4.063 0.071 0.661 0.1778 0.0513 0.4806 518SOL H117681 4.110 0.153 0.649 -0.8600 0.6923 0.6648 518SOL H217682 3.981 0.082 0.614 0.6851 -1.5099 -0.8639 519SOL OH217683 2.279 1.506 0.819 0.4299 -0.5141 -0.0292 519SOL H117684 2.304 1.542 0.733 0.6427 -1.9104 -0.5706 519SOL H217685 2.352 1.529 0.876 0.0655 0.8605 -0.0754 520SOL OH217686 0.350 5.935 0.068 -0.9923 -0.5301 -0.1228 520SOL H117687 0.431 5.895 0.100 -1.4069 -1.5394 -0.3056 520SOL H217688 0.324 5.996 0.137 1.1995 1.6606 -1.0856 521SOL OH217689 0.703 5.930 6.977 -0.1285 0.6489 -0.2492 521SOL H117690 0.696 6.018 6.942 0.9468 0.9694 0.3220 521SOL H217691 0.796 5.910 6.976 -0.3941 -0.6783 -0.8253 522SOL OH217692 4.568 0.318 1.034 -0.4527 0.2808 0.1788 522SOL H117693 4.631 0.248 1.047 1.1328 1.5027 -0.5750 522SOL H217694 4.562 0.362 1.119 -2.3190 -1.3570 0.9892 523SOL OH217695 5.606 1.909 7.011 -0.3538 0.1279 0.3405 523SOL H117696 5.657 1.988 6.994 0.3131 0.2060 2.4299 523SOL H217697 5.517 1.933 6.986 -0.0522 1.3290 0.3306 524SOL OH217698 2.793 5.941 6.609 0.5298 -0.2171 0.0645 524SOL H117699 2.794 5.891 6.690 0.4625 1.8956 1.4516 524SOL H217700 2.701 5.945 6.584 0.6738 -1.8830 -0.8158 525SOL OH217701 2.449 2.344 7.053 -0.0078 -0.3756 0.3403 525SOL H117702 2.422 2.252 7.046 3.9496 -1.6305 -2.0361 525SOL H217703 2.418 2.384 6.972 -2.3341 0.7317 1.6759 526SOL OH217704 0.306 2.034 0.699 0.4854 -0.0359 -0.5694 526SOL H117705 0.286 1.940 0.692 1.9090 -0.3434 -0.8430 526SOL H217706 0.320 2.062 0.608 -0.6108 0.6107 -0.5496 527SOL OH217707 1.018 0.927 6.571 -0.0672 0.1608 0.0859 527SOL H117708 0.934 0.892 6.543 0.8485 -1.3784 -0.8995 527SOL H217709 1.003 1.021 6.583 -2.4270 -0.3804 2.0710 528SOL OH217710 1.456 0.524 6.160 0.4830 -0.0659 -0.1206 528SOL H117711 1.411 0.449 6.121 1.6717 -0.7509 -0.2150 528SOL H217712 1.547 0.515 6.131 0.3021 2.5793 -1.9069 529SOL OH217713 5.710 0.186 7.619 0.6777 -0.4546 -0.4118 529SOL H117714 5.785 0.143 7.659 0.6448 -0.5112 -0.4109 529SOL H217715 5.749 0.250 7.559 0.7286 -0.6708 -0.6122 530SOL OH217716 3.618 0.314 2.126 -0.8743 -0.4987 0.1596 530SOL H117717 3.543 0.366 2.157 -0.9245 -0.8273 0.6031 530SOL H217718 3.680 0.379 2.095 -1.3061 -0.2161 -0.1325 531SOL OH217719 5.418 3.052 1.706 -0.2430 -0.1764 -0.0200 531SOL H117720 5.323 3.063 1.705 -0.1596 0.9441 1.3234 531SOL H217721 5.443 3.069 1.797 1.2055 -0.9094 -0.2463 532SOL OH217722 1.079 1.711 1.836 0.2321 -0.4819 -0.0155 532SOL H117723 0.991 1.748 1.843 0.6327 0.5823 -0.3617 532SOL H217724 1.091 1.661 1.917 0.3148 1.5759 1.2978 533SOL OH217725 2.299 0.343 8.285 0.2026 0.1516 0.6429 533SOL H117726 2.305 0.258 8.241 -0.6523 0.0522 0.7015 533SOL H217727 2.378 0.348 8.338 1.0766 0.1056 -0.6057 534SOL OH217728 5.951 2.694 1.175 -0.5377 -0.1850 0.0833 534SOL H117729 5.942 2.603 1.146 -0.6359 -0.6118 1.3726 534SOL H217730 5.879 2.706 1.237 0.7212 0.0899 1.5452 535SOL OH217731 0.236 2.349 2.136 -0.0712 -0.3784 -0.1427 535SOL H117732 0.211 2.356 2.044 -0.4593 -0.1407 -0.0206 535SOL H217733 0.189 2.271 2.168 0.0287 -0.4355 -0.1328 536SOL OH217734 2.798 5.739 1.736 -0.1928 0.2368 -0.0445 536SOL H117735 2.752 5.799 1.795 -0.3596 -0.7745 0.8954 536SOL H217736 2.861 5.793 1.691 -1.3518 1.4036 -0.3276 537SOL OH217737 4.506 5.844 6.345 0.2459 0.7046 -0.4024 537SOL H117738 4.455 5.806 6.274 -0.3677 -0.6549 0.7114 537SOL H217739 4.573 5.779 6.365 0.4082 1.0566 0.2575 538SOL OH217740 3.057 0.525 1.253 -0.3164 1.0362 0.2121 538SOL H117741 3.048 0.598 1.314 -1.3810 2.2555 -1.3243 538SOL H217742 3.140 0.542 1.208 -1.1375 2.0292 -0.9957 539SOL OH217743 3.031 1.399 1.090 -0.0476 0.1392 -0.3944 539SOL H117744 3.098 1.335 1.116 -0.0608 -0.0020 -0.6966 539SOL H217745 3.035 1.399 0.994 0.6145 1.2937 -0.3858 540SOL OH217746 2.460 4.787 0.857 -0.1667 0.2534 0.2121 540SOL H117747 2.468 4.864 0.915 -1.2083 -0.7050 1.7132 540SOL H217748 2.474 4.712 0.915 0.8814 -0.7331 -1.2358 541SOL OH217749 1.494 5.814 1.321 -1.0203 0.2299 -0.5817 541SOL H117750 1.418 5.811 1.380 -0.5353 0.4098 0.0560 541SOL H217751 1.568 5.837 1.377 -0.6447 0.9779 -1.3554 542SOL OH217752 0.894 4.450 7.089 0.0136 -0.2417 0.4581 542SOL H117753 0.852 4.535 7.079 -1.5978 -1.0009 0.3731 542SOL H217754 0.983 4.470 7.117 -0.8071 1.4362 2.0796 543SOL OH217755 5.866 0.200 7.002 -0.5110 0.3069 0.3498 543SOL H117756 5.816 0.167 7.076 0.1258 -0.9518 0.2361 543SOL H217757 5.877 0.124 6.945 2.3202 0.2838 0.8040 544SOL OH217758 3.495 3.509 7.428 -0.0719 0.0451 0.1773 544SOL H117759 3.589 3.525 7.433 -0.1085 0.2362 0.2701 544SOL H217760 3.487 3.424 7.384 0.1290 0.2758 -0.3135 545SOL OH217761 2.019 4.554 1.284 0.1737 -0.3908 0.2304 545SOL H117762 1.976 4.491 1.226 0.0048 -0.8906 0.8844 545SOL H217763 2.065 4.613 1.225 0.6443 -1.3554 -0.3860 546SOL OH217764 3.924 4.711 1.056 0.1012 0.1199 0.4732 546SOL H117765 3.892 4.797 1.082 -0.8918 0.1836 -0.8681 546SOL H217766 3.907 4.706 0.962 0.0928 -1.5623 0.5286 547SOL OH217767 4.571 1.100 0.880 0.0977 -0.7054 -0.1403 547SOL H117768 4.665 1.081 0.893 0.8741 2.0849 -1.0774 547SOL H217769 4.546 1.044 0.806 1.0623 -1.3139 -0.0356 548SOL OH217770 0.206 1.734 1.283 -0.4140 0.2092 -0.5433 548SOL H117771 0.287 1.776 1.252 -1.1388 2.0033 -0.1392 548SOL H217772 0.236 1.653 1.325 1.4562 1.8446 1.5351 549SOL OH217773 5.065 3.725 7.502 -0.0556 0.0426 0.2586 549SOL H117774 5.122 3.723 7.578 1.1079 0.4423 -0.5665 549SOL H217775 5.108 3.785 7.441 -0.6093 -0.7560 -0.9774 550SOL OH217776 0.786 1.491 7.860 -0.0005 0.2877 0.0540 550SOL H117777 0.792 1.447 7.775 -0.9679 0.4839 -0.1296 550SOL H217778 0.733 1.569 7.844 0.1464 0.5462 0.7584 551SOL OH217779 5.747 2.033 6.646 -0.0536 0.2417 -0.2421 551SOL H117780 5.818 1.994 6.697 -0.4830 -3.0505 -1.8410 551SOL H217781 5.789 2.065 6.566 -0.0117 0.9108 0.0459 552SOL OH217782 3.418 3.636 1.531 0.3777 0.1247 0.5333 552SOL H117783 3.365 3.582 1.473 0.4893 1.5873 -1.0109 552SOL H217784 3.384 3.617 1.619 -1.4449 -0.3670 -0.2239 553SOL OH217785 0.332 4.248 7.003 -0.3496 -0.1943 -0.1533 553SOL H117786 0.350 4.269 6.911 -0.7903 -1.7750 -0.6330 553SOL H217787 0.259 4.186 6.999 0.7187 -1.6014 1.1501 554SOL OH217788 1.326 3.656 1.163 0.2148 -0.0544 -0.0340 554SOL H117789 1.240 3.630 1.132 1.4400 -0.3863 -3.6430 554SOL H217790 1.336 3.747 1.135 0.9316 0.0805 0.6089 555SOL OH217791 5.014 5.715 0.326 -0.4734 0.0677 0.1375 555SOL H117792 4.941 5.714 0.264 -0.1006 -0.9283 -0.3031 555SOL H217793 4.973 5.737 0.410 -1.1225 0.5016 -0.2818 556SOL OH217794 4.276 3.852 1.050 0.0974 0.1976 -0.1211 556SOL H117795 4.341 3.872 0.983 0.3862 -1.1968 -0.2928 556SOL H217796 4.324 3.803 1.117 -0.2787 1.2106 0.9112 557SOL OH217797 5.311 3.814 1.751 -0.4733 -0.2676 0.1569 557SOL H117798 5.405 3.804 1.734 -0.4015 -0.1180 0.4680 557SOL H217799 5.270 3.742 1.703 -0.0863 -1.1927 1.1913 558SOL OH217800 3.513 0.082 1.999 -0.1421 0.1065 -0.3375 558SOL H117801 3.514 0.178 1.996 0.6168 0.0979 -0.7639 558SOL H217802 3.599 0.059 2.034 -0.4921 -0.4153 0.1916 559SOL OH217803 5.579 5.812 0.880 -0.1840 0.4330 1.2588 559SOL H117804 5.582 5.853 0.793 1.0037 -1.2323 0.4672 559SOL H217805 5.540 5.726 0.865 -1.5301 0.7365 2.6926 560SOL OH217806 4.318 3.350 7.463 -0.4339 0.2714 -0.6804 560SOL H117807 4.309 3.434 7.420 1.1437 0.4332 -0.7761 560SOL H217808 4.327 3.371 7.556 0.4834 0.2700 -0.7583 561SOL OH217809 0.894 4.719 7.773 0.2874 -0.1878 0.1746 561SOL H117810 0.810 4.673 7.771 -0.1595 0.5637 0.7820 561SOL H217811 0.935 4.699 7.689 0.1592 -1.7582 0.4604 562SOL OH217812 5.932 5.668 1.696 0.3347 0.2622 0.6518 562SOL H117813 5.900 5.648 1.783 -0.1870 -0.6684 0.2563 562SOL H217814 6.020 5.629 1.693 0.0518 -0.3793 0.5133 563SOL OH217815 3.963 3.398 6.734 0.1292 0.4851 0.0905 563SOL H117816 4.034 3.445 6.779 0.0284 0.2056 0.5567 563SOL H217817 4.007 3.344 6.669 0.3805 0.0385 0.6252 564SOL OH217818 2.521 1.618 1.027 0.4318 0.5546 -0.4245 564SOL H117819 2.551 1.527 1.029 -1.9522 -0.2874 1.5729 564SOL H217820 2.594 1.668 1.064 0.8003 -0.9219 0.9394 565SOL OH217821 1.318 1.908 1.000 0.0010 -0.3986 -0.2195 565SOL H117822 1.315 1.982 1.060 -0.4229 -1.2392 0.8164 565SOL H217823 1.391 1.928 0.942 0.2595 0.5531 0.4114 566SOL OH217824 0.747 2.935 7.623 0.6697 -0.0114 0.1127 566SOL H117825 0.663 2.891 7.632 0.9956 -0.8772 -0.9043 566SOL H217826 0.758 2.982 7.706 -0.2263 -0.9041 0.7695 567SOL OH217827 4.607 2.655 1.229 -0.2633 -0.0709 0.2499 567SOL H117828 4.564 2.656 1.314 1.7244 2.0505 1.3322 567SOL H217829 4.667 2.581 1.233 -0.1137 0.0726 0.7444 568SOL OH217830 1.672 1.387 1.539 0.0639 -0.2600 0.0303 568SOL H117831 1.719 1.406 1.620 -0.9268 -2.0137 1.0743 568SOL H217832 1.636 1.300 1.552 0.3009 -0.8074 -2.5367 569SOL OH217833 5.091 0.560 2.886 -0.2753 0.3861 -0.1321 569SOL H117834 5.169 0.581 2.936 0.5012 0.5531 -1.3777 569SOL H217835 5.103 0.469 2.858 -1.0985 0.0133 0.6782 570SOL OH217836 5.631 3.669 7.384 -0.0215 0.1233 -0.0513 570SOL H117837 5.538 3.673 7.361 -0.5424 0.0137 1.8924 570SOL H217838 5.673 3.728 7.321 -1.6548 1.5901 0.1479 571SOL OH217839 3.815 0.597 7.074 0.1128 -0.2832 0.0007 571SOL H117840 3.867 0.528 7.033 -0.9470 -0.8760 -0.4144 571SOL H217841 3.877 0.649 7.123 0.9800 -1.3954 0.1156 572SOL OH217842 3.244 2.045 1.105 -0.3981 0.1030 -0.2642 572SOL H117843 3.279 1.964 1.070 0.1220 0.7522 -1.2813 572SOL H217844 3.319 2.104 1.111 -1.0270 1.0074 -1.0130 573SOL OH217845 0.562 2.161 8.186 -0.3501 -0.3359 0.3451 573SOL H117846 0.602 2.217 8.118 0.3546 -1.5363 -0.2620 573SOL H217847 0.625 2.091 8.200 -1.6555 -1.5657 0.3395 574SOL OH217848 2.615 4.348 1.449 0.2171 0.1117 -0.1370 574SOL H117849 2.533 4.313 1.483 0.3863 -0.5223 -0.3650 574SOL H217850 2.663 4.271 1.417 1.6272 0.2586 1.4868 575SOL OH217851 3.044 3.643 8.156 0.4073 0.0375 -0.7703 575SOL H117852 3.138 3.624 8.154 0.3906 -0.0238 -1.0382 575SOL H217853 3.035 3.710 8.224 0.4698 -0.8854 0.1716 576SOL OH217854 4.021 4.688 6.695 0.0007 -0.4683 -0.0394 576SOL H117855 4.051 4.608 6.651 -2.1317 -0.6523 -1.2933 576SOL H217856 4.002 4.748 6.623 -0.5234 0.3909 0.7984 577SOL OH217857 4.909 0.746 2.862 0.3631 0.1560 -0.4711 577SOL H117858 4.832 0.704 2.900 1.0818 -0.4644 0.3284 577SOL H217859 4.975 0.677 2.858 0.3293 0.1710 -2.9143 578SOL OH217860 0.305 5.310 7.593 -0.3312 -0.3386 -0.3848 578SOL H117861 0.297 5.385 7.652 1.4638 -0.5894 0.2362 578SOL H217862 0.399 5.293 7.589 -0.4178 -0.5944 -3.0263 579SOL OH217863 5.178 2.937 1.921 0.0127 0.0299 -0.4144 579SOL H117864 5.256 2.888 1.895 -1.1717 -0.8980 -2.4289 579SOL H217865 5.111 2.870 1.936 -0.4360 0.8047 1.3316 580SOL OH217866 4.974 0.007 2.524 0.1415 0.6217 -0.5846 580SOL H117867 5.058 0.028 2.483 -0.0721 2.1125 -0.3095 580SOL H217868 4.912 0.069 2.484 -0.2489 1.5243 1.3114 581SOL OH217869 4.937 3.719 0.039 0.1432 -0.2091 -0.0544 581SOL H117870 4.916 3.665 0.115 4.1300 -1.0867 0.6798 581SOL H217871 4.914 3.664 -0.036 1.7533 -2.0037 0.6617 582SOL OH217872 1.792 2.956 2.994 -0.0459 0.6294 -0.2160 582SOL H117873 1.863 3.016 2.973 -0.0976 0.6445 -0.3456 582SOL H217874 1.826 2.869 2.971 0.8617 0.3359 1.9908 583SOL OH217875 1.725 5.699 6.835 0.1385 0.1352 0.1675 583SOL H117876 1.735 5.605 6.816 0.2649 -0.2086 1.7582 583SOL H217877 1.797 5.741 6.788 -0.5449 -0.4303 -1.4207 584SOL OH217878 3.270 2.444 1.211 -0.0540 -0.1771 0.5496 584SOL H117879 3.262 2.531 1.171 0.9165 -0.0247 0.6625 584SOL H217880 3.258 2.461 1.305 -3.1405 -0.6401 0.3611 585SOL OH217881 0.032 0.152 6.315 0.5015 -0.4278 -0.7022 585SOL H117882 0.015 0.116 6.402 -0.6116 -0.6390 -0.9957 585SOL H217883 -0.032 0.111 6.258 1.4958 -0.6286 -1.7281 586SOL OH217884 2.553 3.765 0.321 -0.0958 0.1067 0.4663 586SOL H117885 2.509 3.684 0.347 0.9005 -0.6577 -0.1073 586SOL H217886 2.608 3.788 0.396 -1.0895 0.8027 1.0011 587SOL OH217887 5.546 5.465 1.204 0.0648 0.3500 -0.3085 587SOL H117888 5.549 5.546 1.154 -0.0679 1.0362 0.7672 587SOL H217889 5.465 5.471 1.254 0.2998 -0.2187 0.1498 588SOL OH217890 3.371 3.212 0.833 -0.1687 -0.1115 0.4085 588SOL H117891 3.425 3.284 0.801 -1.0575 0.3556 -0.0788 588SOL H217892 3.378 3.218 0.928 1.8577 -1.0245 0.3522 589SOL OH217893 5.854 2.189 1.437 0.3829 -0.1413 0.0523 589SOL H117894 5.916 2.173 1.366 -2.3762 0.2530 -2.6396 589SOL H217895 5.884 2.271 1.477 1.0892 0.5299 -1.7634 590SOL OH217896 5.002 3.643 6.699 -0.3906 -0.2179 -0.0699 590SOL H117897 4.994 3.657 6.793 0.8797 0.2170 -0.0062 590SOL H217898 5.040 3.725 6.666 -0.2396 -0.5988 -0.8607 591SOL OH217899 4.988 5.396 8.300 -0.1189 -0.0972 0.0426 591SOL H117900 4.989 5.426 8.392 -0.1821 -0.6812 0.2363 591SOL H217901 4.931 5.459 8.255 -0.5409 -0.1319 0.5188 592SOL OH217902 2.033 2.427 7.914 -0.0619 0.3404 0.0953 592SOL H117903 2.057 2.368 7.986 -0.3976 -0.7610 -0.6781 592SOL H217904 2.116 2.463 7.883 0.1891 -0.0875 0.2673 593SOL OH217905 5.881 0.134 8.252 0.1178 0.5207 0.1728 593SOL H117906 5.968 0.112 8.219 -0.3036 0.7721 -1.1749 593SOL H217907 5.831 0.053 8.244 0.4309 0.1495 1.7282 594SOL OH217908 0.752 5.113 7.977 0.0193 0.4609 -0.9365 594SOL H117909 0.725 5.187 7.922 1.7019 0.8994 -1.2367 594SOL H217910 0.768 5.152 8.063 -2.1514 -0.1461 -0.1939 595SOL OH217911 2.207 2.447 2.031 0.3771 -0.0239 -0.2675 595SOL H117912 2.272 2.487 1.973 -0.4612 0.4031 -0.9477 595SOL H217913 2.124 2.486 2.003 -0.3135 -1.3340 -0.1285 596SOL OH217914 5.730 5.433 0.892 -0.1016 -0.4700 0.3186 596SOL H117915 5.680 5.352 0.901 1.1891 -1.0736 2.9550 596SOL H217916 5.811 5.406 0.847 -0.8545 -0.0290 -1.3899 597SOL OH217917 3.354 1.128 7.930 -0.0584 -0.3099 -0.2953 597SOL H117918 3.381 1.036 7.928 -1.0637 -0.6438 0.6357 597SOL H217919 3.259 1.125 7.941 0.1336 0.8002 2.7788 598SOL OH217920 0.205 3.742 1.748 -0.1743 0.2284 -0.1653 598SOL H117921 0.264 3.704 1.684 -0.2764 -1.7204 0.8081 598SOL H217922 0.182 3.828 1.713 -0.4598 -0.8602 -2.8489 599SOL OH217923 4.809 4.146 7.707 0.1988 0.6775 0.3779 599SOL H117924 4.890 4.173 7.751 0.0474 -0.3146 1.2978 599SOL H217925 4.796 4.055 7.734 -1.1610 0.7852 0.1483 600SOL OH217926 0.734 4.427 7.756 0.4717 0.5373 0.1631 600SOL H117927 0.672 4.488 7.716 -0.8728 -0.6436 0.3885 600SOL H217928 0.738 4.453 7.848 -1.2578 -0.5834 0.5987 601SOL OH217929 6.036 -0.009 0.929 0.3266 0.7798 0.3582 601SOL H117930 6.037 0.065 0.990 0.3491 2.7313 -1.8403 601SOL H217931 6.122 -0.005 0.886 1.1545 -1.8435 1.5594 602SOL OH217932 4.705 0.764 1.288 -0.0918 -0.3302 -0.3903 602SOL H117933 4.685 0.690 1.230 -1.4267 0.8673 -1.5528 602SOL H217934 4.628 0.770 1.345 -1.2704 1.7161 -2.0613 603SOL OH217935 2.525 5.931 8.045 -0.1133 -0.0503 0.0377 603SOL H117936 2.602 5.876 8.059 0.4330 0.5263 -0.5898 603SOL H217937 2.535 5.963 7.955 -1.0048 0.1608 0.0062 604SOL OH217938 1.574 1.769 2.336 0.2089 -0.3666 -0.3093 604SOL H117939 1.609 1.695 2.386 -0.7168 0.2990 1.4227 604SOL H217940 1.651 1.822 2.315 0.8695 -1.7409 -1.5005 605SOL OH217941 3.029 1.859 2.381 -0.0169 -0.0914 0.2472 605SOL H117942 2.991 1.772 2.396 -1.6121 0.4321 -0.5569 605SOL H217943 3.119 1.852 2.413 0.4820 -2.5752 -1.4268 606SOL OH217944 5.673 4.651 6.502 -0.4120 -0.1459 -0.1562 606SOL H117945 5.717 4.635 6.586 0.9767 2.5097 -0.2694 606SOL H217946 5.582 4.626 6.518 -0.1110 -0.0335 2.0725 607SOL OH217947 0.700 2.779 1.112 -0.1443 0.1517 0.0640 607SOL H117948 0.640 2.718 1.070 -1.4218 -0.3541 2.4233 607SOL H217949 0.658 2.864 1.103 0.3758 0.3009 -1.0251 608SOL OH217950 1.698 2.950 0.226 0.1733 0.1344 -0.7871 608SOL H117951 1.786 2.973 0.255 0.3781 -0.3214 -1.0445 608SOL H217952 1.694 2.983 0.136 -0.5699 1.8392 -0.1850 609SOL OH217953 4.449 2.412 8.013 -0.4719 -0.1351 0.2742 609SOL H117954 4.377 2.457 8.057 -0.5156 -0.9143 1.0270 609SOL H217955 4.457 2.328 8.060 2.1123 0.6549 1.4271 610SOL OH217956 4.547 1.649 1.620 0.0578 -0.1403 -0.3033 610SOL H117957 4.491 1.727 1.618 -1.1427 -0.9753 -0.6231 610SOL H217958 4.633 1.682 1.645 -0.4416 1.2732 -0.3414 611SOL OH217959 5.965 0.411 0.646 0.2659 0.2939 0.0527 611SOL H117960 6.033 0.352 0.614 1.4386 1.2437 0.7234 611SOL H217961 6.000 0.445 0.729 -0.4986 1.7140 -0.1758 612SOL OH217962 3.539 5.945 7.728 -0.7324 -0.4467 -0.0175 612SOL H117963 3.530 5.908 7.640 -1.6831 -0.3261 0.0114 612SOL H217964 3.551 5.870 7.785 -1.6658 -0.6574 -0.0787 613SOL OH217965 4.410 0.252 7.158 -0.0081 0.1593 0.4332 613SOL H117966 4.315 0.241 7.159 0.0193 -0.1764 -0.1058 613SOL H217967 4.435 0.237 7.066 0.8483 -2.4140 0.9957 614SOL OH217968 5.597 5.824 6.999 0.1073 -0.4997 0.7341 614SOL H117969 5.519 5.875 6.980 0.5115 -0.9507 -2.7358 614SOL H217970 5.572 5.769 7.074 -2.1776 0.7924 1.0000 615SOL OH217971 1.942 4.591 7.688 -0.0406 0.7426 0.3050 615SOL H117972 1.850 4.609 7.708 -0.9797 -2.8589 -0.0330 615SOL H217973 1.983 4.575 7.773 -0.0110 1.1860 0.3757 616SOL OH217974 5.201 4.257 1.608 -0.2780 0.6319 0.5085 616SOL H117975 5.294 4.237 1.602 -0.6292 -0.6876 -1.8025 616SOL H217976 5.159 4.173 1.629 -0.9860 1.2073 1.5231 617SOL OH217977 5.432 1.585 6.975 -0.2108 0.1290 -0.1160 617SOL H117978 5.352 1.576 6.923 -0.3044 -1.5249 0.2531 617SOL H217979 5.502 1.562 6.915 -0.0225 1.2831 -0.3548 618SOL OH217980 0.784 0.767 0.561 -0.0034 0.1252 0.2535 618SOL H117981 0.830 0.781 0.478 -0.8670 0.3912 -0.1879 618SOL H217982 0.852 0.735 0.620 0.3992 -1.2390 -0.8791 619SOL OH217983 1.727 1.587 8.187 -0.0263 -0.0626 0.3153 619SOL H117984 1.822 1.591 8.186 -0.0395 0.1702 0.0550 619SOL H217985 1.699 1.677 8.203 -0.2266 0.0973 -0.8861 620SOL OH217986 4.683 3.953 2.914 0.2286 0.4694 -0.0100 620SOL H117987 4.614 3.891 2.940 0.8777 -0.1738 0.2176 620SOL H217988 4.637 4.037 2.905 -0.3394 0.3661 1.5314 621SOL OH217989 3.143 0.598 2.281 -0.0636 1.0934 -0.2204 621SOL H117990 3.115 0.667 2.341 1.0387 -0.5767 2.3890 621SOL H217991 3.199 0.541 2.334 0.9680 -0.5446 -2.8626 622SOL OH217992 4.714 0.370 1.303 -0.1593 0.0691 0.2187 622SOL H117993 4.779 0.332 1.362 -0.1141 -0.6449 -0.2650 622SOL H217994 4.765 0.416 1.237 -0.2252 1.2529 0.9778 623SOL OH217995 3.417 4.270 0.730 -0.0323 -0.0179 0.5298 623SOL H117996 3.479 4.300 0.663 -0.3066 0.0616 0.3121 623SOL H217997 3.413 4.175 0.719 -1.2413 0.1377 -0.5820 624SOL OH217998 4.939 1.960 1.601 -0.0645 0.3720 -0.3534 624SOL H117999 4.995 1.967 1.678 -0.1388 1.2534 -0.3775 624SOL H218000 4.999 1.964 1.527 -0.1859 1.9868 -0.4007 625SOL OH218001 1.293 5.813 1.551 -0.0395 0.0556 -0.0721 625SOL H118002 1.223 5.786 1.611 0.4031 0.5142 0.6671 625SOL H218003 1.374 5.788 1.596 0.2764 -0.8694 -1.1135 626SOL OH218004 3.295 1.311 7.287 0.1189 0.7423 0.3096 626SOL H118005 3.363 1.322 7.355 1.1600 -1.5457 -0.2752 626SOL H218006 3.344 1.314 7.205 -0.6554 0.1562 -0.1745 627SOL OH218007 2.290 1.543 0.222 -0.2195 -0.4615 0.6839 627SOL H118008 2.311 1.450 0.236 0.2291 -0.7244 -1.3136 627SOL H218009 2.373 1.588 0.236 -0.0351 -0.5858 0.0349 628SOL OH218010 0.743 3.713 7.723 0.1448 0.5736 -0.4680 628SOL H118011 0.721 3.620 7.726 1.8864 0.1310 0.9889 628SOL H218012 0.689 3.753 7.791 -1.2133 0.8109 -1.6542 629SOL OH218013 0.112 4.125 0.911 0.5033 0.3435 -0.3181 629SOL H118014 0.081 4.037 0.890 -0.0374 0.8827 -1.9189 629SOL H218015 0.036 4.169 0.949 0.4422 0.4789 -0.5993 630SOL OH218016 1.996 0.867 0.113 -0.0762 0.2402 -0.1579 630SOL H118017 1.945 0.948 0.119 -0.5414 0.1123 -1.7663 630SOL H218018 1.931 0.798 0.099 0.4462 -0.0808 -1.1288 631SOL OH218019 2.690 3.072 8.274 -0.1624 -0.3107 -0.0326 631SOL H118020 2.727 2.987 8.252 -1.3285 -0.7781 -0.2831 631SOL H218021 2.598 3.053 8.296 -0.1552 0.7339 0.9841 632SOL OH218022 2.589 2.163 0.103 -0.3588 0.0274 0.8365 632SOL H118023 2.647 2.185 0.176 -0.2294 1.0712 0.4400 632SOL H218024 2.585 2.243 0.051 -2.1387 -0.0464 0.8307 633SOL OH218025 0.051 5.587 0.159 -0.0208 -0.2520 0.1173 633SOL H118026 -0.028 5.532 0.159 -0.0821 -0.2321 -1.9595 633SOL H218027 0.040 5.643 0.236 -1.4404 -1.0775 0.5637 634SOL OH218028 3.415 5.398 1.070 -0.1166 0.0070 0.1025 634SOL H118029 3.492 5.371 1.021 0.8215 0.1808 1.4381 634SOL H218030 3.352 5.327 1.057 0.7362 -0.7454 0.0586 635SOL OH218031 1.046 4.166 1.246 -0.3744 -0.0859 -0.3121 635SOL H118032 1.136 4.162 1.278 -0.9172 0.5813 1.3909 635SOL H218033 1.054 4.206 1.159 0.8253 1.8001 0.6073 636SOL OH218034 1.338 1.096 6.525 0.5801 0.7560 0.1255 636SOL H118035 1.312 1.070 6.436 -0.1036 -1.1204 0.8049 636SOL H218036 1.302 1.184 6.536 -1.3034 0.1622 -0.7247 637SOL OH218037 0.514 0.114 2.450 0.4405 -0.6575 0.0571 637SOL H118038 0.457 0.091 2.376 -1.2115 -0.4983 1.2255 637SOL H218039 0.523 0.032 2.499 -1.3626 -0.0299 1.5346 638SOL OH218040 5.389 0.544 1.030 -0.1805 0.2877 -0.3044 638SOL H118041 5.452 0.528 0.960 -0.2284 -1.6959 0.0629 638SOL H218042 5.373 0.458 1.069 -0.2118 1.3016 2.1199 639SOL OH218043 5.714 5.452 7.179 -0.0071 -0.1022 -0.1182 639SOL H118044 5.638 5.427 7.126 1.0502 -1.9530 -0.8255 639SOL H218045 5.699 5.410 7.264 -0.2682 0.4155 0.0971 640SOL OH218046 4.887 4.601 7.186 -0.3015 -0.0771 -0.2994 640SOL H118047 4.810 4.643 7.148 -0.3556 -0.0746 -0.1868 640SOL H218048 4.852 4.522 7.228 -0.7137 1.3421 2.2816 641SOL OH218049 3.842 4.890 1.262 0.0150 0.3108 0.5499 641SOL H118050 3.823 4.968 1.209 -0.7031 0.9036 1.6371 641SOL H218051 3.932 4.902 1.291 0.7590 -0.4865 -1.2620 642SOL OH218052 2.093 5.832 7.398 0.0748 -0.0737 0.3683 642SOL H118053 2.087 5.786 7.481 0.7598 0.0561 0.4922 642SOL H218054 2.036 5.783 7.339 2.2904 -2.3122 -0.0705 643SOL OH218055 2.764 5.180 1.299 0.0828 0.1796 0.2374 643SOL H118056 2.733 5.237 1.229 0.0727 -1.0388 -0.7671 643SOL H218057 2.820 5.116 1.256 -1.9259 -2.1635 0.9024 644SOL OH218058 0.001 1.698 8.149 0.2009 -1.0890 -0.0827 644SOL H118059 0.075 1.697 8.088 0.3731 -0.6099 0.1137 644SOL H218060 -0.007 1.607 8.178 -0.4642 -1.5057 -1.5110 645SOL OH218061 3.057 5.571 5.996 -0.1186 0.3789 0.2642 645SOL H118062 3.151 5.556 5.990 -0.0920 0.9760 -1.2231 645SOL H218063 3.024 5.495 6.044 1.1880 0.5299 1.4769 646SOL OH218064 2.914 1.765 7.197 -0.0987 0.0115 -0.0194 646SOL H118065 2.870 1.684 7.220 0.2139 -0.3564 -0.7010 646SOL H218066 2.847 1.817 7.152 -0.3128 0.1606 0.4624 647SOL OH218067 0.328 0.810 1.199 0.1228 0.1066 -0.9245 647SOL H118068 0.265 0.743 1.171 0.9559 -1.8719 1.5335 647SOL H218069 0.287 0.852 1.274 0.8782 0.2652 -0.5935 648SOL OH218070 3.689 2.577 2.163 0.5028 0.0627 -0.0438 648SOL H118071 3.666 2.538 2.247 -1.5399 2.2448 0.4944 648SOL H218072 3.758 2.520 2.128 2.8506 0.0848 3.9404 649SOL OH218073 2.158 1.267 7.046 -0.0130 0.3974 0.1652 649SOL H118074 2.139 1.262 6.952 1.0074 0.2831 -0.0477 649SOL H218075 2.241 1.315 7.051 0.4201 -0.4067 0.9407 650SOL OH218076 2.881 1.724 2.110 0.4371 0.0780 -0.4034 650SOL H118077 2.939 1.656 2.143 2.5637 1.3068 -1.3671 650SOL H218078 2.836 1.758 2.187 3.1105 0.9491 0.8901 651SOL OH218079 1.673 1.906 1.411 -0.0116 -0.2870 -0.4451 651SOL H118080 1.650 1.984 1.360 -1.0157 -0.7218 -0.7024 651SOL H218081 1.589 1.863 1.426 0.5189 -1.2616 -0.2201 652SOL OH218082 4.412 4.993 1.952 -0.6228 0.4567 0.2136 652SOL H118083 4.469 5.023 2.023 0.0511 0.8720 -0.4915 652SOL H218084 4.452 5.027 1.873 -1.1763 -0.2919 -0.4048 653SOL OH218085 5.569 1.221 8.033 -0.3973 -0.2079 -0.5196 653SOL H118086 5.634 1.168 8.079 -0.5741 0.5084 0.5963 653SOL H218087 5.621 1.292 7.994 -0.5904 1.0233 1.3429 654SOL OH218088 5.870 0.662 1.619 -0.1749 -0.4398 -0.1031 654SOL H118089 5.901 0.752 1.628 -0.4853 -0.2849 -0.5588 654SOL H218090 5.927 0.624 1.553 -0.3786 -0.4182 -0.2937 655SOL OH218091 0.654 5.470 -0.032 -0.6588 -0.2908 0.3604 655SOL H118092 0.703 5.537 0.016 -0.5104 -0.7176 0.8113 655SOL H218093 0.630 5.406 0.035 -1.4113 -0.3356 0.0580 656SOL OH218094 0.840 1.045 0.670 -0.2401 -0.1017 -0.0953 656SOL H118095 0.828 0.979 0.738 0.6088 0.4031 0.5671 656SOL H218096 0.802 1.006 0.591 -0.2971 -1.1233 0.4253 657SOL OH218097 5.476 0.380 0.292 0.1135 -0.4097 0.4849 657SOL H118098 5.465 0.293 0.330 -0.0195 -1.0645 -0.9861 657SOL H218099 5.566 0.381 0.258 -0.2498 -0.3967 -0.5036 658SOL OH218100 1.527 2.864 3.029 -0.9964 0.2964 0.3563 658SOL H118101 1.472 2.921 3.084 -0.7119 0.1825 0.7630 658SOL H218102 1.613 2.908 3.028 0.1170 -1.5936 3.1198 659SOL OH218103 5.382 1.464 7.948 -0.5864 -0.1656 -0.2812 659SOL H118104 5.381 1.464 8.044 0.5033 1.4827 -0.2281 659SOL H218105 5.428 1.545 7.924 0.7263 -1.3801 -2.1811 660SOL OH218106 0.838 0.230 7.772 -0.1622 -0.0708 -0.1164 660SOL H118107 0.802 0.215 7.684 -2.0575 -3.5018 1.0518 660SOL H218108 0.891 0.153 7.790 -1.2448 -0.3368 2.3413 661SOL OH218109 3.631 4.554 8.184 -0.7821 0.0385 -0.3573 661SOL H118110 3.537 4.572 8.181 -0.8351 -0.3617 -2.1361 661SOL H218111 3.640 4.471 8.137 0.2739 -0.9503 1.4501 662SOL OH218112 5.022 3.929 0.400 -0.1717 -0.1175 0.1765 662SOL H118113 4.992 3.859 0.458 -1.8966 -0.3278 -0.9269 662SOL H218114 5.058 3.884 0.324 1.0956 0.1877 0.5538 663SOL OH218115 1.220 5.880 1.904 -0.3428 0.2330 -0.1587 663SOL H118116 1.249 5.808 1.960 1.7129 -0.4305 -1.9138 663SOL H218117 1.140 5.848 1.862 -0.8174 -0.0135 0.8970 664SOL OH218118 5.262 4.677 2.075 -0.1022 0.2747 0.4142 664SOL H118119 5.314 4.696 1.997 0.1502 1.1069 0.7745 664SOL H218120 5.207 4.602 2.050 3.0848 -2.4483 0.8262 665SOL OH218121 0.383 3.779 8.322 0.2405 0.0003 -0.1835 665SOL H118122 0.411 3.689 8.337 -0.2326 -0.2992 -1.0596 665SOL H218123 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H118284 0.318 1.930 1.082 0.7041 -0.2558 -0.1733 719SOL H218285 0.226 2.029 1.015 -1.0632 0.7630 3.5386 720SOL OH218286 4.151 2.373 0.754 0.3763 0.4222 -0.0620 720SOL H118287 4.133 2.304 0.690 0.5002 -0.0635 0.4147 720SOL H218288 4.134 2.455 0.708 0.6942 0.0831 -0.7870 721SOL OH218289 2.764 5.125 1.549 0.1820 0.5417 -0.0357 721SOL H118290 2.756 5.133 1.453 -1.1750 0.5359 0.0635 721SOL H218291 2.811 5.042 1.562 -3.5469 -1.9447 -0.6714 722SOL OH218292 4.030 5.082 7.676 -0.4808 0.1899 0.2309 722SOL H118293 3.972 5.146 7.718 -1.4489 -0.9956 0.7677 722SOL H218294 4.010 5.090 7.583 -0.7652 0.5082 0.3173 723SOL OH218295 5.574 0.703 0.164 0.6767 0.1340 -0.5444 723SOL H118296 5.624 0.642 0.111 0.3583 -0.1167 -0.5593 723SOL H218297 5.486 0.666 0.167 0.9009 -0.3281 0.9224 724SOL OH218298 3.916 4.607 0.275 0.4549 0.1288 0.0819 724SOL H118299 3.979 4.643 0.212 0.0594 -1.3937 -1.2476 724SOL H218300 3.835 4.600 0.226 0.0426 -0.7826 0.8625 725SOL OH218301 2.892 4.712 7.147 -0.5870 -0.2631 0.4030 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731SOL H118320 1.551 1.805 8.296 -0.0591 0.6518 0.0278 731SOL H218321 1.562 1.901 8.179 0.2481 -0.2927 -0.7254 732SOL OH218322 4.017 2.915 0.282 -0.1662 0.4593 -0.1778 732SOL H118323 4.079 2.934 0.212 0.1875 -0.5535 -0.1618 732SOL H218324 4.045 2.829 0.316 -1.2562 0.2274 0.1731 733SOL OH218325 5.121 1.077 6.690 0.1653 -0.0701 0.0829 733SOL H118326 5.141 1.063 6.782 -1.1304 0.6263 0.4905 733SOL H218327 5.111 0.988 6.654 -0.6434 -0.3265 0.9217 734SOL OH218328 0.342 0.676 0.357 0.5128 -0.1204 0.2350 734SOL H118329 0.309 0.698 0.270 0.4345 -0.3300 0.2120 734SOL H218330 0.265 0.644 0.404 0.4955 0.2687 0.4714 735SOL OH218331 1.492 5.349 8.043 0.7330 0.5076 0.2164 735SOL H118332 1.563 5.286 8.055 0.7112 0.3718 -0.3119 735SOL H218333 1.426 5.301 7.992 0.3512 0.6939 0.5322 736SOL OH218334 0.179 4.536 6.739 -0.5867 0.1268 0.3432 736SOL H118335 0.169 4.558 6.646 1.1310 1.8059 0.5091 736SOL H218336 0.164 4.618 6.785 0.2413 -0.3195 1.4427 737SOL OH218337 5.973 2.691 6.738 0.0810 0.0692 0.1672 737SOL H118338 6.038 2.708 6.669 0.2862 -1.0540 0.0613 737SOL H218339 5.889 2.709 6.696 0.2876 1.0425 0.1489 738SOL OH218340 3.856 1.552 0.262 0.0533 -0.2438 -0.2955 738SOL H118341 3.783 1.518 0.313 0.2578 0.0844 0.2210 738SOL H218342 3.930 1.497 0.286 0.2591 0.2109 0.1238 739SOL OH218343 5.047 4.674 1.648 -0.4535 -0.4721 -0.2482 739SOL H118344 5.024 4.701 1.738 -1.1245 -0.5444 -0.3916 739SOL H218345 4.965 4.681 1.600 0.1916 0.9989 -1.2169 740SOL OH218346 0.110 5.688 8.261 -0.1760 -0.0786 0.0313 740SOL H118347 0.130 5.779 8.280 2.7167 -0.5398 -0.3606 740SOL H218348 0.100 5.647 8.347 -0.1843 0.3458 0.2323 741SOL OH218349 0.502 1.507 6.742 -0.0674 -0.0950 0.5573 741SOL H118350 0.487 1.538 6.652 0.0167 0.6093 0.7825 741SOL H218351 0.535 1.584 6.788 0.9298 -0.7390 0.9284 742SOL OH218352 2.543 2.772 0.858 0.4347 0.2610 0.1910 742SOL H118353 2.624 2.737 0.822 2.0445 3.6497 0.1019 742SOL H218354 2.491 2.796 0.782 0.6386 0.7064 0.1860 743SOL OH218355 4.413 5.865 8.200 0.2507 -0.0967 0.0563 743SOL H118356 4.362 5.784 8.209 -2.7771 1.5559 -0.7574 743SOL H218357 4.407 5.887 8.108 -0.4579 1.8697 0.5216 744SOL OH218358 3.839 3.265 0.858 -0.1326 0.2214 0.0781 744SOL H118359 3.931 3.264 0.883 -0.4523 0.2601 1.3452 744SOL H218360 3.837 3.224 0.772 0.9808 -0.5474 0.3894 745SOL OH218361 1.887 1.141 1.105 -0.5709 0.0576 0.2046 745SOL H118362 1.874 1.047 1.117 -3.2118 0.4209 0.8916 745SOL H218363 1.982 1.152 1.099 -0.1838 -2.6038 0.3298 746SOL OH218364 5.254 1.213 0.056 0.0807 0.1113 -0.0822 746SOL H118365 5.295 1.220 -0.030 1.4290 -3.0477 0.1692 746SOL H218366 5.161 1.204 0.038 0.2528 0.3164 -1.1468 747SOL OH218367 4.314 3.310 7.736 -0.8986 0.3630 0.2638 747SOL H118368 4.351 3.293 7.823 -1.8198 0.9832 0.7991 747SOL H218369 4.313 3.224 7.693 1.7120 0.4261 -0.0364 748SOL OH218370 1.424 3.908 0.729 -0.2325 -0.2942 -0.1075 748SOL H118371 1.472 3.829 0.754 2.1940 0.9341 -0.5327 748SOL H218372 1.472 3.979 0.770 -2.1679 1.0297 0.0013 749SOL OH218373 4.401 2.729 0.069 -0.1607 -0.2255 -0.0165 749SOL H118374 4.381 2.794 0.001 -0.4961 -1.1755 -0.8553 749SOL H218375 4.456 2.664 0.024 0.4351 -0.3612 0.8904 750SOL OH218376 2.318 3.076 2.101 0.2362 0.0611 0.1416 750SOL H118377 2.267 2.996 2.115 -0.1298 0.1885 -0.4464 750SOL H218378 2.391 3.049 2.046 0.2570 0.0834 0.1582 751SOL OH218379 5.094 3.671 7.952 -0.0302 0.0109 0.6504 751SOL H118380 5.176 3.689 7.998 1.2229 -2.5112 -0.3769 751SOL H218381 5.109 3.704 7.863 0.1412 -0.9270 0.3113 752SOL OH218382 5.279 0.775 0.412 -0.1447 -0.4842 -0.0221 752SOL H118383 5.354 0.717 0.404 -0.3982 -0.8439 0.1987 752SOL H218384 5.298 0.847 0.352 0.2283 -0.7317 -0.2037 753SOL OH218385 2.399 0.396 1.158 -0.4699 0.5495 0.1045 753SOL H118386 2.326 0.360 1.107 1.5973 -0.1456 -2.5980 753SOL H218387 2.433 0.468 1.105 1.5359 0.0637 0.6318 754SOL OH218388 4.914 2.838 1.369 -0.1856 0.5258 -0.0066 754SOL H118389 4.999 2.844 1.412 -1.1905 -0.1959 2.2708 754SOL H218390 4.858 2.900 1.417 -0.8361 1.4388 -1.8407 755SOL OH218391 5.100 2.282 8.249 -0.2700 0.1411 0.3930 755SOL H118392 5.154 2.215 8.206 -0.6497 0.0027 0.1207 755SOL H218393 5.105 2.358 8.192 -1.5032 -0.3352 -0.3970 756SOL OH218394 0.555 3.157 7.339 -0.2215 0.5107 -0.3588 756SOL H118395 0.462 3.134 7.330 -0.1760 0.8548 -1.9507 756SOL H218396 0.601 3.074 7.332 -0.3931 0.3305 0.4928 757SOL OH218397 3.292 4.396 7.360 -0.1177 -0.0000 0.2683 757SOL H118398 3.200 4.401 7.387 0.3050 -0.6023 1.9040 757SOL H218399 3.315 4.304 7.371 0.5680 0.0557 -0.6008 758SOL OH218400 2.822 5.628 1.095 -0.2049 -0.1464 -0.6352 758SOL H118401 2.798 5.623 1.002 0.4430 -0.8003 -0.7709 758SOL H218402 2.803 5.719 1.119 -1.4781 -0.2720 -1.0990 759SOL OH218403 5.184 0.104 7.581 0.2965 0.2301 0.3912 759SOL H118404 5.242 0.028 7.566 -0.5043 -0.6017 1.3997 759SOL H218405 5.244 0.175 7.605 0.8957 -0.7526 1.9343 760SOL OH218406 0.390 0.920 0.494 0.2781 0.0389 0.2159 760SOL H118407 0.315 0.910 0.553 -2.1426 0.6081 -2.5092 760SOL H218408 0.392 0.838 0.445 0.8151 0.4216 -0.4102 761SOL OH218409 5.734 1.981 0.038 0.1030 -0.0035 -0.0692 761SOL H118410 5.791 1.905 0.024 0.8763 0.6720 -0.6084 761SOL H218411 5.652 1.943 0.069 0.5482 -1.0524 -0.1373 762SOL OH218412 1.354 0.246 1.072 -0.3543 0.2744 0.6085 762SOL H118413 1.291 0.242 1.000 0.5277 0.2579 -0.1782 762SOL H218414 1.321 0.184 1.136 -1.2516 0.4135 0.2981 763SOL OH218415 3.029 4.423 6.863 0.7689 -0.0193 0.2041 763SOL H118416 3.033 4.330 6.839 0.9827 0.1803 -0.5549 763SOL H218417 3.120 4.446 6.884 0.6539 -0.0775 0.7895 764SOL OH218418 5.743 0.546 7.823 0.0904 -0.2914 1.0164 764SOL H118419 5.752 0.495 7.743 -0.4205 0.0800 0.7153 764SOL H218420 5.833 0.560 7.853 0.2825 -0.4495 0.5196 765SOL OH218421 5.145 5.397 7.149 -0.5793 0.0998 0.8161 765SOL H118422 5.123 5.400 7.242 0.1255 -1.0788 1.0482 765SOL H218423 5.236 5.366 7.147 0.1739 2.2032 -0.1913 766SOL OH218424 0.798 5.920 7.348 0.0659 0.8798 0.4831 766SOL H118425 0.843 5.884 7.425 1.2131 1.4065 0.0863 766SOL H218426 0.853 5.893 7.274 -0.9864 0.4356 -0.1574 767SOL OH218427 3.352 4.494 6.567 -1.0566 -0.0111 0.2810 767SOL H118428 3.383 4.403 6.578 1.5556 0.7594 -0.0347 767SOL H218429 3.264 4.485 6.533 -0.8988 -2.4467 0.3206 768SOL OH218430 4.101 4.897 1.481 0.1125 -0.4546 0.3108 768SOL H118431 4.130 4.810 1.454 -2.0491 -0.9831 -0.5392 768SOL H218432 4.057 4.883 1.565 0.7659 0.0304 0.7447 769SOL OH218433 0.109 2.520 7.826 0.6229 0.1171 -0.0597 769SOL H118434 0.096 2.603 7.871 0.4649 -0.2036 0.4966 769SOL H218435 0.162 2.468 7.886 -0.6585 -0.7797 0.3523 770SOL OH218436 2.776 0.213 1.600 0.0440 0.2494 0.5514 770SOL H118437 2.691 0.172 1.581 -0.0446 0.3126 0.8144 770SOL H218438 2.771 0.298 1.556 -0.1304 0.3608 0.7847 771SOL OH218439 0.179 3.215 1.845 -0.3897 -0.1246 0.1143 771SOL H118440 0.182 3.310 1.837 -0.3926 -0.0361 1.0268 771SOL H218441 0.264 3.192 1.884 0.1796 -0.6447 -1.3633 772SOL OH218442 1.359 4.182 8.228 -0.3710 0.3697 -0.3583 772SOL H118443 1.426 4.191 8.161 -0.0195 -0.0263 -0.0670 772SOL H218444 1.371 4.093 8.262 -1.2385 0.1801 -0.5105 773SOL OH218445 1.171 5.059 7.064 0.2822 0.0250 0.2110 773SOL H118446 1.138 5.018 6.984 1.1629 -1.1605 0.4186 773SOL H218447 1.258 5.092 7.040 0.6653 -0.5704 0.7145 774SOL OH218448 3.501 5.520 2.022 -0.8801 -0.4561 -0.5079 774SOL H118449 3.409 5.494 2.022 -0.7620 -0.9820 -1.9253 774SOL H218450 3.500 5.611 1.994 -0.9089 -0.9158 -2.1270 775SOL OH218451 0.489 3.948 0.836 0.4496 0.1446 0.4536 775SOL H118452 0.574 3.906 0.849 0.4676 0.4518 1.4322 775SOL H218453 0.426 3.889 0.879 0.0692 -0.4213 -0.8439 776SOL OH218454 2.020 2.441 1.267 0.1066 0.3985 -0.1690 776SOL H118455 2.052 2.404 1.349 -2.3314 -0.4927 0.4711 776SOL H218456 2.082 2.409 1.201 0.2405 -1.7034 0.8913 777SOL OH218457 3.808 2.000 0.612 -0.0073 0.1867 -0.0696 777SOL H118458 3.737 2.007 0.547 -0.7173 -1.8654 0.4238 777SOL H218459 3.833 1.907 0.610 0.8262 0.3472 1.7075 778SOL OH218460 -0.010 3.207 0.049 0.1528 -0.5882 -0.2271 778SOL H118461 0.084 3.209 0.070 0.4030 -0.1186 -1.3449 778SOL H218462 -0.028 3.293 0.012 -0.6163 -0.8506 -0.4718 779SOL OH218463 4.254 2.341 1.646 0.4993 -0.4774 -0.1384 779SOL H118464 4.329 2.300 1.689 0.4574 -1.8706 -1.3107 779SOL H218465 4.278 2.342 1.553 -1.9505 -3.3901 -0.9394 780SOL OH218466 1.437 1.944 7.486 -0.3233 0.6866 -0.0511 780SOL H118467 1.427 1.881 7.414 0.0597 -0.3108 0.7472 780SOL H218468 1.462 2.026 7.443 -1.6028 0.5334 -1.1906 781SOL OH218469 1.650 1.347 2.313 0.0557 0.0033 0.0655 781SOL H118470 1.651 1.277 2.248 -0.2329 2.8112 -3.2654 781SOL H218471 1.561 1.347 2.347 -1.0171 0.7209 -2.4550 782SOL OH218472 3.226 0.234 0.402 0.0283 -0.2028 -0.0941 782SOL H118473 3.313 0.241 0.441 0.2513 -0.3184 -0.5645 782SOL H218474 3.226 0.149 0.359 -0.7855 -0.8089 1.0233 783SOL OH218475 4.279 5.680 7.181 -0.4307 -0.4075 0.3033 783SOL H118476 4.361 5.665 7.134 -0.7429 0.4467 -0.5443 783SOL H218477 4.212 5.645 7.123 -0.6562 -1.3744 1.1277 784SOL OH218478 0.594 3.959 8.340 0.4985 -0.1130 0.2526 784SOL H118479 0.619 4.030 8.280 -0.7710 0.5970 0.5088 784SOL H218480 0.674 3.938 8.387 0.9703 0.9767 -0.0175 785SOL OH218481 3.609 4.067 1.846 -0.4864 -0.8339 0.0330 785SOL H118482 3.535 4.121 1.875 -1.5085 -0.6744 -2.5754 785SOL H218483 3.656 4.122 1.783 0.1827 -1.9560 -0.4706 786SOL OH218484 3.246 0.048 0.028 -0.4232 -0.0335 0.4083 786SOL H118485 3.293 -0.020 -0.020 -0.9166 1.2263 -2.0691 786SOL H218486 3.307 0.077 0.096 1.7499 0.3708 -1.5846 787SOL OH218487 2.866 2.409 7.526 -0.8343 0.1691 0.1055 787SOL H118488 2.938 2.473 7.527 -1.5810 1.0541 -0.6131 787SOL H218489 2.891 2.346 7.458 -1.3610 1.2528 -1.1262 788SOL OH218490 4.636 3.769 7.546 -0.0585 0.5493 -0.0653 788SOL H118491 4.629 3.826 7.469 -0.0916 0.3238 -0.2316 788SOL H218492 4.563 3.796 7.602 -1.0726 -0.3887 -0.8601 789SOL OH218493 5.374 0.901 7.034 -0.8128 0.0899 -0.1474 789SOL H118494 5.380 0.820 7.084 0.1565 1.1023 1.4812 789SOL H218495 5.391 0.875 6.944 -1.3413 -1.6237 0.2100 790SOL OH218496 4.946 5.394 0.757 0.0070 0.1774 0.4381 790SOL H118497 5.030 5.402 0.712 0.2262 -1.5593 0.4635 790SOL H218498 4.966 5.343 0.835 -1.0364 -0.1104 0.5293 791SOL OH218499 3.474 2.872 7.518 0.3295 0.2217 -0.4960 791SOL H118500 3.495 2.937 7.585 1.3686 -0.6653 0.0708 791SOL H218501 3.387 2.896 7.487 0.6183 1.7694 -0.1781 792SOL OH218502 3.218 0.073 7.474 0.2978 0.1155 0.5966 792SOL H118503 3.182 0.125 7.402 -0.4284 -0.6353 0.4011 792SOL H218504 3.312 0.068 7.455 0.0172 -0.7094 -0.7242 793SOL OH218505 0.903 3.381 2.330 -0.0641 0.0507 -0.3046 793SOL H118506 0.906 3.448 2.262 -0.5552 0.6512 0.2540 793SOL H218507 0.981 3.399 2.383 -0.7361 0.8481 0.4475 794SOL OH218508 3.763 0.586 2.893 0.4579 -0.2558 0.4346 794SOL H118509 3.731 0.577 2.982 0.4720 -1.7785 0.2998 794SOL H218510 3.784 0.497 2.865 0.4549 0.1921 -1.0926 795SOL OH218511 5.045 2.619 2.845 -0.3221 0.1505 -0.0544 795SOL H118512 5.107 2.567 2.795 0.8570 1.9387 -0.5588 795SOL H218513 5.091 2.639 2.927 -0.5265 0.8170 -0.0931 796SOL OH218514 0.063 2.335 2.565 0.2971 -0.1337 0.2229 796SOL H118515 0.141 2.283 2.581 1.7137 1.6305 -0.5660 796SOL H218516 0.090 2.401 2.501 -2.3401 -0.5828 -1.5448 797SOL OH218517 2.720 5.900 2.154 -0.0558 0.4995 0.6554 797SOL H118518 2.785 5.840 2.191 0.3481 0.6658 0.2234 797SOL H218519 2.716 5.973 2.216 -0.9681 -0.2273 1.4855 798SOL OH218520 1.804 2.015 2.384 -0.1929 -0.0855 0.1656 798SOL H118521 1.833 2.014 2.475 -0.9228 0.1270 0.4056 798SOL H218522 1.837 1.932 2.348 1.7447 0.6815 0.0729 799SOL OH218523 3.785 2.879 7.729 -0.2516 0.5762 0.4002 799SOL H118524 3.745 2.962 7.703 0.4241 1.1790 1.2585 799SOL H218525 3.865 2.873 7.677 -2.1124 -1.3952 -2.5297 800SOL OH218526 3.586 1.224 1.005 0.6806 0.6583 -0.7920 800SOL H118527 3.681 1.225 1.001 0.7810 -0.5773 0.4920 800SOL H218528 3.562 1.134 0.981 0.0011 0.3012 1.0629 801SOL OH218529 0.059 2.176 7.319 0.3965 -0.2307 0.8636 801SOL H118530 0.101 2.262 7.317 -0.7445 0.3367 -0.2473 801SOL H218531 0.119 2.118 7.274 0.6729 0.2353 0.6280 802SOL OH218532 3.356 4.546 8.176 -0.4187 -0.3826 0.1338 802SOL H118533 3.276 4.593 8.197 -0.0213 1.1958 -1.6081 802SOL H218534 3.336 4.497 8.096 -0.0311 -1.0558 0.4383 803SOL OH218535 4.520 1.044 8.062 0.3786 0.1903 0.2016 803SOL H118536 4.466 0.965 8.055 -0.3648 0.7096 0.0529 803SOL H218537 4.543 1.065 7.972 0.3108 0.3358 0.2198 804SOL OH218538 3.377 4.178 1.984 0.2726 -0.8034 -0.0212 804SOL H118539 3.291 4.221 1.981 -0.1639 -1.6395 0.2147 804SOL H218540 3.410 4.198 2.071 0.0330 -1.0093 0.1189 805SOL OH218541 3.892 4.798 6.472 0.1363 0.1795 -0.1334 805SOL H118542 3.812 4.851 6.466 0.0224 -0.0311 -0.5174 805SOL H218543 3.869 4.716 6.427 -0.0485 -0.6420 1.3972 806SOL OH218544 3.157 3.461 2.160 -0.0353 -0.1090 -0.1417 806SOL H118545 3.105 3.412 2.224 0.4922 0.0418 0.4100 806SOL H218546 3.127 3.551 2.170 -0.3778 -0.1769 -0.5351 807SOL OH218547 3.304 5.755 6.257 0.5289 0.0999 0.2747 807SOL H118548 3.231 5.810 6.228 0.8357 0.2502 -0.2361 807SOL H218549 3.267 5.668 6.266 0.4529 0.0024 -0.7863 808SOL OH218550 1.359 1.197 1.822 -0.0619 -0.9076 0.2153 808SOL H118551 1.303 1.256 1.771 0.1502 -1.2840 -0.4662 808SOL H218552 1.384 1.249 1.898 1.8044 0.6775 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H118785 5.778 1.975 1.844 1.1781 0.0763 -2.8335 886SOL H218786 5.801 1.836 1.898 -1.2185 1.5005 2.5186 887SOL OH218787 4.198 0.152 0.256 0.1821 0.2936 0.7513 887SOL H118788 4.195 0.060 0.280 1.0906 0.3649 1.1799 887SOL H218789 4.273 0.160 0.198 -0.4033 0.6172 0.0110 888SOL OH218790 3.409 5.763 1.939 0.2492 -0.4699 0.5489 888SOL H118791 3.356 5.768 1.859 -0.1986 -1.2837 0.7796 888SOL H218792 3.431 5.854 1.959 1.8793 -0.3447 -1.4776 889SOL OH218793 1.779 5.900 7.864 -0.3641 0.0375 -0.1552 889SOL H118794 1.715 5.914 7.934 0.8338 0.7974 0.8148 889SOL H218795 1.769 5.976 7.807 -0.2969 0.1761 0.0184 890SOL OH218796 2.886 3.449 0.470 0.2818 0.3910 -0.2383 890SOL H118797 2.898 3.541 0.491 -1.6883 0.4990 0.6701 890SOL H218798 2.819 3.419 0.531 -1.9159 -0.6741 -2.9408 891SOL OH218799 4.941 4.268 7.017 0.3098 0.3156 -0.4263 891SOL H118800 4.965 4.176 7.026 2.5932 0.5293 -2.9024 891SOL H218801 4.891 4.273 6.936 -0.7084 1.1416 0.2216 892SOL OH218802 3.628 1.452 0.722 -0.2171 -0.0983 -0.2716 892SOL H118803 3.628 1.532 0.775 -0.9576 -0.8124 0.8484 892SOL H218804 3.576 1.390 0.773 -1.2274 -0.7261 -1.9744 893SOL OH218805 4.007 4.139 8.102 -0.0664 -0.0956 1.0264 893SOL H118806 4.000 4.182 8.016 1.4610 -0.7596 0.5239 893SOL H218807 3.924 4.094 8.113 -1.0004 1.4772 0.7371 894SOL OH218808 2.189 1.721 7.978 0.1918 0.0735 0.1194 894SOL H118809 2.260 1.670 8.018 1.1331 1.4508 0.2733 894SOL H218810 2.199 1.808 8.015 -0.1665 0.8810 -1.5970 895SOL OH218811 3.162 5.100 0.532 0.1595 0.6205 0.5614 895SOL H118812 3.130 5.144 0.453 0.9363 1.0726 0.4900 895SOL H218813 3.083 5.066 0.574 -0.1718 -1.4740 -1.4788 896SOL OH218814 4.987 2.148 6.681 0.5305 -0.4100 -0.0043 896SOL H118815 5.080 2.171 6.681 0.6719 -0.9099 -1.2183 896SOL H218816 4.955 2.177 6.595 -0.9286 1.6098 1.1518 897SOL OH218817 0.933 0.489 0.346 -0.4001 -0.1499 -0.0780 897SOL H118818 0.919 0.581 0.324 1.9242 0.7023 1.5372 897SOL H218819 0.980 0.453 0.270 0.4356 0.5700 0.0768 898SOL OH218820 4.767 0.373 7.896 -0.0002 -0.1589 0.1982 898SOL H118821 4.689 0.344 7.943 -0.0881 2.2759 1.6945 898SOL H218822 4.840 0.352 7.955 0.1778 0.3567 0.1648 899SOL OH218823 1.024 1.966 7.378 0.7020 -0.3750 -0.5500 899SOL H118824 0.944 1.914 7.382 0.1434 0.4747 -0.6102 899SOL H218825 1.076 1.935 7.453 -0.2897 0.0596 0.3324 900SOL OH218826 3.148 1.147 1.174 0.2883 -0.1476 -0.5206 900SOL H118827 3.167 1.068 1.122 0.4195 0.3884 -1.2967 900SOL H218828 3.234 1.174 1.208 0.2211 -0.4230 -0.1228 901SOL OH218829 4.390 5.430 7.679 0.2286 -0.0652 -0.6552 901SOL H118830 4.454 5.389 7.737 -1.3415 -0.2418 1.0494 901SOL H218831 4.417 5.522 7.675 -0.0014 0.0907 0.9206 902SOL OH218832 2.179 0.579 2.548 -0.3759 -0.2387 0.2329 902SOL H118833 2.227 0.644 2.497 -1.4446 0.0715 -0.4230 902SOL H218834 2.133 0.630 2.615 -1.2850 -0.2879 -0.3372 903SOL OH218835 1.315 1.592 7.619 0.0161 0.2781 0.1988 903SOL H118836 1.357 1.510 7.645 -0.2465 -0.2030 -0.8583 903SOL H218837 1.336 1.601 7.526 -2.5058 -0.1797 -0.4869 904SOL OH218838 1.446 1.268 1.267 0.5572 0.2938 -0.7863 904SOL H118839 1.401 1.207 1.325 -0.3091 0.5585 -1.1729 904SOL H218840 1.521 1.218 1.234 0.5512 -0.1493 -0.1398 905SOL OH218841 3.441 2.622 0.665 0.2064 -0.1073 0.1812 905SOL H118842 3.422 2.570 0.586 -0.8977 0.5586 -0.0115 905SOL H218843 3.536 2.629 0.666 0.2187 0.8494 -1.7608 906SOL OH218844 3.203 0.889 1.063 0.3343 0.2737 0.2977 906SOL H118845 3.204 0.882 0.967 1.3294 -1.5823 0.4052 906SOL H218846 3.116 0.858 1.088 1.3825 -3.1120 0.1568 907SOL OH218847 2.395 4.741 0.430 0.3856 -0.3979 0.1623 907SOL H118848 2.370 4.795 0.505 -1.1135 -1.2506 0.3092 907SOL H218849 2.485 4.768 0.411 -0.0745 1.6534 0.6296 908SOL OH218850 2.892 5.424 1.449 0.3746 0.4397 -0.1534 908SOL H118851 2.847 5.374 1.380 -0.4369 0.5167 0.3070 908SOL H218852 2.946 5.360 1.494 0.3892 0.2518 -0.4325 909SOL OH218853 3.148 1.656 0.479 -0.5194 0.4255 0.3421 909SOL H118854 3.134 1.691 0.567 -0.4162 1.6576 -0.1079 909SOL H218855 3.064 1.616 0.456 -0.9069 1.0798 0.5823 910SOL OH218856 4.263 1.589 1.069 -0.0756 -0.0814 -0.2126 910SOL H118857 4.247 1.545 1.152 0.5267 0.0717 -0.0099 910SOL H218858 4.282 1.680 1.093 1.0398 -0.2363 -0.4190 911SOL OH218859 1.948 0.255 8.068 0.5226 -0.2902 -0.2869 911SOL H118860 1.979 0.257 7.978 -0.8588 -2.4150 -0.8787 911SOL H218861 1.855 0.278 8.063 0.4889 -0.1459 0.6552 912SOL OH218862 4.750 1.397 8.149 -0.2458 -0.3296 -0.4378 912SOL H118863 4.657 1.373 8.149 0.0457 -1.5359 -0.3241 912SOL H218864 4.762 1.443 8.066 -1.1130 0.5997 -0.0778 913SOL OH218865 5.295 2.374 1.673 -0.3565 -0.7293 -0.1860 913SOL H118866 5.247 2.292 1.659 2.5380 -2.7843 1.0160 913SOL H218867 5.314 2.406 1.585 -2.2726 -0.8106 -0.6769 914SOL OH218868 1.048 1.131 1.231 -0.2777 -0.2046 -0.4598 914SOL H118869 0.956 1.109 1.242 -0.5419 0.6161 -0.9662 914SOL H218870 1.076 1.158 1.319 -0.7204 0.2623 -0.4558 915SOL OH218871 3.987 1.386 0.025 -0.1717 -0.3586 0.3419 915SOL H118872 3.938 1.435 0.092 -0.7826 -1.0499 0.4085 915SOL H218873 3.920 1.353 -0.035 0.2035 -1.2958 0.4228 916SOL OH218874 5.034 5.068 7.523 -0.2883 0.2064 0.3923 916SOL H118875 5.108 5.031 7.572 1.0342 -0.1659 -1.7571 916SOL H218876 5.004 4.996 7.467 1.5650 1.8578 -3.0202 917SOL OH218877 2.899 3.203 7.262 0.0184 0.4535 0.0885 917SOL H118878 2.856 3.279 7.300 -0.0917 0.1412 0.6023 917SOL H218879 2.909 3.142 7.336 1.3277 0.5176 -0.0112 918SOL OH218880 3.121 0.497 8.079 -0.2536 0.2874 -0.1776 918SOL H118881 3.189 0.534 8.135 -0.5273 0.3217 0.1323 918SOL H218882 3.164 0.426 8.032 0.1608 0.7133 -0.4471 919SOL OH218883 2.208 3.599 0.588 0.0046 -0.1424 -0.1697 919SOL H118884 2.168 3.573 0.671 -0.1769 -0.6656 -0.4187 919SOL H218885 2.134 3.615 0.530 0.1415 -0.3389 -0.3993 920SOL OH218886 2.636 0.687 7.039 -0.0428 -0.0139 0.5049 920SOL H118887 2.541 0.678 7.032 -0.3498 2.4642 0.7955 920SOL H218888 2.669 0.658 6.954 -1.2295 0.7765 -0.2565 921SOL OH218889 3.382 0.578 8.231 -0.0424 -0.1414 -0.4116 921SOL H118890 3.462 0.620 8.198 1.2312 -1.2745 1.0364 921SOL H218891 3.395 0.573 8.326 -1.9597 -0.1539 -0.1169 922SOL OH218892 3.912 5.071 0.608 -0.1002 0.2793 -0.2615 922SOL H118893 3.938 5.152 0.565 -1.6239 0.4055 -1.0005 922SOL H218894 3.950 5.077 0.696 -0.4401 1.9394 -0.2041 923SOL OH218895 3.618 4.937 0.737 0.0873 -0.0353 -0.1103 923SOL H118896 3.669 4.980 0.668 -0.2058 0.9453 0.2658 923SOL H218897 3.532 4.924 0.698 -0.0658 0.4798 0.0468 924SOL OH218898 1.153 1.986 1.792 -0.2724 0.2547 0.4233 924SOL H118899 1.108 1.902 1.806 -0.8286 0.4540 -0.1106 924SOL H218900 1.083 2.051 1.796 0.2926 0.8136 1.8506 925SOL OH218901 1.374 3.501 0.157 -0.3381 -0.5425 0.1741 925SOL H118902 1.442 3.565 0.176 -1.6430 0.5103 1.5156 925SOL H218903 1.397 3.468 0.070 0.3122 1.8628 -0.6632 926SOL OH218904 3.914 0.267 8.063 0.0691 -0.1488 0.0686 926SOL H118905 3.944 0.320 7.989 0.4597 0.4346 0.6330 926SOL H218906 3.854 0.203 8.024 -2.1842 2.0798 -0.3781 927SOL OH218907 2.749 4.931 6.354 -0.7304 0.2398 0.3003 927SOL H118908 2.698 4.895 6.426 -1.7530 1.4362 0.2011 927SOL H218909 2.686 4.946 6.284 -0.1344 1.1030 -0.0714 928SOL OH218910 0.639 4.299 6.357 0.1702 0.0172 -0.1680 928SOL H118911 0.699 4.288 6.431 0.7773 -0.2374 -0.6865 928SOL H218912 0.641 4.393 6.338 0.4370 0.0064 -0.2003 929SOL OH218913 1.536 5.463 1.492 0.3390 -0.3707 0.5510 929SOL H118914 1.533 5.531 1.560 -1.4372 -1.1273 1.2849 929SOL H218915 1.605 5.404 1.521 -0.4359 -0.7246 1.7940 930SOL OH218916 1.320 5.063 2.508 -0.4533 0.0556 -0.0036 930SOL H118917 1.230 5.088 2.530 0.1146 0.9931 1.3790 930SOL H218918 1.374 5.132 2.546 0.8800 -0.6475 -0.5604 931SOL OH218919 3.002 0.931 7.627 -0.1547 -0.6637 0.1438 931SOL H118920 3.068 0.986 7.669 -0.0151 -0.2191 -0.6380 931SOL H218921 3.039 0.843 7.630 1.2763 -0.1932 -1.7507 932SOL OH218922 2.670 1.377 8.013 -0.1484 -0.2028 0.2470 932SOL H118923 2.734 1.370 7.943 -0.3592 0.0471 0.0247 932SOL H218924 2.692 1.307 8.074 1.1931 0.7143 0.8691 933SOL OH218925 1.562 0.403 1.008 -0.6065 0.2257 0.4898 933SOL H118926 1.480 0.361 1.034 0.2602 -1.3518 0.7863 933SOL H218927 1.619 0.331 0.980 0.5488 1.3184 -0.1235 934SOL OH218928 5.501 3.145 1.105 -0.5302 0.2341 -0.2926 934SOL H118929 5.480 3.211 1.171 -0.2577 0.2125 -0.1833 934SOL H218930 5.519 3.066 1.155 1.3467 0.6412 -0.2722 935SOL OH218931 2.445 0.124 2.148 -0.0325 0.1659 -0.0565 935SOL H118932 2.509 0.109 2.218 1.1472 -0.3397 -1.2033 935SOL H218933 2.366 0.152 2.194 0.5489 -0.6260 1.5234 936SOL OH218934 1.173 3.210 0.107 0.5901 -0.3099 -0.3130 936SOL H118935 1.105 3.161 0.061 0.0402 0.1322 0.0197 936SOL H218936 1.153 3.302 0.090 -0.7047 -0.0231 2.2168 937SOL OH218937 4.306 3.547 0.298 -0.0671 -0.1090 0.4123 937SOL H118938 4.337 3.469 0.344 -1.3207 -0.3906 0.8062 937SOL H218939 4.211 3.540 0.299 -0.2086 1.3986 0.4054 938SOL OH218940 2.199 4.714 7.103 -0.2133 -0.1817 0.0079 938SOL H118941 2.125 4.764 7.069 0.3452 0.8849 0.3175 938SOL H218942 2.250 4.690 7.026 0.0040 0.5351 -0.0777 939SOL OH218943 3.319 3.344 7.730 -0.3083 -0.4911 -0.3256 939SOL H118944 3.386 3.410 7.713 0.1811 -0.9930 -0.3992 939SOL H218945 3.295 3.357 7.821 1.5704 -1.7503 0.4249 940SOL OH218946 2.426 5.159 7.808 -0.4360 0.1373 0.0280 940SOL H118947 2.500 5.153 7.748 -0.8131 0.1225 -0.4430 940SOL H218948 2.432 5.247 7.844 -0.4433 0.2902 -0.3421 941SOL OH218949 4.395 4.618 7.400 0.2626 -0.1495 0.0995 941SOL H118950 4.322 4.607 7.339 0.3494 0.9476 -0.2253 941SOL H218951 4.388 4.708 7.430 0.2095 -0.6743 1.7686 942SOL OH218952 4.649 1.359 2.018 0.3559 -0.0978 -1.0547 942SOL H118953 4.630 1.429 1.956 0.0728 1.8770 1.1333 942SOL H218954 4.603 1.283 1.982 0.0879 0.9919 -3.1582 943SOL OH218955 5.995 0.189 7.432 0.5364 -0.4051 -0.0957 943SOL H118956 5.920 0.163 7.377 -0.8372 0.5429 1.2544 943SOL H218957 5.964 0.266 7.480 1.4479 -1.5068 2.4324 944SOL OH218958 0.865 1.443 7.597 0.0058 0.3658 0.1101 944SOL H118959 0.860 1.497 7.518 0.3960 -1.3818 -1.1968 944SOL H218960 0.958 1.445 7.622 -0.4311 2.6046 1.8564 945SOL OH218961 4.570 5.631 1.800 -0.8992 -0.5205 0.3137 945SOL H118962 4.554 5.541 1.826 -0.9312 -0.3631 0.8628 945SOL H218963 4.544 5.636 1.708 -0.6457 -1.1308 0.2079 946SOL OH218964 5.046 1.643 1.954 0.0788 -0.0862 -0.3470 946SOL H118965 5.016 1.552 1.952 -1.6625 0.4689 -0.8379 946SOL H218966 5.103 1.651 1.878 -0.6162 -0.5003 -0.9265 947SOL OH218967 2.988 4.349 0.292 -0.5899 0.5956 0.0297 947SOL H118968 2.895 4.341 0.272 -0.6441 -0.5721 0.6414 947SOL H218969 2.996 4.317 0.382 0.6108 -0.8865 -0.5666 948SOL OH218970 2.835 4.894 0.259 0.0895 -0.0101 0.2159 948SOL H118971 2.892 4.826 0.296 0.6089 0.7216 0.7819 948SOL H218972 2.769 4.845 0.210 1.4727 -0.8627 -0.8599 949SOL OH218973 2.179 1.455 1.550 -0.1650 0.3428 0.4602 949SOL H118974 2.225 1.464 1.467 2.0889 -2.8731 1.2066 949SOL H218975 2.197 1.537 1.597 2.2634 0.4319 -0.5246 950SOL OH218976 4.849 3.477 1.937 0.0373 0.4629 -0.3346 950SOL H118977 4.898 3.556 1.916 1.9363 -0.4056 0.5890 950SOL H218978 4.831 3.483 2.031 0.1837 -0.1868 -0.2568 951SOL OH218979 1.364 2.320 2.406 0.1352 -0.0857 0.5492 951SOL H118980 1.290 2.338 2.464 -0.1213 -1.5559 0.7245 951SOL H218981 1.325 2.272 2.332 0.7620 0.0306 0.1346 952SOL OH218982 2.446 5.716 0.667 0.2786 -0.4459 -0.1027 952SOL H118983 2.419 5.785 0.607 -1.7599 -0.7542 0.3870 952SOL H218984 2.507 5.760 0.727 -1.4543 1.1554 0.6047 953SOL OH218985 5.526 3.322 8.232 0.0285 0.5333 0.1431 953SOL H118986 5.581 3.385 8.186 1.1826 -0.4531 0.1160 953SOL H218987 5.562 3.319 8.321 -0.1406 0.0719 0.2013 954SOL OH218988 0.762 4.647 2.025 -0.7020 -0.5302 -0.0909 954SOL H118989 0.838 4.653 2.084 -0.5060 -0.8282 -0.3105 954SOL H218990 0.710 4.576 2.062 -1.0945 -0.0458 0.3061 955SOL OH218991 5.622 2.938 1.534 0.4097 0.3653 -0.3976 955SOL H118992 5.571 2.969 1.609 -0.0141 1.1137 -0.9894 955SOL H218993 5.562 2.880 1.487 0.8492 -0.5351 0.1136 956SOL OH218994 5.725 3.800 0.613 0.2195 -0.2483 -0.4022 956SOL H118995 5.741 3.772 0.704 0.1344 -0.1898 -0.3694 956SOL H218996 5.764 3.731 0.560 -0.3081 -0.6088 -0.3210 957SOL OH218997 3.925 5.956 1.034 -0.0892 0.0432 0.4986 957SOL H118998 3.833 5.937 1.015 -0.0031 0.8030 -0.7861 957SOL H218999 3.973 5.913 0.963 0.3277 2.1023 -0.5269 958SOL OH219000 3.682 4.417 1.499 0.2149 0.1875 0.2228 958SOL H119001 3.704 4.475 1.426 -2.2223 0.2768 -0.5125 958SOL H219002 3.752 4.431 1.563 2.5591 -0.0161 -2.1049 959SOL OH219003 4.785 4.781 1.055 0.1678 -0.3852 -1.0676 959SOL H119004 4.723 4.853 1.063 0.3482 -0.2895 -0.4634 959SOL H219005 4.793 4.766 0.961 0.3709 0.5984 -1.2118 960SOL OH219006 3.812 2.241 7.505 0.0970 0.2683 0.0985 960SOL H119007 3.865 2.222 7.582 0.0679 1.2763 0.3788 960SOL H219008 3.742 2.297 7.538 -0.3504 0.0845 -0.5287 961SOL OH219009 4.198 1.521 2.211 -0.2479 -0.1375 0.6952 961SOL H119010 4.221 1.445 2.157 0.7605 0.7065 -0.1056 961SOL H219011 4.185 1.485 2.299 0.5498 -1.1955 0.4012 962SOL OH219012 4.362 2.510 0.544 -0.5136 -0.0617 0.0768 962SOL H119013 4.276 2.551 0.540 -0.9725 -0.9560 0.4674 962SOL H219014 4.410 2.561 0.609 -0.8844 0.1916 0.1530 963SOL OH219015 2.150 4.660 2.694 -0.0526 -0.5121 0.0938 963SOL H119016 2.245 4.675 2.698 0.2088 -1.8832 -0.4109 963SOL H219017 2.112 4.739 2.733 1.1721 1.3432 -2.1534 964SOL OH219018 1.902 3.292 0.290 -0.2122 0.3237 -0.2205 964SOL H119019 1.819 3.321 0.253 -0.3249 0.2734 -0.0114 964SOL H219020 1.965 3.361 0.266 -0.5016 0.8149 0.3719 965SOL OH219021 3.354 3.004 0.656 -0.0614 0.4296 -0.2112 965SOL H119022 3.367 3.075 0.719 -0.0583 -1.1342 1.6434 965SOL H219023 3.427 3.012 0.595 1.6287 0.3038 1.6833 966SOL OH219024 2.627 5.716 0.046 0.1362 0.0873 -0.2264 966SOL H119025 2.720 5.701 0.062 0.0082 -0.3617 0.1124 966SOL H219026 2.598 5.766 0.122 -0.5247 -2.2498 1.1677 967SOL OH219027 3.562 1.673 0.216 -0.1571 -0.1329 0.2225 967SOL H119028 3.597 1.599 0.168 -0.9274 -0.0468 -0.4919 967SOL H219029 3.536 1.736 0.149 -0.8083 0.1893 0.7579 968SOL OH219030 1.572 1.122 7.783 -0.0411 0.0472 0.2838 968SOL H119031 1.659 1.115 7.821 -0.1857 -0.1147 0.5949 968SOL H219032 1.579 1.082 7.697 0.5477 1.3365 -0.2960 969SOL OH219033 3.504 4.688 7.823 -0.0639 0.1044 0.1451 969SOL H119034 3.593 4.676 7.857 -0.7440 -0.0414 1.9467 969SOL H219035 3.515 4.751 7.752 1.6517 -0.8751 -0.5335 970SOL OH219036 0.268 4.088 1.379 -0.1825 0.0366 -0.4452 970SOL H119037 0.279 4.147 1.305 2.0320 -1.2376 -1.2173 970SOL H219038 0.353 4.089 1.424 -0.6305 -1.2562 0.5026 971SOL OH219039 4.708 1.738 0.839 -0.2982 0.6869 0.0315 971SOL H119040 4.680 1.685 0.764 -0.5144 -0.7489 1.0860 971SOL H219041 4.759 1.810 0.801 -1.5692 0.7768 -1.5839 972SOL OH219042 5.658 5.682 7.649 0.0873 -0.2508 0.4385 972SOL H119043 5.699 5.703 7.733 -0.3178 -0.3167 0.6589 972SOL H219044 5.671 5.761 7.595 1.0123 -0.4946 0.2971 973SOL OH219045 3.690 4.328 0.902 -0.1487 0.0603 0.2983 973SOL H119046 3.763 4.370 0.949 -1.1410 0.5781 1.4245 973SOL H219047 3.677 4.382 0.824 0.0839 0.4925 0.5588 974SOL OH219048 2.236 3.959 0.170 0.1343 0.8814 -0.2271 974SOL H119049 2.220 3.963 0.264 0.9325 -0.6949 0.0071 974SOL H219050 2.330 3.978 0.161 0.2625 0.0920 -0.6063 975SOL OH219051 3.010 3.045 7.986 0.2901 -0.8778 -0.4065 975SOL H119052 3.100 3.018 7.968 0.0563 -1.3285 -0.9320 975SOL 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1.971 0.100 1.4190 0.4324 0.8659 1040SOL H219248 1.496 2.112 0.080 -1.2456 1.2343 -0.6801 1041SOL OH219249 3.628 0.589 7.279 -0.0194 0.0915 -0.5958 1041SOL H119250 3.699 0.576 7.217 -0.1575 -0.5381 -0.6334 1041SOL H219251 3.655 0.663 7.333 -0.8147 2.0816 -2.7369 1042SOL OH219252 3.106 5.617 7.077 0.0178 0.1809 0.4379 1042SOL H119253 3.041 5.682 7.050 0.8867 0.5222 -0.9367 1042SOL H219254 3.183 5.669 7.100 0.0790 -0.2704 1.2946 1043SOL OH219255 2.687 2.774 1.294 0.3167 0.5454 0.0163 1043SOL H119256 2.770 2.729 1.277 0.3386 1.0016 -1.2090 1043SOL H219257 2.635 2.711 1.344 1.9334 0.8112 2.1801 1044SOL OH219258 4.703 0.453 7.341 -0.1709 0.2067 -0.9179 1044SOL H119259 4.633 0.393 7.365 -1.0827 0.9450 -1.6529 1044SOL H219260 4.675 0.538 7.374 1.1414 0.2570 0.1821 1045SOL OH219261 0.984 4.222 6.926 0.4694 0.5301 -0.1200 1045SOL H119262 1.028 4.284 6.985 0.1490 -0.5086 1.2552 1045SOL H219263 1.024 4.239 6.841 0.6141 2.4143 0.2583 1046SOL OH219264 2.960 2.068 1.007 -0.3772 -0.2104 -0.7272 1046SOL H119265 2.873 2.087 1.041 0.2489 1.2452 0.1717 1046SOL H219266 2.980 2.142 0.949 1.0103 0.5239 0.6106 1047SOL OH219267 2.077 3.822 8.332 -0.2275 -0.6992 -0.1627 1047SOL H119268 2.129 3.748 8.302 -0.6655 -0.6995 -0.9412 1047SOL H219269 2.141 3.882 8.371 0.1643 -1.3424 0.2049 1048SOL OH219270 4.614 3.299 0.748 0.0265 -0.1934 -0.1355 1048SOL H119271 4.690 3.341 0.789 0.1273 1.6558 -2.0449 1048SOL H219272 4.650 3.224 0.701 0.2370 -0.9465 1.1920 1049SOL OH219273 5.120 5.424 7.417 -0.1025 -0.2031 0.0583 1049SOL H119274 5.034 5.407 7.456 0.4322 -0.3512 1.2161 1049SOL H219275 5.182 5.397 7.485 0.8646 -0.4366 -0.9046 1050SOL OH219276 0.683 5.417 1.032 -0.5848 0.0238 -0.2394 1050SOL H119277 0.703 5.339 0.979 -1.6483 -0.9219 0.7004 1050SOL H219278 0.718 5.396 1.119 -2.3007 -0.1157 0.4556 1051SOL OH219279 1.713 3.418 1.336 0.0531 0.1186 -0.2527 1051SOL H119280 1.655 3.408 1.261 -0.5473 -1.2375 0.3499 1051SOL H219281 1.662 3.384 1.410 1.0958 0.2199 0.5439 1052SOL OH219282 0.409 4.522 6.495 0.4546 0.5661 0.1760 1052SOL H119283 0.438 4.544 6.583 -2.0673 0.4276 1.1401 1052SOL H219284 0.394 4.607 6.453 -1.2548 0.7091 0.9922 1053SOL OH219285 4.061 5.274 2.194 -0.3486 -0.5682 0.2271 1053SOL H119286 4.042 5.363 2.164 2.2252 -0.4003 -1.1627 1053SOL H219287 4.132 5.285 2.258 0.2299 -1.6371 -0.2129 1054SOL OH219288 0.971 0.799 0.358 0.0960 -0.0387 0.1106 1054SOL H119289 1.040 0.775 0.296 -0.4379 -1.4141 0.0195 1054SOL H219290 0.994 0.888 0.385 2.3362 -0.7103 0.6630 1055SOL OH219291 4.453 3.575 0.051 0.1017 -0.0455 0.5148 1055SOL H119292 4.530 3.600 0.103 1.1675 -0.8148 -0.6137 1055SOL H219293 4.382 3.570 0.114 1.5649 -2.0520 2.1745 1056SOL OH219294 2.283 4.933 1.633 -0.3848 0.0645 -0.3489 1056SOL H119295 2.323 4.976 1.708 -0.3140 -3.0575 1.5875 1056SOL H219296 2.356 4.891 1.587 -0.7318 -0.2622 -0.6085 1057SOL OH219297 2.976 1.554 7.902 0.0524 0.0283 -0.3379 1057SOL H119298 3.030 1.580 7.827 -2.0392 -0.5926 -2.2047 1057SOL H219299 2.934 1.473 7.874 -3.5073 1.5521 -0.0469 1058SOL OH219300 3.973 0.415 6.586 -0.1268 -0.1235 -0.2206 1058SOL H119301 4.008 0.402 6.497 1.0650 1.6099 -0.0625 1058SOL H219302 4.041 0.380 6.643 -0.0307 0.4476 0.0252 1059SOL OH219303 0.855 4.578 1.537 -0.0583 0.5868 -0.2789 1059SOL H119304 0.944 4.608 1.520 0.3910 0.1565 1.1736 1059SOL H219305 0.866 4.491 1.576 -1.0982 0.6034 0.0830 1060SOL OH219306 4.172 2.968 6.654 0.2979 -0.3375 -0.2002 1060SOL H119307 4.242 3.032 6.666 -0.1250 0.0953 -0.0390 1060SOL H219308 4.217 2.883 6.657 0.9832 -0.0256 -1.2844 1061SOL OH219309 3.568 3.355 0.739 -0.2280 -0.0907 0.3370 1061SOL H119310 3.632 3.305 0.689 -1.4836 -1.7392 0.2854 1061SOL H219311 3.601 3.445 0.738 0.1551 -0.1464 -2.8742 1062SOL OH219312 0.465 2.376 0.627 0.0388 0.1799 0.3982 1062SOL H119313 0.499 2.289 0.648 2.1319 0.3307 -1.8233 1062SOL H219314 0.541 2.422 0.591 -1.8005 1.7309 -1.7599 1063SOL OH219315 3.609 5.009 1.355 0.2377 0.6936 -0.0586 1063SOL H119316 3.621 5.101 1.332 0.0825 0.2847 -2.0061 1063SOL H219317 3.693 4.968 1.331 -0.2517 0.0832 -0.7696 1064SOL OH219318 5.892 2.159 2.085 0.4986 0.4286 0.1758 1064SOL H119319 5.827 2.221 2.119 0.3173 0.2748 0.1064 1064SOL H219320 5.883 2.166 1.990 0.6938 0.5235 0.1635 1065SOL OH219321 1.927 2.266 0.200 0.2694 -0.7462 0.2032 1065SOL H119322 1.913 2.172 0.214 -0.9678 -1.1920 -3.0205 1065SOL H219323 1.844 2.297 0.163 1.6237 0.9084 -1.6745 1066SOL OH219324 1.991 2.827 1.078 0.1663 0.1986 -0.3474 1066SOL H119325 2.069 2.859 1.033 -0.3121 -0.1055 -1.4420 1066SOL H219326 2.024 2.778 1.153 0.9600 1.7208 0.3400 1067SOL OH219327 4.854 1.220 1.258 0.1197 0.1797 -0.1221 1067SOL H119328 4.784 1.268 1.214 -0.4610 -1.0383 -0.5692 1067SOL H219329 4.835 1.128 1.240 2.8751 -0.1496 -1.9000 1068SOL OH219330 4.152 1.127 1.513 0.2173 0.0283 0.2331 1068SOL H119331 4.241 1.142 1.482 0.6954 -1.7539 0.6365 1068SOL H219332 4.133 1.036 1.489 -1.5551 0.4029 0.0470 1069SOL OH219333 2.998 2.175 8.325 -0.2522 0.6021 -0.3799 1069SOL H119334 2.944 2.146 8.251 -0.8485 2.2986 -0.6663 1069SOL H219335 3.006 2.098 8.381 -1.0160 -0.3222 -1.4987 1070SOL OH219336 4.228 5.161 1.603 -0.1303 0.4599 0.1928 1070SOL H119337 4.145 5.113 1.604 0.8090 -1.3357 2.4400 1070SOL H219338 4.229 5.205 1.518 -1.5794 -2.7030 -1.6755 1071SOL OH219339 4.578 5.175 1.712 -0.5014 -0.4513 -0.3142 1071SOL H119340 4.508 5.226 1.753 -0.8976 -0.5556 -0.8455 1071SOL H219341 4.532 5.115 1.653 0.0316 -0.6151 -0.5677 1072SOL OH219342 0.482 4.319 0.278 -0.5040 -0.1957 -0.1070 1072SOL H119343 0.487 4.318 0.373 -0.6703 -0.0236 -0.0967 1072SOL H219344 0.490 4.227 0.252 -0.5335 -0.2493 0.0759 1073SOL OH219345 1.155 2.441 7.701 -0.3553 0.0642 0.2737 1073SOL H119346 1.126 2.483 7.782 0.1276 -0.6602 0.8433 1073SOL H219347 1.178 2.513 7.643 -0.4660 0.5891 0.8716 1074SOL OH219348 3.260 5.622 1.053 -0.4829 0.6248 0.3046 1074SOL H119349 3.313 5.543 1.062 -1.3579 0.1692 1.6423 1074SOL H219350 3.170 5.591 1.048 -0.7992 1.5135 0.2062 1075SOL OH219351 4.241 5.770 6.826 0.1967 -0.2005 -0.5398 1075SOL H119352 4.232 5.719 6.746 -0.0711 -1.7809 0.4610 1075SOL H219353 4.335 5.773 6.843 0.4771 1.9903 -2.0065 1076SOL OH219354 0.440 0.986 8.282 0.2363 0.0762 -0.4701 1076SOL H119355 0.454 0.923 8.212 -0.0340 -0.6450 0.1080 1076SOL H219356 0.490 1.063 8.256 2.2071 -1.0582 -0.2635 1077SOL OH219357 5.934 5.270 7.474 0.0918 0.0111 -0.1880 1077SOL H119358 5.886 5.341 7.515 -0.6436 -0.9157 0.6087 1077SOL H219359 6.014 5.311 7.440 0.1116 1.0541 1.0408 1078SOL OH219360 2.059 0.120 7.294 -0.0487 -0.4049 -0.2935 1078SOL H119361 2.073 0.030 7.325 -0.1466 -0.1929 0.3821 1078SOL H219362 2.102 0.123 7.209 0.2973 -0.9787 -0.1437 1079SOL OH219363 0.064 5.048 7.004 -0.2118 0.6326 -0.3640 1079SOL H119364 0.042 5.136 7.033 -0.2269 0.1833 1.0484 1079SOL H219365 0.129 5.017 7.067 1.9830 0.6681 -2.4957 1080SOL OH219366 5.965 1.139 7.234 -0.3773 -0.1441 0.2685 1080SOL H119367 5.994 1.146 7.143 -2.6491 -1.1782 -0.5917 1080SOL H219368 6.046 1.141 7.284 1.1977 -2.3320 -1.9315 1081SOL OH219369 3.586 0.400 1.528 0.3428 0.7388 0.1500 1081SOL H119370 3.596 0.307 1.550 1.0526 0.6069 -0.6983 1081SOL H219371 3.654 0.444 1.579 -1.3779 1.0946 2.2695 1082SOL OH219372 5.525 0.508 7.975 0.0602 0.1473 0.3204 1082SOL H119373 5.469 0.583 7.954 -0.4085 0.0241 1.0842 1082SOL H219374 5.598 0.514 7.914 -1.9272 -1.0201 -2.3670 1083SOL OH219375 2.743 5.096 1.880 0.2328 -0.3252 -0.4970 1083SOL H119376 2.700 5.132 1.958 1.9567 -0.3252 0.5146 1083SOL H219377 2.796 5.023 1.913 1.1541 -0.2040 -1.6190 1084SOL OH219378 0.280 4.233 7.638 -0.2589 0.0524 -0.2697 1084SOL H119379 0.286 4.150 7.685 0.5110 -0.7981 -1.7866 1084SOL H219380 0.216 4.217 7.568 -1.7355 1.4252 0.7001 1085SOL OH219381 1.941 3.815 7.701 -0.3170 0.1145 0.1000 1085SOL H119382 1.918 3.723 7.689 0.9053 -0.0097 -1.6194 1085SOL H219383 1.918 3.834 7.792 -2.9632 -1.1636 -0.2017 1086SOL OH219384 3.742 4.962 2.005 -0.0713 -0.1016 0.1101 1086SOL H119385 3.788 5.010 2.073 -0.2855 1.4405 -0.7799 1086SOL H219386 3.786 4.877 2.000 3.7209 1.7522 -1.6653 1087SOL OH219387 0.393 0.201 0.473 -0.0120 0.4143 -0.5429 1087SOL H119388 0.394 0.117 0.519 -1.6653 0.9774 0.5859 1087SOL H219389 0.443 0.260 0.529 -1.9627 1.0807 0.5957 1088SOL OH219390 3.031 4.219 8.012 -0.0557 -0.2529 -0.4557 1088SOL H119391 3.111 4.167 8.012 -0.4165 -0.8443 -2.0944 1088SOL H219392 2.997 4.210 8.102 0.1909 -2.3951 -0.5192 1089SOL OH219393 1.239 5.821 6.019 -0.0696 0.0576 -0.0012 1089SOL H119394 1.150 5.854 6.032 0.4996 1.0514 1.7530 1089SOL H219395 1.281 5.888 5.964 0.0268 0.4128 0.4927 1090SOL OH219396 5.825 3.989 2.323 -0.8339 0.2113 -0.6926 1090SOL H119397 5.740 3.966 2.284 -1.2024 -1.2340 0.8800 1090SOL H219398 5.829 3.940 2.405 2.1486 -0.9245 -1.3707 1091SOL OH219399 0.803 3.863 0.147 0.1805 -0.3352 0.8526 1091SOL H119400 0.827 3.900 0.232 -1.9521 -1.1927 1.8888 1091SOL H219401 0.878 3.809 0.123 1.8009 1.6960 1.0454 1092SOL OH219402 4.228 2.107 7.115 -0.4129 -0.0571 0.1301 1092SOL H119403 4.312 2.149 7.096 -0.7622 0.3530 -0.5826 1092SOL H219404 4.227 2.029 7.059 -0.4291 -0.1476 0.2584 1093SOL OH219405 3.970 0.670 1.426 -0.5166 -0.0146 0.3643 1093SOL H119406 4.025 0.601 1.389 0.7233 1.2556 -0.2367 1093SOL H219407 3.884 0.657 1.384 0.5582 0.7637 -2.3118 1094SOL OH219408 5.624 3.986 8.181 -0.4092 -0.1808 0.2578 1094SOL H119409 5.631 3.897 8.216 0.8465 0.6997 2.4746 1094SOL H219410 5.537 4.015 8.207 -0.2520 -0.2512 0.8777 1095SOL OH219411 5.293 4.526 8.252 0.5071 0.3649 -0.4028 1095SOL H119412 5.210 4.515 8.205 0.3055 -1.9115 0.3737 1095SOL H219413 5.342 4.588 8.199 -1.0562 0.5069 -1.7622 1096SOL OH219414 3.555 5.234 8.141 0.3508 -0.0299 -0.1155 1096SOL H119415 3.565 5.172 8.069 -0.7159 -0.8337 0.4044 1096SOL H219416 3.594 5.190 8.217 -0.9815 -0.3787 0.4043 1097SOL OH219417 4.894 3.143 0.793 -0.4646 -0.1368 0.6715 1097SOL H119418 4.923 3.054 0.774 -0.3782 0.1732 -0.7734 1097SOL H219419 4.859 3.139 0.882 0.9508 -1.2572 1.2083 1098SOL OH219420 0.438 1.890 0.291 0.1512 0.0413 0.4397 1098SOL H119421 0.421 1.950 0.363 -0.7072 -1.0354 1.1702 1098SOL H219422 0.402 1.934 0.214 0.5597 0.9490 0.7554 1099SOL OH219423 3.102 3.685 0.233 -0.0172 0.2751 0.1774 1099SOL H119424 3.141 3.598 0.239 -1.0447 -0.1706 0.5545 1099SOL H219425 3.085 3.710 0.324 2.2907 1.8477 0.2713 1100SOL OH219426 1.522 5.091 1.453 -0.0940 -0.7656 -0.3372 1100SOL H119427 1.618 5.092 1.460 -0.0593 -0.3928 -0.8125 1100SOL H219428 1.492 5.058 1.538 0.5082 -2.3331 -0.7099 1101SOL OH219429 4.057 2.067 2.013 0.1316 0.1133 -0.3152 1101SOL H119430 3.961 2.065 2.010 0.0034 2.1874 0.6428 1101SOL H219431 4.084 1.984 1.974 -2.0406 -0.3491 -0.9689 1102SOL OH219432 4.680 5.264 2.258 0.4998 0.5230 0.0972 1102SOL H119433 4.700 5.340 2.203 0.8205 0.6453 0.3793 1102SOL H219434 4.677 5.299 2.347 -2.8641 0.9049 -0.0476 1103SOL OH219435 0.985 3.686 0.495 0.2649 -0.6653 0.1994 1103SOL H119436 1.018 3.771 0.467 -0.9213 -0.0862 0.5359 1103SOL H219437 1.030 3.624 0.437 1.3519 0.1466 0.1372 1104SOL OH219438 5.078 1.575 0.071 0.4652 0.2760 0.1757 1104SOL H119439 5.090 1.558 0.165 -0.9944 0.9154 0.5079 1104SOL H219440 5.039 1.495 0.037 -1.8482 1.0541 0.7703 1105SOL OH219441 0.674 2.731 7.860 0.0526 -0.0967 0.4472 1105SOL H119442 0.633 2.817 7.853 -1.3810 -0.8381 -0.7816 1105SOL H219443 0.601 2.670 7.874 0.9110 -1.2626 0.0482 1106SOL OH219444 5.631 4.272 1.620 0.2781 -0.2554 -0.0841 1106SOL H119445 5.566 4.208 1.648 1.6983 -1.1963 1.2329 1106SOL H219446 5.601 4.355 1.658 -1.2589 -0.2020 -1.3099 1107SOL OH219447 1.299 5.538 7.068 0.3803 -0.2543 0.6884 1107SOL H119448 1.387 5.503 7.087 0.2241 0.0470 2.0642 1107SOL H219449 1.302 5.629 7.097 0.2701 0.4649 -1.3535 1108SOL OH219450 1.949 1.154 0.614 -0.0294 0.2853 -0.0084 1108SOL H119451 2.010 1.201 0.557 0.4798 -0.5563 -0.1653 1108SOL H219452 1.986 1.161 0.701 0.4866 -0.5130 -0.1524 1109SOL OH219453 1.372 4.256 0.578 -0.4246 0.3480 -0.1391 1109SOL H119454 1.380 4.347 0.549 0.1089 0.2057 -0.4579 1109SOL H219455 1.388 4.259 0.672 -2.3632 0.8441 0.2117 1110SOL OH219456 0.071 4.349 6.533 -0.0306 -0.3253 -0.2289 1110SOL H119457 0.112 4.372 6.617 1.6927 -1.4826 -0.6798 1110SOL H219458 0.050 4.433 6.492 2.5330 0.4095 -0.2057 1111SOL OH219459 0.103 0.750 7.116 0.2936 -0.2067 0.4462 1111SOL H119460 0.186 0.755 7.163 -0.2985 0.4028 1.4782 1111SOL H219461 0.092 0.837 7.078 0.4402 -0.4911 -0.2610 1112SOL OH219462 4.088 5.158 1.096 -0.3588 0.3428 -0.0816 1112SOL H119463 4.001 5.161 1.135 -0.9970 0.4001 -1.4747 1112SOL H219464 4.135 5.091 1.147 -1.9314 -1.3453 -0.7376 1113SOL OH219465 2.149 0.893 0.542 0.2235 0.3067 0.1392 1113SOL H119466 2.148 0.828 0.471 -0.3087 -1.3349 1.5934 1113SOL H219467 2.204 0.964 0.508 1.6073 -1.2946 -1.1566 1114SOL OH219468 5.799 3.691 1.778 0.2189 0.0177 -0.2365 1114SOL H119469 5.814 3.780 1.746 1.4831 0.0766 0.4367 1114SOL H219470 5.830 3.692 1.869 -1.0778 -0.7527 0.2564 1115SOL OH219471 5.382 2.610 0.202 0.0330 0.1142 0.1144 1115SOL H119472 5.433 2.535 0.230 0.3305 -1.0913 -3.1858 1115SOL H219473 5.418 2.633 0.116 -2.1819 1.9701 -0.4381 1116SOL OH219474 6.062 1.108 0.961 -0.5258 0.2274 0.1036 1116SOL H119475 6.087 1.136 0.873 -1.2345 0.1207 -0.1386 1116SOL H219476 5.999 1.175 0.990 -0.7093 -0.0318 0.3113 1117SOL OH219477 1.206 4.771 0.719 0.2407 0.2536 0.2153 1117SOL H119478 1.154 4.794 0.796 0.0887 -0.9055 0.4761 1117SOL H219479 1.280 4.721 0.754 1.0513 1.0922 -0.2436 1118SOL OH219480 5.239 4.323 6.301 0.0607 0.1181 0.4110 1118SOL H119481 5.308 4.339 6.365 -0.5945 1.5137 0.8266 1118SOL H219482 5.254 4.388 6.233 1.2644 -1.8941 -1.3734 1119SOL OH219483 5.937 2.487 2.346 0.1652 0.4272 -0.2143 1119SOL H119484 5.872 2.535 2.396 0.6490 1.2023 -0.3077 1119SOL H219485 5.888 2.449 2.273 -0.4086 -0.1044 0.4276 1120SOL OH219486 2.511 2.608 1.396 -0.3407 -0.3595 -0.3857 1120SOL H119487 2.499 2.526 1.347 1.1458 -0.5952 -0.3822 1120SOL H219488 2.547 2.580 1.480 -0.4041 0.2581 -0.1544 1121SOL OH219489 4.807 3.348 6.414 0.0111 -0.3395 0.3030 1121SOL H119490 4.901 3.345 6.397 -0.1279 -1.0827 -0.3648 1121SOL H219491 4.784 3.441 6.405 0.5452 -0.2582 -0.2569 1122SOL OH219492 3.752 3.951 7.017 0.8507 -0.1653 -0.6858 1122SOL H119493 3.731 4.018 7.082 1.7834 -0.5453 0.0155 1122SOL H219494 3.728 3.991 6.933 0.0732 0.5031 -0.1569 1123SOL OH219495 2.268 0.536 0.184 0.5873 -0.1013 -1.0729 1123SOL H119496 2.268 0.465 0.248 0.2047 0.3641 -0.5517 1123SOL H219497 2.218 0.501 0.110 0.1938 -0.2918 -0.7218 1124SOL OH219498 4.533 4.777 8.122 0.1229 0.7190 -0.3669 1124SOL H119499 4.488 4.840 8.178 0.9681 1.9859 -1.0531 1124SOL H219500 4.475 4.767 8.046 -0.8815 -0.7751 0.5363 1125SOL OH219501 0.947 5.796 6.089 0.2136 0.7167 0.5290 1125SOL H119502 0.909 5.717 6.053 -3.2832 2.1139 0.7666 1125SOL H219503 0.988 5.768 6.171 -1.0319 -0.8294 0.6671 1126SOL OH219504 0.316 2.613 7.655 -0.2984 -0.3596 0.0249 1126SOL H119505 0.326 2.520 7.635 0.0890 -0.6002 1.2661 1126SOL H219506 0.237 2.617 7.708 -0.5691 0.0898 -0.4044 1127SOL OH219507 2.950 3.794 0.018 -0.0632 0.1522 0.2706 1127SOL H119508 3.006 3.788 0.095 1.1653 0.5441 -0.5686 1127SOL H219509 2.861 3.801 0.054 0.3439 -1.0638 1.6102 1128SOL OH219510 4.973 3.684 1.482 -0.7346 0.0103 -0.1213 1128SOL H119511 4.935 3.598 1.466 -0.0637 -0.3233 0.0413 1128SOL H219512 4.949 3.736 1.405 -0.8508 -0.4215 -0.3768 1129SOL OH219513 5.271 1.421 0.971 -0.1098 -0.2790 -0.3222 1129SOL H119514 5.297 1.345 0.920 -3.5783 -1.8524 -0.0196 1129SOL H219515 5.236 1.385 1.052 0.5315 1.8578 0.9993 1130SOL OH219516 0.153 5.124 8.008 0.0993 0.3696 0.2650 1130SOL H119517 0.167 5.069 8.085 3.4983 2.1748 1.1418 1130SOL H219518 0.157 5.214 8.041 -0.5393 1.2063 -1.7531 1131SOL OH219519 2.069 2.042 2.235 0.1699 0.3365 -0.5228 1131SOL H119520 2.043 2.081 2.319 -2.7667 0.1155 -1.2230 1131SOL H219521 2.152 2.086 2.213 1.0399 0.4208 2.4212 1132SOL OH219522 0.044 3.735 8.132 0.2832 0.5436 -0.3554 1132SOL H119523 -0.048 3.716 8.117 0.7607 -2.3381 -0.1681 1132SOL H219524 0.051 3.751 8.226 0.3243 -2.3682 0.2420 1133SOL OH219525 4.293 4.968 8.160 0.6525 -0.1163 -0.6060 1133SOL H119526 4.283 5.006 8.072 -2.0920 0.6879 -0.0323 1133SOL H219527 4.242 4.887 8.157 -2.4859 1.6053 1.0903 1134SOL OH219528 4.794 3.527 1.090 -0.7943 0.3359 0.5444 1134SOL H119529 4.743 3.574 1.024 0.9417 1.5282 -0.0385 1134SOL H219530 4.842 3.596 1.136 1.6388 -0.7621 -0.1598 1135SOL OH219531 0.641 4.045 7.997 -0.5596 0.0637 -0.3504 1135SOL H119532 0.724 4.028 8.042 -0.7152 0.7667 0.2244 1135SOL H219533 0.666 4.098 7.921 -0.5078 0.5221 -0.0187 1136SOL OH219534 2.142 4.190 0.997 -0.0419 -0.0330 0.4628 1136SOL H119535 2.232 4.221 1.009 -0.5619 1.3599 0.9411 1136SOL H219536 2.148 4.128 0.925 1.3967 -0.4024 0.8589 1137SOL OH219537 5.275 5.367 7.631 0.0274 -0.7168 -0.2672 1137SOL H119538 5.217 5.335 7.701 -0.2048 -1.2877 -0.7158 1137SOL H219539 5.342 5.417 7.678 0.7792 -2.3799 0.5530 1138SOL OH219540 5.021 0.208 0.853 -0.3964 0.1065 -0.4595 1138SOL H119541 4.945 0.199 0.796 -0.6145 -2.2305 0.1173 1138SOL H219542 5.012 0.137 0.917 1.2560 0.9853 0.8278 1139SOL OH219543 0.509 0.523 7.705 0.1463 -0.1090 0.1982 1139SOL H119544 0.457 0.446 7.728 -0.1158 -0.3301 -1.0754 1139SOL H219545 0.518 0.518 7.610 -0.8809 2.0491 -0.0636 1140SOL OH219546 0.887 1.993 0.735 0.4487 0.0495 -0.1407 1140SOL H119547 0.857 2.062 0.794 -0.2779 0.8088 -1.3496 1140SOL H219548 0.981 2.009 0.726 0.5191 0.0812 0.5967 1141SOL OH219549 4.389 2.060 0.918 0.4720 -0.1595 -0.0928 1141SOL H119550 4.310 2.031 0.871 0.1856 0.8068 -0.2264 1141SOL H219551 4.371 2.151 0.942 0.7855 -0.4902 1.5313 1142SOL OH219552 1.133 1.488 1.374 0.4002 -0.5004 0.4085 1142SOL H119553 1.167 1.557 1.431 -2.2916 2.1080 -0.8846 1142SOL H219554 1.163 1.514 1.286 -0.6363 -0.9803 -0.0967 1143SOL OH219555 0.582 3.342 7.144 -0.1424 -0.0144 0.1700 1143SOL H119556 0.626 3.416 7.185 2.2200 -0.9599 -0.4792 1143SOL H219557 0.552 3.288 7.217 0.6338 0.1995 0.6597 1144SOL OH219558 4.159 2.782 2.381 -0.0802 -0.4003 -0.4100 1144SOL H119559 4.166 2.714 2.314 0.3378 -1.6368 0.8342 1144SOL H219560 4.068 2.776 2.410 0.3127 -1.4499 0.6890 1145SOL OH219561 2.256 3.549 7.088 0.2109 -0.2876 0.3393 1145SOL H119562 2.268 3.549 6.993 -0.4036 0.1697 0.2604 1145SOL H219563 2.321 3.612 7.120 0.1923 -0.1903 0.1897 1146SOL OH219564 3.813 5.977 0.555 0.2566 -0.2485 0.1914 1146SOL H119565 3.728 5.986 0.598 1.2463 -1.6823 2.6873 1146SOL H219566 3.824 5.882 0.544 1.2241 -0.0457 -0.7609 1147SOL OH219567 1.247 0.950 1.953 -0.0190 -0.1758 0.5785 1147SOL H119568 1.275 1.019 1.893 0.6664 -1.5384 -0.7386 1147SOL H219569 1.325 0.895 1.963 -0.6523 -0.9499 1.3179 1148SOL OH219570 2.173 5.051 0.115 -0.0890 -0.7445 -0.6410 1148SOL H119571 2.194 4.959 0.132 1.5638 -0.1640 0.7766 1148SOL H219572 2.257 5.091 0.091 -0.2515 0.8665 1.1948 1149SOL OH219573 2.414 2.895 7.814 0.1960 -0.2857 -0.3098 1149SOL H119574 2.510 2.896 7.819 0.1764 1.3352 0.7802 1149SOL H219575 2.395 2.903 7.721 1.1791 1.5408 -0.4027 1150SOL OH219576 4.819 4.024 1.467 -0.5634 -0.4205 0.2913 1150SOL H119577 4.788 4.110 1.439 1.1718 0.1924 0.1159 1150SOL H219578 4.891 4.004 1.407 -2.3517 -3.0673 -1.1796 1151SOL OH219579 0.252 2.246 1.209 0.1508 -0.4011 0.4647 1151SOL H119580 0.293 2.212 1.130 1.0176 1.2245 0.1730 1151SOL H219581 0.318 2.304 1.247 -0.7434 -0.1458 1.6849 1152SOL OH219582 4.747 2.254 0.188 -0.5814 0.0806 0.2028 1152SOL H119583 4.734 2.349 0.194 -0.3164 0.0964 0.5929 1152SOL H219584 4.841 2.244 0.171 -0.4419 -0.1352 1.0619 1153SOL OH219585 1.989 1.718 8.166 0.4070 -0.0458 0.9269 1153SOL H119586 2.034 1.729 8.083 1.0924 2.3573 1.5386 1153SOL H219587 2.054 1.678 8.224 0.9217 0.9930 1.0859 1154SOL OH219588 0.958 5.870 6.952 0.2503 -0.2123 0.3502 1154SOL H119589 1.007 5.831 7.024 0.5880 1.5470 1.1102 1154SOL H219590 1.024 5.905 6.893 -0.0593 0.1613 0.2188 1155SOL OH219591 5.464 1.337 1.503 -0.9096 0.5255 0.3686 1155SOL H119592 5.442 1.332 1.596 -0.1637 2.6513 0.7199 1155SOL H219593 5.554 1.369 1.502 -0.1910 -1.3609 -1.1006 1156SOL OH219594 2.025 0.798 6.669 -0.3221 0.4506 -0.0923 1156SOL H119595 2.069 0.872 6.710 0.3933 -0.1852 0.3211 1156SOL H219596 2.076 0.779 6.591 0.9264 -1.0713 1.0393 1157SOL OH219597 0.026 4.334 1.940 0.1975 -0.0671 -0.0170 1157SOL H119598 0.043 4.371 2.026 -0.5717 2.2978 -0.8152 1157SOL H219599 0.113 4.324 1.901 0.4121 2.1557 -0.2198 1158SOL OH219600 0.150 0.025 7.521 -0.2925 -0.0482 0.3075 1158SOL H119601 0.230 0.076 7.514 0.0332 -0.4711 0.9261 1158SOL H219602 0.080 0.089 7.503 0.1924 0.2092 -0.7353 1159SOL OH219603 4.354 5.418 6.946 0.2395 -0.6818 0.6608 1159SOL H119604 4.268 5.460 6.953 0.9955 0.8627 1.3503 1159SOL H219605 4.358 5.384 6.857 -0.2774 1.1447 -0.0994 1160SOL OH219606 2.498 2.791 1.625 0.0441 0.5138 -0.1905 1160SOL H119607 2.468 2.754 1.542 -0.7503 -0.2044 0.4069 1160SOL H219608 2.434 2.859 1.645 -0.2186 0.1535 0.2161 1161SOL OH219609 4.992 5.837 7.425 0.3418 -0.2124 -0.3711 1161SOL H119610 5.028 5.803 7.507 -0.2113 -1.1928 -0.5083 1161SOL H219611 4.923 5.897 7.452 0.8331 0.2444 -0.1206 1162SOL OH219612 3.033 3.416 7.469 -1.0708 0.0588 -0.2598 1162SOL H119613 3.011 3.507 7.487 -0.4896 0.3893 -1.1411 1162SOL H219614 2.978 3.365 7.529 0.1446 1.0335 1.7963 1163SOL OH219615 5.040 0.330 0.503 0.5465 0.1959 0.3310 1163SOL H119616 4.991 0.362 0.579 2.2219 -1.9899 2.4758 1163SOL H219617 5.009 0.240 0.491 1.2732 0.0766 -0.7631 1164SOL OH219618 2.982 3.877 1.463 0.0050 -0.2808 -0.0922 1164SOL H119619 2.994 3.786 1.491 -1.5441 -0.6726 -0.5835 1164SOL H219620 3.070 3.911 1.451 0.6037 -1.8084 -0.1726 1165SOL OH219621 3.710 5.249 0.183 -0.2037 0.3166 -0.2768 1165SOL H119622 3.662 5.217 0.259 2.0230 -2.6984 0.0686 1165SOL H219623 3.683 5.191 0.112 0.9488 0.2455 -0.6759 1166SOL OH219624 4.801 0.993 6.879 -0.4006 0.2231 -0.2577 1166SOL H119625 4.851 1.022 6.802 2.4534 -2.0901 0.5499 1166SOL H219626 4.764 0.909 6.854 -2.3180 0.9881 -0.1387 1167SOL OH219627 0.986 5.154 1.339 0.1636 0.8860 -0.3480 1167SOL H119628 1.011 5.062 1.328 0.2694 0.9728 -0.8747 1167SOL H219629 1.038 5.185 1.412 -2.0787 -0.2851 1.8873 1168SOL OH219630 2.612 1.948 8.303 -0.2009 -0.2240 -0.8561 1168SOL H119631 2.539 1.959 8.242 0.5658 0.2398 -1.7198 1168SOL H219632 2.609 2.026 8.358 -0.2719 -0.1316 -0.9906 1169SOL OH219633 0.123 0.587 0.494 0.0878 0.3295 0.2528 1169SOL H119634 0.050 0.624 0.544 0.8696 1.9495 0.2483 1169SOL H219635 0.087 0.573 0.406 -0.4316 0.3495 0.4580 1170SOL OH219636 5.870 2.877 7.872 -0.3307 0.0990 -0.1838 1170SOL H119637 5.907 2.964 7.884 -1.1298 0.1734 2.2847 1170SOL H219638 5.802 2.890 7.806 1.4202 0.7076 -1.9537 1171SOL OH219639 5.694 2.323 7.204 0.3445 0.1198 -0.5846 1171SOL H119640 5.625 2.296 7.144 -1.1676 -1.3190 1.6532 1171SOL H219641 5.716 2.243 7.252 2.0779 1.0304 0.2160 1172SOL OH219642 4.252 3.106 1.733 -0.6304 0.6136 0.3387 1172SOL H119643 4.216 3.194 1.723 -2.6617 -0.3833 -2.1502 1172SOL H219644 4.319 3.100 1.664 0.8069 0.7540 1.6718 1173SOL OH219645 1.703 5.871 2.363 0.0278 -0.0566 0.4105 1173SOL H119646 1.615 5.878 2.400 0.4409 0.8070 1.2835 1173SOL H219647 1.759 5.849 2.437 0.5638 -0.5536 -0.1284 1174SOL OH219648 3.084 4.249 1.939 -0.6500 -0.2827 -0.1943 1174SOL H119649 3.038 4.166 1.929 0.8537 -1.1449 -0.2086 1174SOL H219650 3.062 4.298 1.860 -1.8579 -0.5050 -0.0050 1175SOL OH219651 0.322 2.937 0.043 0.4220 0.3941 -0.2105 1175SOL H119652 0.257 2.900 -0.017 -0.0025 0.4862 0.1835 1175SOL H219653 0.406 2.923 -0.000 0.2648 -0.8982 -0.1383 1176SOL OH219654 4.648 5.832 0.579 -0.4255 0.0140 -0.2545 1176SOL H119655 4.630 5.919 0.613 -0.5101 0.2025 -0.7692 1176SOL H219656 4.575 5.778 0.608 -0.6554 0.2445 -0.4103 1177SOL OH219657 5.742 3.712 0.882 0.1897 0.2579 -0.4315 1177SOL H119658 5.756 3.728 0.975 -1.9159 -0.2882 0.0208 1177SOL H219659 5.741 3.616 0.874 1.3671 0.2819 -1.2229 1178SOL OH219660 2.026 4.393 1.731 -0.1918 -0.7099 0.4607 1178SOL H119661 2.072 4.414 1.650 0.2541 -2.2167 0.2935 1178SOL H219662 2.095 4.364 1.791 -0.3027 1.6674 1.9038 1179SOL OH219663 5.919 2.229 7.668 0.1383 -0.7194 -0.3774 1179SOL H119664 5.871 2.250 7.748 -0.1560 0.3453 -0.8246 1179SOL H219665 6.006 2.265 7.683 0.3637 -1.3314 -0.1760 1180SOL OH219666 5.121 3.972 7.332 -0.1832 0.1315 0.2104 1180SOL H119667 5.044 4.017 7.297 -0.2430 -0.4289 -0.4149 1180SOL H219668 5.183 4.042 7.351 -0.7806 0.5745 0.5482 1181SOL OH219669 5.036 3.720 0.741 -0.1776 -0.3187 0.4409 1181SOL H119670 5.071 3.689 0.658 0.8393 -1.3469 1.2147 1181SOL H219671 4.941 3.716 0.730 -0.0550 -0.7535 -0.5614 1182SOL OH219672 2.324 2.526 0.223 0.6247 -0.5470 -0.5213 1182SOL H119673 2.268 2.472 0.280 -0.1537 0.3220 -0.4473 1182SOL H219674 2.412 2.517 0.260 0.0832 0.2595 1.0164 1183SOL OH219675 5.294 0.049 1.551 -0.2112 -0.3713 -0.1121 1183SOL H119676 5.368 0.107 1.571 -0.7213 0.1768 0.2368 1183SOL H219677 5.282 -0.002 1.631 -1.7726 1.2907 0.7787 1184SOL OH219678 1.379 4.969 1.972 -0.4976 0.5208 0.0432 1184SOL H119679 1.295 5.013 1.962 -1.2544 -0.8735 0.0429 1184SOL H219680 1.357 4.881 2.002 1.0169 0.4310 1.0175 1185SOL OH219681 2.873 4.446 -0.001 -0.0470 0.0634 0.5349 1185SOL H119682 2.820 4.424 0.075 -0.2912 -0.1964 0.2905 1185SOL H219683 2.843 4.534 -0.026 0.0286 0.1455 0.7327 1186SOL OH219684 2.886 4.668 1.156 0.2243 0.3036 -0.3583 1186SOL H119685 2.864 4.576 1.171 -1.1386 0.6266 -0.2875 1186SOL H219686 2.945 4.666 1.081 0.0325 -0.6112 -0.5018 1187SOL OH219687 5.611 0.585 1.669 0.3950 -0.2260 -0.1008 1187SOL H119688 5.688 0.626 1.630 0.8378 1.1176 2.0454 1187SOL H219689 5.636 0.568 1.760 -1.7848 0.1855 0.6349 1188SOL OH219690 3.333 3.544 8.144 -0.1010 0.5596 -0.0468 1188SOL H119691 3.392 3.501 8.083 -0.1983 0.7640 -0.2865 1188SOL H219692 3.353 3.504 8.229 -0.0690 0.1685 -0.2359 1189SOL OH219693 2.235 4.329 1.913 -0.0694 -0.4401 0.5454 1189SOL H119694 2.228 4.424 1.907 -0.1164 -0.4678 0.1616 1189SOL H219695 2.268 4.313 2.001 -1.6152 -0.1492 1.2135 1190SOL OH219696 1.511 3.220 7.744 -0.2139 -0.2666 -0.2000 1190SOL H119697 1.581 3.284 7.731 -0.9931 0.7101 0.3018 1190SOL H219698 1.451 3.262 7.806 -1.5881 -0.7886 -1.1126 1191SOL OH219699 1.652 4.238 0.101 -0.2155 -0.3630 -0.5478 1191SOL H119700 1.718 4.306 0.115 0.4506 -1.0158 -0.4592 1191SOL H219701 1.615 4.222 0.188 -1.7376 1.2051 -0.8384 1192SOL OH219702 0.818 2.062 1.094 -0.3946 0.2068 -0.3687 1192SOL H119703 0.805 2.113 1.014 0.7938 1.8827 0.4418 1192SOL H219704 0.751 2.095 1.155 -0.6806 -0.3751 -0.3671 1193SOL OH219705 1.578 3.617 1.093 0.1968 0.7744 0.2591 1193SOL H119706 1.484 3.616 1.111 -0.1027 -0.8779 -1.0921 1193SOL H219707 1.616 3.665 1.166 -1.6259 0.8681 1.2073 1194SOL OH219708 2.393 2.572 1.013 0.0935 -0.2407 0.3300 1194SOL H119709 2.446 2.624 0.952 -0.1245 -0.4019 0.0010 1194SOL H219710 2.389 2.625 1.092 -0.5108 0.4557 -0.1578 1195SOL OH219711 0.291 3.191 7.344 0.3269 0.0548 0.1742 1195SOL H119712 0.224 3.213 7.279 -0.6192 -1.5371 0.5276 1195SOL H219713 0.241 3.173 7.423 1.3971 1.1019 1.1161 1196SOL OH219714 1.915 1.131 0.136 0.3708 -0.0483 -0.1648 1196SOL H119715 1.998 1.131 0.088 -0.5746 0.3080 -1.8851 1196SOL H219716 1.877 1.217 0.119 -0.9311 -0.6539 -0.4580 1197SOL OH219717 0.377 4.260 6.400 -0.6406 0.1536 0.2044 1197SOL H119718 0.472 4.273 6.391 -0.5448 0.9221 1.8986 1197SOL H219719 0.341 4.349 6.402 -1.4513 -0.1365 -0.6866 1198SOL OH219720 4.648 2.191 7.812 -0.6475 0.4386 0.1659 1198SOL H119721 4.589 2.127 7.771 2.3382 -1.1250 -2.0487 1198SOL H219722 4.664 2.256 7.743 -1.5028 2.1227 1.5015 1199SOL OH219723 1.771 4.292 0.817 -0.2098 0.4584 -0.5478 1199SOL H119724 1.765 4.235 0.740 0.9662 -0.5602 0.0913 1199SOL H219725 1.757 4.380 0.782 -1.4465 -0.1413 -1.6522 1200SOL OH219726 0.917 5.462 2.106 0.4825 -0.0736 0.0450 1200SOL H119727 1.003 5.447 2.067 -0.5381 0.3123 -2.5463 1200SOL H219728 0.936 5.496 2.193 2.9638 0.4241 -0.6210 1201SOL OH219729 5.616 5.838 7.409 -0.1985 -0.6613 -0.3005 1201SOL H119730 5.553 5.901 7.442 0.3551 0.1340 -0.7326 1201SOL H219731 5.570 5.791 7.340 -1.1675 -1.9232 1.1498 1202SOL OH219732 0.015 0.664 1.936 0.2150 0.0157 0.0294 1202SOL H119733 0.034 0.578 1.974 0.5977 -0.1064 -0.4424 1202SOL H219734 0.045 0.727 2.002 -1.0709 -0.2092 0.8677 1203SOL OH219735 1.781 0.492 0.722 -0.0065 -0.4605 -0.3911 1203SOL H119736 1.764 0.582 0.749 2.5857 0.5018 -1.5508 1203SOL H219737 1.761 0.491 0.628 -3.0872 -2.0719 0.1517 1204SOL OH219738 4.703 2.817 6.965 -0.0682 -0.4240 0.2954 1204SOL H119739 4.677 2.885 6.903 -0.6292 0.0908 1.0785 1204SOL H219740 4.797 2.806 6.949 -0.1766 -0.2279 -0.5643 1205SOL OH219741 1.443 4.720 6.810 -0.2456 -0.0523 -0.3918 1205SOL H119742 1.388 4.797 6.795 -0.1898 1.0431 3.7652 1205SOL H219743 1.528 4.745 6.776 -1.0090 0.3498 -2.1050 1206SOL OH219744 3.271 1.641 0.214 0.4844 -0.5912 0.1015 1206SOL H119745 3.226 1.658 0.298 2.2452 0.2324 0.9282 1206SOL H219746 3.267 1.725 0.168 -1.1063 -1.2264 -1.0125 1207SOL OH219747 0.306 1.966 7.188 -0.2193 0.2873 -0.3196 1207SOL H119748 0.273 2.014 7.113 1.4879 -0.5852 -1.7182 1207SOL H219749 0.305 1.874 7.161 2.3126 0.1144 -0.1549 1208SOL OH219750 1.123 0.957 2.811 -0.2735 -0.4804 0.0212 1208SOL H119751 1.149 0.893 2.878 -0.5382 0.1064 0.6933 1208SOL H219752 1.028 0.965 2.823 -0.0092 1.5175 1.2979 1209SOL OH219753 0.120 3.454 6.406 0.0398 -0.3042 -0.0534 1209SOL H119754 0.053 3.430 6.342 -1.3777 -0.3799 1.3749 1209SOL H219755 0.174 3.376 6.415 -1.2768 -1.1731 0.6395 1210SOL OH219756 1.544 5.504 5.992 0.0772 0.1331 0.1785 1210SOL H119757 1.588 5.429 6.033 1.7574 1.4782 0.9516 1210SOL H219758 1.564 5.494 5.899 -2.1254 -1.8672 -0.1927 1211SOL OH219759 4.610 4.983 1.095 -0.0251 0.2889 -0.3064 1211SOL H119760 4.628 5.068 1.054 0.1826 1.1702 1.5303 1211SOL H219761 4.605 5.002 1.188 -0.8647 -1.5878 0.0747 1212SOL OH219762 4.470 5.568 2.159 0.0719 0.1289 -0.1898 1212SOL H119763 4.465 5.657 2.194 1.5738 0.5949 -1.0476 1212SOL H219764 4.562 5.559 2.132 -0.5251 -0.9561 -1.9962 1213SOL OH219765 1.798 1.891 8.019 0.2850 0.5491 -0.0133 1213SOL H119766 1.828 1.816 7.968 1.7004 0.8447 0.3320 1213SOL H219767 1.807 1.864 8.111 -0.2362 0.7597 0.1061 1214SOL OH219768 5.645 3.203 7.523 0.1582 -0.2099 0.2881 1214SOL H119769 5.579 3.271 7.514 1.3330 0.8555 -0.6543 1214SOL H219770 5.695 3.207 7.442 1.7262 -0.5958 1.1873 1215SOL OH219771 2.022 5.007 6.445 -0.3812 -0.5499 -0.0937 1215SOL H119772 1.968 5.003 6.365 -0.7563 -0.8908 0.1758 1215SOL H219773 1.976 4.952 6.508 -0.4293 0.2209 0.5634 1216SOL OH219774 0.967 4.320 0.203 0.0823 -0.4398 -0.1245 1216SOL H119775 0.898 4.379 0.172 1.0107 1.4499 1.2675 1216SOL H219776 0.986 4.349 0.292 1.1453 -2.3500 0.3242 1217SOL OH219777 2.894 1.987 6.989 -0.1880 -0.4153 -0.0140 1217SOL H119778 2.972 2.014 7.037 -1.2093 0.5429 1.1818 1217SOL H219779 2.927 1.932 6.918 1.5140 -0.5489 0.8308 1218SOL OH219780 0.108 2.472 1.888 -0.6497 -0.0034 0.1748 1218SOL H119781 0.093 2.555 1.932 2.1481 0.5162 0.3833 1218SOL H219782 0.107 2.494 1.794 -2.1821 -0.2345 0.1126 1219SOL OH219783 1.407 3.534 7.774 0.2281 0.3996 -0.3546 1219SOL H119784 1.362 3.471 7.718 -2.5708 0.3704 1.7765 1219SOL H219785 1.490 3.491 7.795 0.2824 -0.6441 -2.3909 1220SOL OH219786 2.531 0.184 7.222 0.0628 0.4480 0.2277 1220SOL H119787 2.623 0.195 7.195 0.5069 -1.8234 0.5947 1220SOL H219788 2.534 0.186 7.317 -0.3459 0.7963 0.2350 1221SOL OH219789 2.413 3.397 2.394 0.1034 0.6700 -0.5113 1221SOL H119790 2.477 3.351 2.447 -0.2169 0.3665 -0.3849 1221SOL H219791 2.422 3.489 2.419 -1.8732 0.2750 2.0982 1222SOL OH219792 2.360 0.816 8.217 -0.5105 -0.2014 -0.4417 1222SOL H119793 2.279 0.864 8.204 -0.2176 0.4588 0.1084 1222SOL H219794 2.399 0.810 8.130 -2.1699 -2.4457 -1.1341 1223SOL OH219795 1.744 2.154 8.095 -0.2097 -0.3135 0.0759 1223SOL H119796 1.729 2.064 8.064 -1.7441 0.1195 -0.5547 1223SOL H219797 1.703 2.209 8.028 1.6645 0.9329 -0.1176 1224SOL OH219798 5.883 1.624 7.230 0.0705 -0.3664 -0.0727 1224SOL H119799 5.843 1.639 7.144 0.1471 -0.6494 -0.1583 1224SOL H219800 5.836 1.549 7.266 0.8253 -1.0050 -0.3740 1225SOL OH219801 5.168 2.039 1.029 -0.0528 -0.2249 -0.1450 1225SOL H119802 5.087 2.059 0.982 -0.5618 -0.5728 0.5736 1225SOL H219803 5.164 1.945 1.045 0.9566 -0.4124 -0.9503 1226SOL OH219804 3.275 3.263 1.592 0.0053 -0.0667 -0.1882 1226SOL H119805 3.370 3.266 1.608 -0.3924 -0.3386 2.7610 1226SOL H219806 3.245 3.352 1.609 -0.6578 -0.7141 2.4886 1227SOL OH219807 3.233 3.186 2.269 -0.2350 -0.1438 -0.1372 1227SOL H119808 3.229 3.097 2.306 0.3103 -0.0533 0.1493 1227SOL H219809 3.158 3.231 2.307 -0.0602 -0.2513 0.3506 1228SOL OH219810 5.398 5.444 0.096 -0.0970 0.0684 0.4009 1228SOL H119811 5.344 5.524 0.095 1.7512 1.3899 -0.6135 1228SOL H219812 5.406 5.420 0.003 0.2682 -0.6730 0.6178 1229SOL OH219813 2.287 3.051 7.094 0.4011 0.0007 0.5857 1229SOL H119814 2.382 3.051 7.105 0.6053 -0.6633 -0.9272 1229SOL H219815 2.267 2.965 7.058 -0.6294 0.4996 -0.0965 1230SOL OH219816 2.271 1.703 1.094 0.0228 -0.5267 -0.4234 1230SOL H119817 2.355 1.667 1.065 1.0584 0.4998 1.1842 1230SOL H219818 2.253 1.774 1.032 1.2178 0.3633 0.2210 1231SOL OH219819 1.966 3.566 1.919 -0.2009 -0.3961 -0.1869 1231SOL H119820 1.998 3.498 1.979 -0.1657 -1.1283 -1.0204 1231SOL H219821 2.041 3.625 1.908 -0.4605 0.2124 1.1201 1232SOL OH219822 1.552 0.744 8.228 0.4047 -0.0237 0.2841 1232SOL H119823 1.505 0.772 8.307 0.1209 -0.1359 0.1566 1232SOL H219824 1.559 0.649 8.238 1.2709 0.0665 0.6640 1233SOL OH219825 4.301 4.748 2.029 -0.0308 0.3977 -0.6987 1233SOL H119826 4.380 4.756 2.082 -0.5057 -0.6026 0.2009 1233SOL H219827 4.288 4.835 1.991 0.6615 0.9685 0.3358 1234SOL OH219828 5.364 3.464 1.226 0.0752 0.3482 0.6801 1234SOL H119829 5.379 3.382 1.274 1.8438 0.9967 1.3267 1234SOL H219830 5.429 3.525 1.262 2.6918 0.4775 -3.5743 1235SOL OH219831 4.224 3.102 8.015 -0.0604 0.6856 -0.2936 1235SOL H119832 4.156 3.108 8.082 0.5623 -0.6048 0.4765 1235SOL H219833 4.181 3.059 7.941 0.4715 -2.3429 1.0407 1236SOL OH219834 3.154 2.719 1.075 -0.4461 -0.3000 0.2145 1236SOL H119835 3.201 2.733 0.993 0.2372 -1.0711 0.4712 1236SOL H219836 3.137 2.807 1.108 1.4812 -0.0032 0.4956 1237SOL OH219837 1.481 2.539 0.217 -0.0436 0.2048 -0.0563 1237SOL H119838 1.537 2.612 0.191 -1.3510 0.5795 -1.9998 1237SOL H219839 1.413 2.579 0.271 -2.2067 0.9817 -3.1405 1238SOL OH219840 3.248 3.056 1.406 0.1895 -0.2042 0.1553 1238SOL H119841 3.337 3.021 1.415 1.1724 2.2474 0.9873 1238SOL H219842 3.243 3.124 1.473 -2.8006 -1.0902 0.9801 1239SOL OH219843 4.835 4.652 7.467 -0.0527 -0.3764 0.3322 1239SOL H119844 4.772 4.659 7.539 1.6840 0.5443 1.8379 1239SOL H219845 4.783 4.673 7.388 -1.2368 2.5700 1.7177 1240SOL OH219846 4.955 3.944 6.744 0.0184 0.2132 0.1702 1240SOL H119847 4.892 3.888 6.700 -0.1794 0.6526 -0.1193 1240SOL H219848 4.917 3.959 6.831 0.4000 -0.6372 0.4907 1241SOL OH219849 5.527 2.930 7.939 0.3156 1.1295 -0.4543 1241SOL H119850 5.463 2.993 7.971 0.5083 1.0018 0.1922 1241SOL H219851 5.609 2.956 7.981 0.5258 0.8164 -0.6639 1242SOL OH219852 3.156 5.081 1.197 0.3714 -0.1472 -0.2780 1242SOL H119853 3.144 5.147 1.265 -0.8156 -0.5068 -0.1153 1242SOL H219854 3.150 5.129 1.114 1.4448 0.2295 -0.1592 1243SOL OH219855 1.472 0.249 1.445 -0.1661 0.3247 -0.0983 1243SOL H119856 1.522 0.316 1.492 1.1105 -1.0353 0.5476 1243SOL H219857 1.414 0.211 1.512 -0.7080 0.5962 -0.4055 1244SOL OH219858 2.063 2.077 1.254 -0.1531 -0.0399 0.4826 1244SOL H119859 2.034 2.087 1.345 -0.0630 -1.5953 0.7013 1244SOL H219860 1.987 2.040 1.209 -0.2445 0.8464 -0.1360 1245SOL OH219861 3.289 1.388 0.865 0.1084 -0.1385 -0.7740 1245SOL H119862 3.312 1.397 0.772 -0.2565 1.3304 -0.7450 1245SOL H219863 3.198 1.418 0.870 0.3330 0.4261 0.1595 1246SOL OH219864 0.499 2.901 2.143 -0.4264 -0.3374 -0.0297 1246SOL H119865 0.492 2.929 2.052 -1.4384 -0.8533 -0.1265 1246SOL H219866 0.423 2.845 2.157 0.4956 -1.4343 0.7276 1247SOL OH219867 3.681 1.470 7.381 0.3032 -0.2905 0.0652 1247SOL H119868 3.697 1.400 7.317 -0.8162 0.6254 -1.2954 1247SOL H219869 3.589 1.459 7.405 0.9606 -1.2503 2.3915 1248SOL OH219870 3.153 4.557 0.506 -0.1171 0.1216 -0.2536 1248SOL H119871 3.197 4.520 0.430 0.3529 0.9840 -0.4187 1248SOL H219872 3.225 4.578 0.566 -0.4474 -0.0764 0.2178 1249SOL OH219873 1.986 2.100 8.204 -0.0249 0.0761 -0.0559 1249SOL H119874 1.983 2.187 8.243 0.7419 0.7672 -1.4486 1249SOL H219875 1.913 2.099 8.142 1.3845 0.6703 -1.8175 1250SOL OH219876 4.479 1.987 7.710 -0.0814 0.0475 0.1709 1250SOL H119877 4.454 1.921 7.775 -1.3742 -0.3213 -0.6452 1250SOL H219878 4.532 1.938 7.646 -0.5075 -0.0648 -0.1010 1251SOL OH219879 2.684 4.865 7.255 0.2538 0.4597 0.0807 1251SOL H119880 2.608 4.871 7.197 0.8339 0.6728 -0.6791 1251SOL H219881 2.691 4.952 7.296 0.4196 0.6268 -0.2922 1252SOL OH219882 5.633 5.791 2.025 -0.4041 0.5338 0.4246 1252SOL H119883 5.623 5.805 1.931 -0.4917 -1.1156 0.1554 1252SOL H219884 5.594 5.704 2.041 0.1344 0.5274 1.8738 1253SOL OH219885 3.319 5.969 6.814 -0.3716 0.4416 0.0390 1253SOL H119886 3.342 5.997 6.725 -0.7853 -0.1661 -0.2675 1253SOL H219887 3.303 5.875 6.805 2.0040 -0.1620 1.2234 1254SOL OH219888 4.216 4.815 6.836 0.3108 0.4804 -0.1310 1254SOL H119889 4.154 4.767 6.781 -1.3397 2.4016 -0.0856 1254SOL H219890 4.275 4.859 6.775 0.7400 -0.2180 -0.2250 1255SOL OH219891 0.188 0.645 1.045 0.6665 0.1173 0.0565 1255SOL H119892 0.191 0.550 1.046 -1.5925 -0.0329 -1.4683 1255SOL H219893 0.263 0.671 0.990 0.1967 -0.8920 -1.1050 1256SOL OH219894 2.196 5.626 8.266 -0.4716 0.1458 0.2561 1256SOL H119895 2.275 5.615 8.214 -0.6873 0.6105 -0.1719 1256SOL H219896 2.166 5.537 8.284 0.4945 -0.0570 0.9624 1257SOL OH219897 3.746 2.863 0.973 -0.1127 -0.2631 -0.1320 1257SOL H119898 3.788 2.885 0.890 0.2668 3.0160 0.8034 1257SOL H219899 3.817 2.832 1.029 0.2357 0.7636 -0.0027 1258SOL OH219900 3.418 1.457 2.833 0.2337 0.0890 0.2187 1258SOL H119901 3.392 1.547 2.814 0.9544 0.1506 -0.5420 1258SOL H219902 3.363 1.403 2.776 0.7066 0.1298 -0.2814 1259SOL OH219903 3.784 2.035 1.985 0.7598 -0.2656 -0.1556 1259SOL H119904 3.782 1.939 1.993 0.6894 -0.1575 1.4403 1259SOL H219905 3.697 2.058 1.953 0.3377 -0.6638 0.6671 1260SOL OH219906 3.016 3.617 1.509 -0.2816 -0.2332 0.2743 1260SOL H119907 2.956 3.543 1.504 1.4150 -1.7700 1.3579 1260SOL H219908 3.062 3.617 1.425 -1.1436 0.3834 -0.2061 1261SOL OH219909 3.695 0.722 7.539 -0.2076 0.1289 0.5476 1261SOL H119910 3.657 0.792 7.593 1.7384 2.4040 -0.8163 1261SOL H219911 3.762 0.682 7.594 0.8419 1.5327 0.3642 1262SOL OH219912 3.611 4.793 7.175 0.2994 0.0787 0.2018 1262SOL H119913 3.576 4.861 7.232 -1.4579 0.4148 -1.2043 1262SOL H219914 3.551 4.790 7.100 0.9237 -2.2733 -0.3022 1263SOL OH219915 3.822 3.873 2.509 0.3923 -0.4762 0.3506 1263SOL H119916 3.860 3.936 2.449 0.5085 -0.0424 0.8693 1263SOL H219917 3.897 3.836 2.556 0.1802 0.6015 1.5912 1264SOL OH219918 5.705 1.012 7.562 -0.1208 0.1202 -0.0455 1264SOL H119919 5.700 1.099 7.522 1.6883 -0.4366 -1.6393 1264SOL H219920 5.697 0.952 7.489 0.4498 -1.0231 0.7996 1265SOL OH219921 5.319 4.201 7.115 -0.2724 0.3066 -0.0164 1265SOL H119922 5.310 4.208 7.210 3.0675 2.8090 0.3057 1265SOL H219923 5.253 4.261 7.080 0.6817 2.0235 0.9785 1266SOL OH219924 0.825 4.948 0.996 -0.4766 -0.6019 0.5032 1266SOL H119925 0.801 4.912 1.081 -2.2708 -1.8483 -0.4703 1266SOL H219926 0.755 5.010 0.975 -0.9005 -1.4572 -0.7180 1267SOL OH219927 1.340 3.249 1.452 -0.0602 0.4604 0.0749 1267SOL H119928 1.306 3.173 1.499 1.4048 0.8811 1.9432 1267SOL H219929 1.360 3.216 1.364 -0.3368 -1.0541 0.5485 1268SOL OH219930 0.672 5.372 7.861 0.2663 0.0642 0.2938 1268SOL H119931 0.620 5.417 7.928 1.2837 3.1169 -0.7857 1268SOL H219932 0.755 5.419 7.860 0.4531 -0.1682 -2.7567 1269SOL OH219933 5.374 0.425 1.359 -0.1400 -0.3499 -0.0670 1269SOL H119934 5.469 0.434 1.353 -0.1685 0.8971 1.0028 1269SOL H219935 5.351 0.368 1.285 1.2930 0.2614 -1.0291 1270SOL OH219936 1.488 0.166 2.254 0.1999 -0.1218 -0.0251 1270SOL H119937 1.480 0.083 2.301 -0.1893 0.1537 0.3967 1270SOL H219938 1.446 0.231 2.310 2.3686 0.7665 0.6764 1271SOL OH219939 3.796 0.517 1.686 -0.2344 -0.5296 -0.0442 1271SOL H119940 3.806 0.612 1.682 0.7599 -0.6499 -0.6424 1271SOL H219941 3.756 0.501 1.772 0.6627 0.3291 0.5524 1272SOL OH219942 5.013 5.752 2.662 0.3199 0.0735 0.4319 1272SOL H119943 5.076 5.769 2.732 -0.3487 -0.3254 1.1486 1272SOL H219944 5.013 5.832 2.610 2.9699 -0.6515 -0.8598 1273SOL OH219945 4.737 4.064 1.730 0.0320 -0.3654 -0.6189 1273SOL H119946 4.726 3.982 1.779 -0.0848 -0.3481 -0.6147 1273SOL H219947 4.758 4.036 1.641 -0.9475 -0.4232 -0.8469 1274SOL OH219948 5.248 1.331 6.382 -0.1483 0.6046 -0.7988 1274SOL H119949 5.244 1.360 6.474 -0.3337 -0.6308 -0.3971 1274SOL H219950 5.330 1.368 6.350 0.5114 0.0976 0.2303 1275SOL OH219951 2.532 2.032 7.552 -0.1556 0.1447 -0.1157 1275SOL H119952 2.474 1.987 7.612 -0.2505 -0.5780 -0.7431 1275SOL H219953 2.620 2.012 7.584 -0.1148 -1.8921 -1.3197 1276SOL OH219954 2.575 1.426 7.316 0.4481 0.2573 -0.1907 1276SOL H119955 2.558 1.332 7.316 2.2841 -0.1192 -0.5705 1276SOL H219956 2.491 1.466 7.339 0.0897 -1.5640 2.0374 1277SOL OH219957 4.669 4.317 8.055 -0.5377 -0.0693 -0.0136 1277SOL H119958 4.755 4.276 8.062 -0.3822 0.3023 0.3046 1277SOL H219959 4.688 4.410 8.041 -0.8816 0.1099 0.6694 1278SOL OH219960 5.783 2.876 7.293 0.3454 -0.2127 -0.1080 1278SOL H119961 5.815 2.835 7.373 0.0667 -1.6511 -0.7047 1278SOL H219962 5.859 2.877 7.235 0.5608 0.8725 0.1722 1279SOL OH219963 0.482 1.426 2.450 -0.0747 -0.2651 -0.4052 1279SOL H119964 0.573 1.418 2.421 -0.1755 -1.2772 -0.4937 1279SOL H219965 0.483 1.496 2.514 0.7555 -0.1958 -0.4864 1280SOL OH219966 1.964 2.423 1.763 0.0459 0.7065 0.2000 1280SOL H119967 1.968 2.484 1.836 0.8860 0.7999 0.0872 1280SOL H219968 2.027 2.457 1.699 0.1369 0.0168 -0.0904 1281SOL OH219969 1.133 5.958 7.711 0.9205 0.3783 0.1355 1281SOL H119970 1.122 5.865 7.692 -0.0447 0.6572 -0.7857 1281SOL H219971 1.121 5.964 7.806 1.8779 -0.5387 0.3373 1282SOL OH219972 3.681 1.700 7.793 0.3435 -0.0817 -0.1226 1282SOL H119973 3.720 1.788 7.787 0.7113 -0.2343 -0.0109 1282SOL H219974 3.693 1.676 7.885 1.6753 -0.8925 -0.4795 1283SOL OH219975 1.081 3.598 2.606 0.3652 -0.4464 -0.5518 1283SOL H119976 1.104 3.516 2.562 0.6621 -0.5615 -0.1896 1283SOL H219977 1.164 3.629 2.642 0.1992 -0.1361 -0.4354 1284SOL OH219978 1.225 2.031 7.186 0.2642 -0.5397 0.4989 1284SOL H119979 1.170 2.056 7.112 0.1333 -0.8889 0.4753 1284SOL H219980 1.164 2.021 7.259 0.5693 1.3049 1.0531 1285SOL OH219981 4.404 3.326 1.506 -0.4392 -0.0868 -0.3918 1285SOL H119982 4.329 3.367 1.550 0.0808 0.4516 0.0122 1285SOL H219983 4.440 3.266 1.571 0.7242 1.1892 0.1859 1286SOL OH219984 4.475 4.904 0.857 0.2741 0.1212 -0.0140 1286SOL H119985 4.540 4.915 0.926 -0.8701 0.3833 1.0482 1286SOL H219986 4.473 4.989 0.812 1.1171 -0.0933 -0.4766 1287SOL OH219987 0.800 0.607 6.963 -0.0257 -0.1229 -0.2056 1287SOL H119988 0.714 0.575 6.990 0.5675 -1.1531 0.5556 1287SOL H219989 0.820 0.678 7.024 -0.1384 -0.2027 -0.0747 1288SOL OH219990 2.986 0.692 0.832 0.2644 -0.2824 0.2349 1288SOL H119991 2.977 0.737 0.916 1.5339 -0.6643 0.5974 1288SOL H219992 2.899 0.655 0.815 -0.8346 2.3018 -0.1118 1289SOL OH219993 2.242 2.147 7.573 -0.2717 0.4730 0.4554 1289SOL H119994 2.278 2.234 7.592 1.5130 -0.0078 -0.5575 1289SOL H219995 2.301 2.110 7.507 -1.2240 -1.3709 0.5750 1290SOL OH219996 3.540 5.516 1.732 -0.1529 -0.5282 -0.0087 1290SOL H119997 3.578 5.507 1.819 -0.1940 0.0533 0.0720 1290SOL H219998 3.461 5.569 1.745 -0.4282 -0.8472 -0.3298 1291SOL OH219999 1.796 4.918 7.763 0.3348 -0.0092 0.0541 1291SOL H120000 1.776 4.963 7.681 -1.5840 0.2090 0.6092 1291SOL H220001 1.769 4.828 7.748 1.0536 -0.2393 0.0850 1292SOL OH220002 2.975 1.043 0.116 -1.0573 0.1875 0.0322 1292SOL H120003 2.985 0.965 0.171 -0.4256 -0.5484 -1.0931 1292SOL H220004 3.053 1.044 0.062 -1.5987 0.9763 -0.7531 1293SOL OH220005 2.808 0.456 2.046 -0.4149 0.1352 0.1389 1293SOL H120006 2.715 0.431 2.046 -0.1444 -1.0113 -1.0637 1293SOL H220007 2.854 0.373 2.060 0.4418 0.6428 0.3607 1294SOL OH220008 0.826 3.136 6.738 -0.5467 -0.1283 -0.0529 1294SOL H120009 0.919 3.149 6.759 -0.9141 0.6619 1.1865 1294SOL H220010 0.798 3.221 6.702 -0.5552 -0.6868 -1.4273 1295SOL OH220011 1.966 4.678 0.112 -0.3164 0.4191 0.2618 1295SOL H120012 1.938 4.770 0.106 -0.3036 0.5673 2.0497 1295SOL H220013 2.053 4.677 0.073 -0.5113 1.0536 -0.2161 1296SOL OH220014 3.426 2.284 1.928 0.1376 -0.0117 -0.2636 1296SOL H120015 3.366 2.350 1.891 -1.4178 -1.2093 0.0097 1296SOL H220016 3.511 2.305 1.890 -0.6490 1.1366 -1.4888 1297SOL OH220017 1.555 1.164 1.635 0.6551 0.3943 -0.4148 1297SOL H120018 1.641 1.160 1.678 0.2806 -3.3170 0.3445 1297SOL H220019 1.493 1.173 1.708 0.2718 -0.2476 -0.6568 1298SOL OH220020 5.637 2.425 1.705 0.1769 -0.5074 0.1877 1298SOL H120021 5.724 2.389 1.720 0.9281 1.5408 1.1042 1298SOL H220022 5.583 2.387 1.775 0.4645 -1.2892 -0.0043 1299SOL OH220023 1.877 3.685 2.185 -0.0544 0.0955 -0.4629 1299SOL H120024 1.844 3.714 2.270 0.3234 -1.9128 0.4411 1299SOL H220025 1.842 3.596 2.174 2.4298 -0.9410 -0.8825 1300SOL OH220026 4.607 2.972 1.903 -0.8583 0.1446 0.2820 1300SOL H120027 4.574 2.937 1.986 0.6012 -0.2141 0.7280 1300SOL H220028 4.590 3.066 1.909 -2.3529 -0.0944 0.2189 1301SOL OH220029 5.197 0.504 6.086 0.3877 -0.2486 -0.4716 1301SOL H120030 5.122 0.550 6.048 0.3626 -0.1278 -0.2770 1301SOL H220031 5.158 0.427 6.128 0.4351 -0.4781 -0.8410 1302SOL OH220032 0.671 0.018 6.560 -0.3734 -0.1751 -0.2323 1302SOL H120033 0.674 0.104 6.520 -0.3097 0.1864 0.5285 1302SOL H220034 0.754 -0.023 6.535 -0.2885 0.0834 -0.3792 1303SOL OH220035 3.699 4.059 7.788 -0.1498 0.0518 -0.0962 1303SOL H120036 3.660 4.146 7.784 1.5256 0.8347 -0.5103 1303SOL H220037 3.731 4.051 7.878 0.6759 0.3396 -0.3549 1304SOL OH220038 3.110 4.647 8.291 0.0559 -0.2783 -0.6087 1304SOL H120039 3.152 4.686 8.368 -0.3579 0.9314 -0.9730 1304SOL H220040 3.095 4.555 8.315 -0.8614 0.2727 1.0872 1305SOL OH220041 3.393 0.169 8.075 0.2804 0.3621 0.3129 1305SOL H120042 3.314 0.222 8.061 1.1698 1.0579 -2.7898 1305SOL H220043 3.447 0.223 8.133 -0.1232 1.4353 -0.2814 1306SOL OH220044 5.745 5.436 7.525 -0.1643 0.4624 -0.0370 1306SOL H120045 5.687 5.373 7.568 0.2799 0.5063 0.6436 1306SOL H220046 5.724 5.520 7.565 2.1862 0.1108 2.2533 1307SOL OH220047 3.415 3.373 0.492 0.6697 0.3469 0.3361 1307SOL H120048 3.499 3.378 0.446 0.5508 1.5272 0.2356 1307SOL H220049 3.438 3.375 0.585 0.7475 0.8816 0.3079 1308SOL OH220050 5.264 4.204 7.377 0.3922 -0.0712 -0.0210 1308SOL H120051 5.214 4.278 7.342 -0.6218 -1.0695 -0.7442 1308SOL H220052 5.279 4.227 7.469 -0.3691 0.7874 -0.0976 1309SOL OH220053 0.433 5.492 7.161 0.0713 -0.0041 -0.0114 1309SOL H120054 0.518 5.526 7.134 0.0526 1.0102 1.1395 1309SOL H220055 0.395 5.561 7.215 -0.2171 -1.6184 1.9742 1310SOL OH220056 1.862 3.153 7.814 0.1725 0.1068 -0.3909 1310SOL H120057 1.952 3.181 7.827 -0.2217 0.5913 1.4517 1310SOL H220058 1.809 3.231 7.831 -0.6752 -0.5853 0.2408 1311SOL OH220059 4.854 1.130 0.488 0.0669 -0.1742 0.0706 1311SOL H120060 4.785 1.086 0.438 -1.2488 -0.1606 1.7941 1311SOL H220061 4.922 1.063 0.498 -0.3031 -0.6395 -0.4257 1312SOL OH220062 0.171 4.764 7.703 -0.3119 0.2037 -0.1288 1312SOL H120063 0.099 4.714 7.742 -1.0988 1.2090 -0.2390 1312SOL H220064 0.195 4.715 7.625 0.3165 -1.0694 0.8236 1313SOL OH220065 5.211 5.131 7.211 0.2471 -0.6631 -0.6801 1313SOL H120066 5.142 5.161 7.270 -1.0972 -2.0086 -1.4993 1313SOL H220067 5.251 5.057 7.258 1.6148 0.5027 0.0722 1314SOL OH220068 0.486 1.084 7.698 -0.0017 -0.7787 0.1719 1314SOL H120069 0.511 1.000 7.660 -0.5088 -0.5085 -0.7970 1314SOL H220070 0.527 1.149 7.642 -0.9058 -0.3647 -0.0320 1315SOL OH220071 0.427 0.617 0.862 0.6066 -0.3186 -0.0866 1315SOL H120072 0.483 0.687 0.829 0.5936 -0.1999 0.1434 1315SOL H220073 0.376 0.589 0.786 -0.3807 0.8573 0.1201 1316SOL OH220074 2.494 0.290 1.786 -0.5208 -0.4136 0.1153 1316SOL H120075 2.403 0.303 1.814 -0.3214 0.0302 0.5929 1316SOL H220076 2.546 0.326 1.859 0.0305 -0.4060 -0.2781 1317SOL OH220077 2.423 3.067 2.473 -1.2323 0.2305 0.1673 1317SOL H120078 2.467 3.139 2.518 2.8732 -2.1217 0.5136 1317SOL H220079 2.367 3.027 2.539 -0.1340 0.5407 1.3279 1318SOL OH220080 3.359 0.809 7.844 -0.0101 0.2569 -0.0097 1318SOL H120081 3.271 0.783 7.816 -0.2394 -0.7215 1.5044 1318SOL H220082 3.389 0.737 7.899 1.0072 1.3934 0.9929 1319SOL OH220083 1.368 0.895 7.363 -0.4622 -0.3740 -0.3029 1319SOL H120084 1.328 0.815 7.398 0.7606 -1.0036 -0.2894 1319SOL H220085 1.294 0.953 7.346 -1.3498 -1.3726 0.0231 1320SOL OH220086 3.246 4.760 0.182 0.8863 -1.4327 -0.1137 1320SOL H120087 3.255 4.855 0.195 1.8864 -0.9082 -3.4489 1320SOL H220088 3.323 4.723 0.225 -0.3632 -1.0279 2.6819 1321SOL OH220089 5.892 5.005 7.611 -0.1849 0.4218 0.4782 1321SOL H120090 5.909 5.090 7.571 0.9230 0.1033 0.2321 1321SOL H220091 5.963 4.995 7.675 0.8339 -1.1269 -0.8135 1322SOL OH220092 4.087 3.886 7.905 -0.8106 -0.3410 -0.3190 1322SOL H120093 4.162 3.944 7.901 -0.2960 -0.9395 0.5645 1322SOL H220094 4.019 3.937 7.949 -0.3287 -0.4428 0.5487 1323SOL OH220095 0.750 0.658 7.543 -0.5740 -0.2869 0.5790 1323SOL H120096 0.753 0.592 7.475 -1.9533 -1.5020 1.6402 1323SOL H220097 0.832 0.647 7.591 0.2229 0.3124 -0.5957 1324SOL OH220098 0.238 4.040 6.250 0.7010 -0.0834 0.5303 1324SOL H120099 0.292 4.109 6.289 1.2230 -0.4882 0.5433 1324SOL H220100 0.301 3.972 6.225 0.4593 0.4389 -1.6580 1325SOL OH220101 2.705 0.370 0.928 -0.8830 0.4753 -0.3474 1325SOL H120102 2.663 0.436 0.873 -3.0722 0.0599 0.6840 1325SOL H220103 2.671 0.287 0.895 0.2105 0.0036 -0.3134 1326SOL OH220104 0.538 0.399 0.607 -0.1393 -0.0143 -0.1644 1326SOL H120105 0.605 0.434 0.665 0.7255 0.3791 -1.3618 1326SOL H220106 0.461 0.454 0.623 -0.6921 -1.3489 2.2414 1327SOL OH220107 4.994 1.255 7.123 0.3603 -0.3290 0.1103 1327SOL H120108 5.036 1.339 7.104 -1.5907 1.0187 1.2960 1327SOL H220109 5.035 1.193 7.063 1.3568 1.6306 -1.3521 1328SOL OH220110 2.023 1.031 7.169 -0.1917 -0.3081 0.0812 1328SOL H120111 2.061 1.108 7.128 -0.0041 -1.0268 -1.1473 1328SOL H220112 1.934 1.026 7.132 0.1554 -1.2531 -0.6787 1329SOL OH220113 0.819 4.987 1.582 -0.1222 -0.0411 -0.0393 1329SOL H120114 0.865 5.044 1.520 -0.6174 0.2374 -0.1502 1329SOL H220115 0.890 4.940 1.627 0.4177 1.9869 1.3656 1330SOL OH220116 5.883 3.220 6.516 0.2716 -0.0369 -0.5604 1330SOL H120117 5.866 3.278 6.590 -0.9819 0.4893 -1.2273 1330SOL H220118 5.854 3.269 6.439 -0.8065 -1.5048 -1.1567 1331SOL OH220119 1.441 4.734 7.082 0.1465 0.6987 -0.0706 1331SOL H120120 1.439 4.713 6.989 0.1414 -1.4148 0.3518 1331SOL H220121 1.528 4.770 7.097 0.4892 0.1592 -0.7289 1332SOL OH220122 0.343 5.148 6.373 -0.4663 0.4775 0.1008 1332SOL H120123 0.426 5.191 6.393 -0.6908 0.8108 0.3215 1332SOL H220124 0.304 5.202 6.305 -1.0003 0.9445 0.7620 1333SOL OH220125 5.240 4.191 8.109 0.0785 0.0104 0.0914 1333SOL H120126 5.162 4.245 8.103 0.0619 -0.0754 -0.5662 1333SOL H220127 5.226 4.122 8.044 1.1472 0.5918 -0.7991 1334SOL OH220128 3.271 4.050 7.989 -0.1257 -0.3491 0.3186 1334SOL H120129 3.266 4.002 8.072 0.0114 -0.3683 0.3156 1334SOL H220130 3.345 4.110 8.000 0.1498 -0.6394 0.0590 1335SOL OH220131 5.815 4.445 1.413 0.2492 -0.2884 0.8355 1335SOL H120132 5.888 4.408 1.463 0.0075 -0.5529 0.9965 1335SOL H220133 5.737 4.418 1.461 0.0441 -0.0128 0.6595 1336SOL OH220134 2.047 4.538 0.443 0.6351 0.0030 0.2158 1336SOL H120135 1.987 4.609 0.420 1.3223 0.7635 0.7476 1336SOL H220136 2.085 4.564 0.527 0.2642 -1.4081 0.8450 1337SOL OH220137 0.111 5.301 2.635 -0.4432 0.0743 -0.3453 1337SOL H120138 0.199 5.313 2.600 0.8210 -0.6106 2.3288 1337SOL H220139 0.085 5.213 2.606 0.8302 -0.7382 0.8529 1338SOL OH220140 4.003 3.101 8.191 0.1040 0.0619 -0.2197 1338SOL H120141 3.962 3.182 8.223 1.3040 0.4793 0.3389 1338SOL H220142 4.043 3.063 8.269 -0.1507 -0.8979 -0.5476 1339SOL OH220143 3.990 4.894 7.894 -0.4479 -0.5403 0.1511 1339SOL H120144 3.955 4.978 7.866 0.1736 -0.3460 -0.0497 1339SOL H220145 4.051 4.869 7.824 2.6783 0.9008 2.1572 1340SOL OH220146 4.393 4.426 2.220 -0.2634 -0.3649 0.8503 1340SOL H120147 4.476 4.446 2.263 0.1407 -3.2777 1.5970 1340SOL H220148 4.327 4.465 2.278 0.4515 -0.7754 1.9809 1341SOL OH220149 5.103 0.312 2.778 0.0403 0.5416 -0.3975 1341SOL H120150 5.143 0.280 2.697 0.9415 -1.3463 0.7261 1341SOL H220151 5.042 0.243 2.803 -1.2880 1.7441 -0.1538 1342SOL OH220152 2.450 2.495 2.256 -0.1543 0.0028 0.5668 1342SOL H120153 2.418 2.583 2.278 -0.2624 0.1798 -0.2837 1342SOL H220154 2.410 2.475 2.172 0.2836 -0.6533 0.5097 1343SOL OH220155 3.301 4.878 7.429 0.1048 -0.0544 0.0338 1343SOL H120156 3.347 4.939 7.371 -2.4933 1.1768 -0.8952 1343SOL H220157 3.336 4.792 7.406 1.7034 0.7831 -0.8158 1344SOL OH220158 1.427 2.793 6.723 0.0800 0.0844 0.4769 1344SOL H120159 1.398 2.795 6.632 -0.3942 0.5628 0.6293 1344SOL H220160 1.520 2.771 6.719 0.2534 0.9108 -0.1758 1345SOL OH220161 1.245 2.436 8.002 -0.6032 -0.5123 -0.1614 1345SOL H120162 1.286 2.407 8.083 2.6118 -0.3205 -1.5865 1345SOL H220163 1.245 2.358 7.946 -1.3693 -0.2579 -0.5233 1346SOL OH220164 0.098 1.969 0.171 0.5550 -0.1065 0.0683 1346SOL H120165 0.181 1.975 0.124 0.1210 -0.1722 -0.7214 1346SOL H220166 0.121 1.929 0.255 1.2796 -0.4055 -0.2624 1347SOL OH220167 3.617 0.696 6.509 -0.8021 -0.0806 0.4499 1347SOL H120168 3.563 0.689 6.430 2.3177 0.0610 -1.8997 1347SOL H220169 3.652 0.608 6.523 -0.6841 0.0728 1.1671 1348SOL OH220170 4.966 3.220 1.886 0.3307 0.5326 0.2132 1348SOL H120171 4.892 3.183 1.839 -0.0697 -1.2387 2.0700 1348SOL H220172 4.945 3.313 1.897 -0.3607 0.6007 -1.4902 1349SOL OH220173 3.991 1.925 0.040 0.4324 0.0266 0.4250 1349SOL H120174 4.065 1.985 0.035 -0.2461 0.8195 -0.5072 1349SOL H220175 4.007 1.861 -0.030 0.0768 0.3892 0.0108 1350SOL OH220176 3.500 2.647 1.959 0.4271 -0.0163 -0.6420 1350SOL H120177 3.558 2.638 2.035 0.3289 1.6774 -0.3158 1350SOL H220178 3.433 2.709 1.988 -1.7200 -2.0666 -0.9332 1351SOL OH220179 1.107 2.655 0.852 -0.5880 -0.1563 -0.0925 1351SOL H120180 1.082 2.686 0.765 -1.4252 -1.4024 -0.3233 1351SOL H220181 1.025 2.625 0.891 -0.2261 0.4000 1.1515 1352SOL OH220182 1.152 1.235 2.486 -0.4429 0.3423 -0.6300 1352SOL H120183 1.194 1.257 2.569 -0.5919 -1.2317 -0.0995 1352SOL H220184 1.206 1.165 2.450 -0.5402 0.8231 -1.7420 1353SOL OH220185 2.067 5.615 1.690 0.3291 -0.7008 -0.4742 1353SOL H120186 2.073 5.705 1.723 0.2157 -0.8474 -0.0354 1353SOL H220187 2.074 5.623 1.595 1.7900 -0.3532 -0.3652 1354SOL OH220188 6.037 1.454 7.729 -0.1197 0.3633 -0.0244 1354SOL H120189 6.063 1.415 7.646 -0.6887 -0.3817 0.1403 1354SOL H220190 6.006 1.541 7.706 3.5745 1.8293 -0.1284 1355SOL OH220191 6.026 2.213 1.239 0.2242 0.2144 0.0078 1355SOL H120192 6.007 2.221 1.146 -1.1245 1.5430 0.3720 1355SOL H220193 6.117 2.243 1.247 0.4981 -0.3216 -0.9191 1356SOL OH220194 4.263 2.805 7.538 -0.0093 -0.0017 -0.8365 1356SOL H120195 4.343 2.800 7.590 0.4813 2.4142 -1.2664 1356SOL H220196 4.292 2.796 7.447 -0.7263 -2.8792 -0.9039 1357SOL OH220197 2.836 5.373 0.128 -0.6550 0.3740 0.2300 1357SOL H120198 2.888 5.317 0.070 -0.3550 -0.5038 1.2942 1357SOL H220199 2.755 5.390 0.080 0.5873 1.7835 -1.4722 1358SOL OH220200 0.800 3.049 1.770 0.1000 -0.1817 -0.2892 1358SOL H120201 0.711 3.084 1.773 0.3297 0.3863 0.0306 1358SOL H220202 0.792 2.960 1.804 -0.8280 -1.2040 -2.9299 1359SOL OH220203 4.115 5.983 7.025 -0.1788 -0.7341 -0.1206 1359SOL H120204 4.188 5.980 7.087 -1.3383 -1.0564 1.2740 1359SOL H220205 4.138 5.919 6.958 1.8062 0.6819 -0.8997 1360SOL OH220206 0.708 2.218 0.630 -0.2093 -0.2601 -0.1538 1360SOL H120207 0.673 2.192 0.545 0.6901 -0.6550 -0.4101 1360SOL H220208 0.796 2.252 0.610 -1.1695 2.7316 0.1730 1361SOL OH220209 4.999 5.559 1.901 -0.1871 -0.2024 0.1234 1361SOL H120210 5.003 5.463 1.891 0.3219 -0.1163 -0.5201 1361SOL H220211 5.018 5.573 1.994 -0.6998 -0.7533 0.3195 1362SOL OH220212 1.057 5.464 1.744 0.3741 0.2260 0.4676 1362SOL H120213 1.097 5.418 1.817 0.6534 1.7028 1.2808 1362SOL H220214 1.089 5.418 1.666 0.9897 -0.6512 1.2231 1363SOL OH220215 5.310 0.455 8.245 -0.0314 0.3449 -0.0885 1363SOL H120216 5.405 0.460 8.240 0.1397 -0.8158 1.2653 1363SOL H220217 5.289 0.479 8.336 -0.8402 -1.2928 0.2014 1364SOL OH220218 2.042 0.542 7.063 -0.1435 0.2727 0.2080 1364SOL H120219 2.118 0.500 7.103 0.6265 -0.5977 -1.9924 1364SOL H220220 1.976 0.544 7.132 1.3642 -0.3246 1.7396 1365SOL OH220221 1.310 0.564 1.095 0.1755 -0.1059 0.2899 1365SOL H120222 1.275 0.513 1.169 -2.1985 -0.5263 -1.0345 1365SOL H220223 1.347 0.498 1.037 -2.6270 -0.4513 -1.2808 1366SOL OH220224 2.582 4.071 2.383 0.3206 0.1870 0.3458 1366SOL H120225 2.504 4.055 2.330 0.0105 -1.3989 1.2220 1366SOL H220226 2.646 4.007 2.352 1.1300 1.1627 -0.0465 1367SOL OH220227 0.385 0.806 6.669 -0.1532 -0.0026 -0.1691 1367SOL H120228 0.308 0.751 6.657 -1.1805 0.9643 1.5700 1367SOL H220229 0.352 0.885 6.711 1.5209 1.2709 -1.1200 1368SOL OH220230 1.457 1.183 8.027 -0.2919 -0.3549 -0.0722 1368SOL H120231 1.401 1.260 8.022 0.2890 0.0199 -0.9203 1368SOL H220232 1.493 1.172 7.939 -0.9712 -2.0693 -0.1890 1369SOL OH220233 0.979 2.964 1.999 -0.2678 -0.1715 0.0378 1369SOL H120234 0.922 2.888 1.993 -0.0390 -0.3905 0.5392 1369SOL H220235 0.919 3.038 2.009 -0.4678 -0.4180 0.7224 1370SOL OH220236 0.774 0.681 1.192 -0.3703 -0.2423 0.1661 1370SOL H120237 0.840 0.625 1.231 0.2636 -0.0746 -0.6428 1370SOL H220238 0.714 0.621 1.148 1.3053 -0.2690 -2.2572 1371SOL OH220239 5.099 1.401 1.649 0.6439 0.4715 0.6776 1371SOL H120240 5.158 1.406 1.574 -0.2298 0.7393 -0.0166 1371SOL H220241 5.060 1.313 1.642 0.1740 0.6887 0.5000 1372SOL OH220242 4.646 0.109 6.995 0.1894 -0.1618 0.3847 1372SOL H120243 4.630 0.194 6.954 -0.6661 -1.2793 -1.7419 1372SOL H220244 4.717 0.071 6.944 0.5948 -0.7153 1.3473 1373SOL OH220245 5.543 0.401 0.793 0.2431 -0.1552 -0.5314 1373SOL H120246 5.459 0.376 0.754 -0.4006 0.2033 0.6071 1373SOL H220247 5.553 0.494 0.772 -0.3367 0.1604 0.5546 1374SOL OH220248 3.625 2.651 7.665 -0.1533 -0.5430 -0.5042 1374SOL H120249 3.572 2.718 7.623 0.4959 -0.2225 -0.8342 1374SOL H220250 3.681 2.698 7.725 0.2507 -0.7921 -0.6784 1375SOL OH220251 4.849 0.424 2.468 0.1640 -0.0477 0.1405 1375SOL H120252 4.773 0.474 2.440 0.2739 0.0176 -0.0431 1375SOL H220253 4.826 0.333 2.449 1.0027 0.1346 -2.0390 1376SOL OH220254 3.812 4.402 7.365 -0.1923 -0.1531 -0.4696 1376SOL H120255 3.774 4.434 7.283 -0.5349 -0.0319 -0.2635 1376SOL H220256 3.830 4.480 7.416 0.3062 -0.2108 -0.5469 1377SOL OH220257 5.324 3.736 8.071 -0.4587 -0.1098 0.3672 1377SOL H120258 5.356 3.685 8.145 -0.7016 -1.2557 -0.2880 1377SOL H220259 5.397 3.738 8.009 -0.2617 0.8266 0.6109 1378SOL OH220260 0.230 0.651 8.171 -0.0627 0.4244 -0.2961 1378SOL H120261 0.240 0.701 8.252 2.3599 0.4174 -0.5089 1378SOL H220262 0.214 0.716 8.103 -1.0964 0.5130 0.0153 1379SOL OH220263 0.171 5.920 7.857 -0.2335 -0.1111 -0.2961 1379SOL H120264 0.194 5.943 7.767 0.8880 -1.3001 -0.3466 1379SOL H220265 0.158 6.004 7.901 0.5213 0.5220 -1.2412 1380SOL OH220266 4.823 2.908 6.627 0.2543 -0.8626 0.5289 1380SOL H120267 4.766 2.930 6.553 0.2510 -2.3552 0.0502 1380SOL H220268 4.822 2.987 6.682 -0.9588 -0.2651 -0.2855 1381SOL OH220269 4.874 3.976 7.008 0.3585 -0.0301 0.4007 1381SOL H120270 4.878 3.885 7.039 -0.1969 0.3849 1.7532 1381SOL H220271 4.782 4.000 7.013 -0.0621 -0.3809 -3.0968 1382SOL OH220272 3.502 0.163 7.421 -0.0093 -0.2132 0.2767 1382SOL H120273 3.487 0.255 7.444 -0.0051 -0.6824 2.3650 1382SOL H220274 3.597 0.154 7.418 -0.0069 -0.1864 0.2723 1383SOL OH220275 3.060 5.866 8.139 -0.1395 -0.2860 -0.3946 1383SOL H120276 3.034 5.867 8.231 0.4795 2.0444 -0.1851 1383SOL H220277 3.149 5.829 8.140 -0.1632 -0.3429 -0.0687 1384SOL OH220278 0.988 3.688 0.067 -0.5612 -0.0529 -0.2930 1384SOL H120279 1.047 3.641 0.126 0.6461 1.0800 -0.5746 1384SOL H220280 1.038 3.700 -0.013 -0.6829 2.0132 -0.1094 1385SOL OH220281 2.441 0.403 7.533 0.9266 -0.2344 0.3213 1385SOL H120282 2.496 0.325 7.534 1.7337 0.3265 0.6530 1385SOL H220283 2.462 0.448 7.614 0.4903 0.3460 0.1158 1386SOL OH220284 4.090 5.585 6.958 -0.0998 -0.3005 0.0531 1386SOL H120285 4.018 5.603 6.899 1.0448 0.2234 -1.2347 1386SOL H220286 4.162 5.638 6.926 1.2046 -1.6451 0.6074 1387SOL OH220287 1.504 0.333 0.348 -0.0085 -0.0890 -0.4946 1387SOL H120288 1.422 0.285 0.339 -1.4401 2.1188 0.1500 1387SOL H220289 1.515 0.346 0.442 1.1978 -0.4868 -0.5553 1388SOL OH220290 0.281 5.865 1.781 -0.1295 -0.2926 -0.0023 1388SOL H120291 0.245 5.889 1.695 -0.2838 -0.8280 -0.0867 1388SOL H220292 0.366 5.825 1.761 -0.9166 -2.0281 -0.0520 1389SOL OH220293 4.151 3.999 7.077 -0.0526 0.3189 -0.0170 1389SOL H120294 4.245 3.982 7.076 0.0888 1.0392 -0.0783 1389SOL H220295 4.122 3.985 6.987 -0.0200 0.0129 0.0207 1390SOL OH220296 1.883 1.465 2.273 0.3277 0.0344 -0.3646 1390SOL H120297 1.803 1.422 2.303 -1.0487 2.0754 -0.8357 1390SOL H220298 1.878 1.460 2.177 -1.0050 2.8650 -0.5755 1391SOL OH220299 5.755 3.297 2.464 0.0918 0.2693 -0.4089 1391SOL H120300 5.694 3.251 2.522 -0.9210 -0.5014 -2.0148 1391SOL H220301 5.838 3.298 2.512 -0.7420 -0.1594 1.1192 1392SOL OH220302 2.994 2.661 7.981 0.1550 -0.0451 -0.3289 1392SOL H120303 2.983 2.736 8.039 1.3634 2.1794 -2.7742 1392SOL H220304 3.026 2.591 8.037 0.3224 1.6720 1.8284 1393SOL OH220305 2.959 4.823 7.554 -0.0910 0.1353 0.3174 1393SOL H120306 2.920 4.909 7.539 0.4838 0.1397 -1.2874 1393SOL H220307 3.044 4.843 7.596 -0.4667 0.2712 1.0329 1394SOL OH220308 3.832 1.835 0.247 -0.7929 0.2359 0.2008 1394SOL H120309 3.845 1.740 0.241 -1.4903 0.0983 0.7601 1394SOL H220310 3.906 1.872 0.199 -0.2785 -0.5836 0.3296 1395SOL OH220311 2.743 3.277 8.121 0.3190 -0.3240 -0.0688 1395SOL H120312 2.730 3.201 8.177 -1.4248 -0.7937 -1.0432 1395SOL H220313 2.808 3.330 8.167 -0.8110 -0.8254 2.2457 1396SOL OH220314 1.070 2.771 0.615 -0.3381 0.0987 0.0606 1396SOL H120315 0.992 2.745 0.565 -0.5386 -0.2121 0.5266 1396SOL H220316 1.143 2.734 0.565 -0.3816 1.4804 -1.0792 1397SOL OH220317 3.519 2.015 1.864 0.3012 0.7624 -0.2786 1397SOL H120318 3.489 1.930 1.833 0.7494 1.4921 -2.9658 1397SOL H220319 3.449 2.045 1.923 -0.5163 -0.8366 -0.3855 1398SOL OH220320 4.027 2.638 0.341 -0.0301 -0.1733 0.5933 1398SOL H120321 3.935 2.613 0.333 -0.3813 1.1764 0.1969 1398SOL H220322 4.060 2.638 0.251 0.2501 -0.2350 0.6944 1399SOL OH220323 2.589 4.194 1.765 -0.7051 0.3374 -0.0473 1399SOL H120324 2.601 4.163 1.855 -0.5400 -0.8108 -0.4468 1399SOL H220325 2.619 4.121 1.711 -2.1462 0.4503 -1.0518 1400SOL OH220326 5.784 3.303 7.283 -0.3130 0.0174 0.2397 1400SOL H120327 5.802 3.282 7.192 1.0020 -1.1124 0.7230 1400SOL H220328 5.690 3.317 7.286 -0.0536 3.1479 -1.8515 1401SOL OH220329 5.680 5.329 7.964 0.0125 -0.0237 0.2788 1401SOL H120330 5.762 5.280 7.966 0.6591 0.9980 -0.3699 1401SOL H220331 5.634 5.297 7.887 1.1855 1.5053 -1.1291 1402SOL OH220332 3.724 3.105 7.191 0.0310 -0.0582 -0.3311 1402SOL H120333 3.694 3.188 7.153 -1.5457 -0.1414 0.6570 1402SOL H220334 3.775 3.130 7.268 -0.2216 0.0124 -0.1850 1403SOL OH220335 0.816 2.660 2.255 -0.5654 -0.2736 -0.2773 1403SOL H120336 0.890 2.635 2.201 -0.3260 0.1718 -0.1561 1403SOL H220337 0.801 2.752 2.236 -0.5853 -0.1526 0.2879 1404SOL OH220338 0.130 5.603 1.625 -0.4307 0.2251 0.5264 1404SOL H120339 0.089 5.621 1.541 1.0163 -1.2382 -0.5687 1404SOL H220340 0.216 5.645 1.620 0.0688 -0.7113 0.8337 1405SOL OH220341 4.408 3.921 6.776 0.1718 0.3777 -0.0110 1405SOL H120342 4.437 3.876 6.697 0.9251 -0.2762 0.6167 1405SOL H220343 4.314 3.905 6.779 0.4058 -1.1757 0.1726 1406SOL OH220344 3.076 0.138 1.552 -0.2105 -0.4437 -0.5970 1406SOL H120345 3.111 0.162 1.466 -0.8035 -0.9354 -0.9869 1406SOL H220346 2.987 0.173 1.552 -0.2985 -0.6664 -0.2768 1407SOL OH220347 1.336 2.993 0.093 0.4883 -0.2797 -0.2674 1407SOL H120348 1.417 3.024 0.135 -0.0512 -0.0122 0.5908 1407SOL H220349 1.273 3.062 0.110 -0.0509 -0.7066 -0.5283 1408SOL OH220350 2.904 5.646 0.177 -0.1873 -0.0900 -0.0196 1408SOL H120351 2.999 5.642 0.170 -0.2674 -1.1247 -0.7032 1408SOL H220352 2.874 5.557 0.158 -1.4463 0.7615 -2.5395 1409SOL OH220353 3.902 5.751 1.480 -0.2267 0.8773 0.1349 1409SOL H120354 3.811 5.726 1.496 -0.5002 0.5158 -1.7859 1409SOL H220355 3.896 5.837 1.439 0.1518 0.0945 -1.6463 1410SOL OH220356 2.497 2.640 7.590 -0.0338 -0.1358 -0.1176 1410SOL H120357 2.432 2.638 7.661 0.4814 -2.4138 0.3586 1410SOL H220358 2.477 2.721 7.543 -2.4366 -0.1335 0.7300 1411SOL OH220359 5.122 3.368 0.251 -0.0101 0.2140 0.6072 1411SOL H120360 5.101 3.326 0.168 0.0680 -3.5611 2.3026 1411SOL H220361 5.214 3.394 0.242 -0.1377 0.3033 -0.6137 1412SOL OH220362 2.822 4.050 1.061 -0.7215 0.5871 -0.1642 1412SOL H120363 2.880 3.976 1.078 1.6069 1.8842 -1.8607 1412SOL H220364 2.739 4.011 1.035 1.0950 -1.5686 -3.2933 1413SOL OH220365 2.542 0.176 0.780 -0.0521 -0.9240 -0.0481 1413SOL H120366 2.583 0.223 0.707 -0.1087 -0.2608 0.3361 1413SOL H220367 2.464 0.136 0.741 -0.4153 -0.0755 -0.2347 1414SOL OH220368 4.459 0.168 0.161 0.0669 0.1540 0.0037 1414SOL H120369 4.490 0.198 0.075 1.1313 0.8712 0.6173 1414SOL H220370 4.499 0.229 0.223 -1.7736 0.4690 0.9271 1415SOL OH220371 0.752 4.658 0.391 0.0531 -0.1821 -0.4005 1415SOL H120372 0.783 4.686 0.478 -2.1068 1.6764 -0.1222 1415SOL H220373 0.813 4.699 0.330 0.9650 -0.6210 0.1764 1416SOL OH220374 5.170 3.206 7.123 0.0156 0.4037 0.0934 1416SOL H120375 5.242 3.202 7.059 -0.9459 0.6444 -1.0323 1416SOL H220376 5.162 3.116 7.154 -0.1670 0.0609 -0.8974 1417SOL OH220377 1.088 4.825 0.962 -0.1202 -0.3345 -0.5530 1417SOL H120378 1.095 4.751 1.022 2.1320 0.0712 -0.2274 1417SOL H220379 0.998 4.856 0.972 -0.0381 -0.7412 2.0614 1418SOL OH220380 0.465 2.129 7.787 -0.3844 0.0528 -0.0642 1418SOL H120381 0.395 2.066 7.803 1.0042 -1.5543 -0.1298 1418SOL H220382 0.544 2.087 7.819 0.5381 2.0046 0.4135 1419SOL OH220383 4.735 3.269 6.669 0.0832 -0.2496 0.4051 1419SOL H120384 4.810 3.221 6.704 -0.6511 -1.5388 0.2577 1419SOL H220385 4.762 3.296 6.582 0.6866 0.0677 0.6807 1420SOL OH220386 2.196 3.943 8.000 -0.4172 -0.0465 -0.2877 1420SOL H120387 2.208 4.014 8.062 0.1742 -0.4027 0.0234 1420SOL H220388 2.283 3.903 7.993 -0.8811 -1.1548 0.0658 1421SOL OH220389 2.274 3.196 0.056 0.1045 0.2707 -0.2870 1421SOL H120390 2.261 3.260 -0.014 -0.4787 0.8710 0.3525 1421SOL H220391 2.213 3.125 0.035 1.5527 -0.6554 -1.6217 1422SOL OH220392 1.268 3.917 1.062 0.0853 0.4465 0.2606 1422SOL H120393 1.356 3.919 1.100 -0.0099 -2.5811 0.8620 1422SOL H220394 1.221 3.986 1.108 1.1806 -0.2365 2.5586 1423SOL OH220395 1.442 1.735 1.446 -0.1187 -0.1161 -0.2153 1423SOL H120396 1.460 1.684 1.525 -2.8930 0.1931 0.7391 1423SOL H220397 1.461 1.676 1.374 1.0641 -0.8985 0.6895 1424SOL OH220398 0.695 4.286 1.078 -0.1223 -0.4700 -0.1865 1424SOL H120399 0.652 4.231 1.012 -1.8527 -0.7507 1.1059 1424SOL H220400 0.742 4.351 1.027 0.1322 -1.7998 -1.7204 1425SOL OH220401 5.764 1.487 1.261 0.0124 0.3261 -0.0728 1425SOL H120402 5.735 1.561 1.313 0.6023 -0.9550 2.2149 1425SOL H220403 5.856 1.505 1.242 0.1685 0.1920 0.5257 1426SOL OH220404 3.198 2.762 0.567 0.1777 -0.0811 0.0280 1426SOL H120405 3.278 2.716 0.593 0.5399 -0.3540 -1.4618 1426SOL H220406 3.220 2.855 0.575 1.0018 -0.1384 -1.2893 1427SOL OH220407 1.434 5.537 8.225 0.1061 -0.4384 0.4248 1427SOL H120408 1.396 5.506 8.307 -1.4364 -0.3280 -0.2169 1427SOL H220409 1.456 5.457 8.177 -0.3056 -0.5064 0.3542 1428SOL OH220410 0.065 3.425 0.292 -0.2110 0.6121 -0.4184 1428SOL H120411 0.111 3.348 0.326 -0.1540 0.3387 -1.1074 1428SOL H220412 -0.024 3.394 0.274 -0.7914 1.2162 1.2129 1429SOL OH220413 3.936 1.380 2.206 -0.3194 -0.4115 0.2311 1429SOL H120414 3.873 1.346 2.143 1.8395 -2.7674 -0.8207 1429SOL H220415 3.912 1.339 2.289 -1.4120 0.4033 0.3386 1430SOL OH220416 0.582 3.461 2.166 -0.1067 -0.6108 -0.1128 1430SOL H120417 0.594 3.377 2.120 0.5577 -1.0695 0.8693 1430SOL H220418 0.504 3.448 2.219 0.3978 -0.8535 0.5731 1431SOL OH220419 4.974 3.331 2.229 0.4098 -0.7218 -0.1306 1431SOL H120420 4.880 3.315 2.224 0.7210 -2.6560 -0.5938 1431SOL H220421 4.981 3.425 2.246 -1.6035 -0.6282 0.5361 1432SOL OH220422 1.660 3.202 1.780 0.0984 0.1104 0.4819 1432SOL H120423 1.654 3.247 1.696 0.0903 -1.0966 -0.1735 1432SOL H220424 1.584 3.233 1.829 -1.2048 -0.9031 -0.8228 1433SOL OH220425 3.470 5.468 1.335 0.1063 0.6284 0.0952 1433SOL H120426 3.389 5.465 1.386 -0.8495 -0.2191 -1.3908 1433SOL H220427 3.441 5.463 1.244 1.8775 -0.8111 -0.4467 1434SOL OH220428 3.841 1.235 0.982 0.4148 -0.2601 -0.7357 1434SOL H120429 3.892 1.222 0.902 2.3157 -0.2216 0.4183 1434SOL H220430 3.885 1.181 1.047 -0.4795 0.4970 0.5382 1435SOL OH220431 5.354 5.216 8.182 0.0075 0.6349 -0.6406 1435SOL H120432 5.283 5.178 8.234 -0.0465 -0.0936 -1.2382 1435SOL H220433 5.340 5.310 8.187 0.5586 0.6709 1.4814 1436SOL OH220434 1.907 0.467 1.025 -0.0533 -0.6120 0.6561 1436SOL H120435 1.869 0.409 0.960 0.6115 -1.2278 0.8091 1436SOL H220436 2.000 0.444 1.027 0.7516 2.0530 -1.0005 1437SOL OH220437 1.436 1.421 6.782 0.4959 0.7293 -0.1171 1437SOL H120438 1.390 1.394 6.861 0.6188 0.2194 -0.2166 1437SOL H220439 1.525 1.443 6.811 0.5639 0.4650 -0.1260 1438SOL OH220440 1.326 4.825 1.441 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-0.1879 1526SOL OH220704 0.110 2.976 0.547 -0.2308 -0.5999 -0.4447 1526SOL H120705 0.084 3.062 0.514 0.5758 0.3583 1.2828 1526SOL H220706 0.195 2.959 0.506 -0.0602 -0.2405 -0.2410 1527SOL OH220707 2.069 5.019 1.510 0.2887 0.5384 0.2427 1527SOL H120708 2.059 4.929 1.478 0.7834 0.3135 0.7147 1527SOL H220709 2.150 5.018 1.560 0.4858 1.3381 -0.0450 1528SOL OH220710 1.258 0.133 1.601 -0.0240 0.7220 -0.4188 1528SOL H120711 1.256 0.037 1.595 -1.3774 0.8124 -1.9558 1528SOL H220712 1.257 0.151 1.695 -0.6780 -0.7610 -0.1128 1529SOL OH220713 3.761 3.914 7.430 -0.0802 -0.1802 0.2291 1529SOL H120714 3.705 3.853 7.383 -1.1363 1.0953 -0.2332 1529SOL H220715 3.718 3.999 7.420 1.6697 0.7658 0.2954 1530SOL OH220716 4.627 0.592 1.079 -0.4106 -0.6331 -0.3875 1530SOL H120717 4.600 0.632 0.996 -0.0455 0.8830 0.2056 1530SOL H220718 4.720 0.571 1.067 0.6963 2.9460 0.8063 1531SOL OH220719 2.103 1.968 0.062 0.3026 -0.7527 0.3243 1531SOL H120720 2.184 2.016 0.046 -0.2139 0.1840 0.4661 1531SOL H220721 2.034 2.023 0.025 -0.4650 -0.6137 1.8798 1532SOL OH220722 0.457 1.487 1.828 -0.0807 0.0458 0.7956 1532SOL H120723 0.378 1.472 1.776 0.2870 1.8491 -0.3858 1532SOL H220724 0.526 1.440 1.781 -0.3476 -1.2098 1.6163 1533SOL OH220725 0.143 2.832 8.233 -0.0239 -0.0153 -0.2726 1533SOL H120726 0.180 2.744 8.225 -3.1218 -1.3704 -1.2600 1533SOL H220727 0.054 2.818 8.265 -1.4662 2.5495 -2.7366 1534SOL OH220728 3.149 1.188 7.053 -0.2520 -0.4059 0.2508 1534SOL H120729 3.197 1.207 7.134 1.2776 0.4042 -0.8146 1534SOL H220730 3.099 1.268 7.036 0.7739 0.0881 -0.5106 1535SOL OH220731 3.390 0.402 1.326 0.1842 -0.1604 -0.2798 1535SOL H120732 3.463 0.401 1.387 -0.4940 -1.5221 0.5617 1535SOL H220733 3.406 0.478 1.270 0.8779 1.1042 1.5424 1536SOL OH220734 0.607 4.546 1.416 -0.3202 0.5025 -0.2834 1536SOL H120735 0.677 4.602 1.450 -0.9289 0.0097 1.9306 1536SOL H220736 0.546 4.607 1.375 -0.1951 1.2996 0.6794 1537SOL OH220737 0.411 4.502 7.447 0.7884 0.3719 0.0221 1537SOL H120738 0.400 4.430 7.385 0.6661 -0.7060 1.2301 1537SOL H220739 0.335 4.557 7.434 0.1302 -0.5074 0.0329 1538SOL OH220740 4.947 0.817 7.180 0.1572 -0.4871 -0.2897 1538SOL H120741 4.958 0.802 7.274 1.8917 1.6342 -0.0992 1538SOL H220742 4.996 0.746 7.139 2.2049 0.4117 0.4902 1539SOL OH220743 3.617 3.338 6.742 0.2873 -0.3960 -0.1367 1539SOL H120744 3.585 3.429 6.741 1.5456 0.1163 1.4838 1539SOL H220745 3.540 3.285 6.760 -0.4174 0.3647 -0.8456 1540SOL OH220746 3.887 3.651 7.926 0.4143 0.2190 -0.2876 1540SOL H120747 3.819 3.694 7.876 -0.8291 -0.2134 0.9591 1540SOL H220748 3.956 3.717 7.935 -0.7686 1.4305 0.2644 1541SOL OH220749 3.841 4.126 0.153 0.3628 0.2483 -0.1777 1541SOL H120750 3.800 4.069 0.088 -0.9526 1.6212 -0.6136 1541SOL H220751 3.834 4.078 0.236 0.3991 -0.7345 -0.7399 1542SOL OH220752 1.218 0.454 7.695 0.2442 0.8379 0.3637 1542SOL H120753 1.191 0.367 7.668 -0.4802 1.3280 -0.5240 1542SOL H220754 1.160 0.476 7.768 1.9937 -0.3561 2.2267 1543SOL OH220755 4.344 5.653 6.573 0.2376 0.3125 0.8188 1543SOL H120756 4.285 5.583 6.544 1.8925 -1.0521 0.6054 1543SOL H220757 4.384 5.686 6.492 -1.8944 2.9335 0.6617 1544SOL OH220758 4.125 1.942 2.891 0.0827 0.3484 0.0581 1544SOL H120759 4.146 1.943 2.798 -0.4309 0.5766 -0.0564 1544SOL H220760 4.209 1.958 2.934 0.5002 -0.7190 -0.3271 1545SOL OH220761 4.792 2.962 1.593 0.0482 -0.1801 -0.5350 1545SOL H120762 4.828 3.045 1.562 1.0932 -0.3935 0.0809 1545SOL H220763 4.845 2.939 1.669 0.0084 -1.5855 -0.8995 1546SOL OH220764 3.269 5.849 1.698 0.1864 0.3534 -0.4816 1546SOL H120765 3.211 5.911 1.742 1.1384 0.5604 0.5186 1546SOL H220766 3.214 5.810 1.630 -0.6698 1.6839 -0.6034 1547SOL OH220767 1.788 0.067 7.627 -0.9121 0.1427 -0.0316 1547SOL H120768 1.790 0.101 7.537 -1.2943 -0.7581 -0.3999 1547SOL H220769 1.775 -0.027 7.616 -2.5945 0.2083 0.9952 1548SOL OH220770 0.183 2.747 7.427 0.3732 -0.1321 -0.4136 1548SOL H120771 0.225 2.676 7.475 -1.2719 -0.9691 -0.1314 1548SOL H220772 0.184 2.821 7.488 -0.4832 -0.7892 0.4252 1549SOL OH220773 3.722 2.380 0.062 0.1857 -0.0828 -0.1957 1549SOL H120774 3.742 2.463 0.018 1.1860 -0.2265 -0.0422 1549SOL H220775 3.693 2.322 -0.008 2.3462 -0.5022 -0.8239 1550SOL OH220776 4.616 3.498 7.169 0.8778 0.5845 0.0123 1550SOL H120777 4.597 3.414 7.210 1.3465 -0.2376 -1.4156 1550SOL H220778 4.685 3.536 7.225 -1.3243 1.4154 2.3714 1551SOL OH220779 3.892 4.661 8.182 0.1560 -0.1541 -0.4104 1551SOL H120780 3.936 4.583 8.147 -1.0070 -1.6861 1.3401 1551SOL H220781 3.806 4.630 8.208 -1.1798 2.2592 -1.6456 1552SOL OH220782 3.074 1.480 0.079 -0.2848 0.4718 0.5049 1552SOL H120783 3.092 1.557 0.132 0.0532 -0.2541 1.4758 1552SOL H220784 3.014 1.511 0.011 0.1357 1.6590 0.6555 1553SOL OH220785 3.134 0.262 1.059 -0.3066 0.2268 0.1124 1553SOL H120786 3.137 0.354 1.030 -2.8184 -0.1472 -1.6586 1553SOL H220787 3.146 0.212 0.978 -0.6186 -0.9921 0.8072 1554SOL OH220788 4.556 0.780 6.526 -0.4522 0.4046 0.0242 1554SOL H120789 4.489 0.822 6.580 -1.2902 0.4362 -1.0048 1554SOL H220790 4.541 0.686 6.535 0.5999 0.3294 1.2978 1555SOL OH220791 3.701 2.560 0.713 -0.1212 0.1265 0.3407 1555SOL H120792 3.742 2.486 0.667 0.1161 0.2971 0.2778 1555SOL H220793 3.724 2.547 0.805 0.0994 0.2362 0.3026 1556SOL OH220794 5.154 2.110 1.453 -0.6092 -0.0656 0.1896 1556SOL H120795 5.225 2.054 1.484 -0.6468 0.2461 0.8558 1556SOL H220796 5.189 2.152 1.374 1.0657 2.2945 2.0451 1557SOL OH220797 1.879 1.749 2.292 0.1608 0.1717 -0.1027 1557SOL H120798 1.971 1.757 2.319 0.4384 0.0319 -0.9893 1557SOL H220799 1.865 1.656 2.280 0.0938 0.2459 -0.6177 1558SOL OH220800 4.023 3.412 7.161 -0.0947 -0.0167 -0.3382 1558SOL H120801 4.003 3.487 7.217 -0.0508 -1.1537 1.2853 1558SOL H220802 3.972 3.426 7.081 0.2555 1.9336 -0.2591 1559SOL OH220803 0.342 5.512 0.547 0.0389 0.4596 -0.2837 1559SOL H120804 0.365 5.422 0.524 0.1440 1.0846 -2.8852 1559SOL H220805 0.384 5.526 0.632 -2.5400 -2.8630 1.7742 1560SOL OH220806 2.177 0.179 2.274 0.3484 0.2491 -0.4303 1560SOL H120807 2.205 0.197 2.364 0.0437 1.0530 -0.4869 1560SOL H220808 2.138 0.091 2.278 0.9034 0.0211 0.0901 1561SOL OH220809 5.534 3.726 6.882 0.3655 0.1518 -0.1637 1561SOL H120810 5.553 3.770 6.799 1.4626 1.7432 0.8684 1561SOL H220811 5.445 3.754 6.904 -0.4198 -1.2814 -1.3725 1562SOL OH220812 5.519 2.388 7.956 0.7928 0.0252 0.1884 1562SOL H120813 5.522 2.292 7.956 -0.1123 -0.0116 -0.0926 1562SOL H220814 5.604 2.415 7.920 1.6653 -0.6259 1.6399 1563SOL OH220815 2.005 4.279 8.097 0.4028 -0.0930 0.0219 1563SOL H120816 1.924 4.303 8.053 1.4609 -0.4098 -2.2497 1563SOL H220817 1.986 4.194 8.137 -0.7261 0.3913 0.5597 1564SOL OH220818 4.210 1.249 1.814 -0.3422 0.3520 0.2205 1564SOL H120819 4.247 1.164 1.788 2.0702 0.9735 1.3545 1564SOL H220820 4.253 1.312 1.757 0.7565 1.1426 1.8427 1565SOL OH220821 3.116 5.310 7.968 0.6945 0.2355 -0.7103 1565SOL H120822 3.088 5.349 7.886 -0.8561 -0.0060 -0.3207 1565SOL H220823 3.048 5.334 8.031 0.5128 -1.6782 -0.0868 1566SOL OH220824 4.207 3.022 2.514 -0.1827 0.4318 -0.0600 1566SOL H120825 4.296 3.007 2.546 -0.4019 -0.3828 0.1697 1566SOL H220826 4.188 2.946 2.459 -0.7417 0.6018 -0.1018 1567SOL OH220827 0.027 5.149 0.386 0.7249 0.4878 -0.0935 1567SOL H120828 0.032 5.071 0.330 0.4874 -0.1555 0.7474 1567SOL H220829 0.003 5.220 0.326 -1.0240 -0.4606 -0.5960 1568SOL OH220830 4.081 4.383 7.413 0.2624 0.0986 -0.0116 1568SOL H120831 4.009 4.334 7.375 -0.0545 -0.0548 0.7775 1568SOL H220832 4.140 4.399 7.339 -1.4124 1.8011 -1.0768 1569SOL OH220833 2.740 2.105 0.824 -0.3845 -0.0227 0.0892 1569SOL H120834 2.696 2.093 0.908 0.5837 1.8075 0.9208 1569SOL H220835 2.709 2.190 0.793 -1.7865 -1.2428 -2.1370 1570SOL OH220836 4.819 4.343 0.515 -0.1683 -0.3175 -0.1571 1570SOL H120837 4.759 4.418 0.508 0.5109 0.7914 3.5399 1570SOL H220838 4.904 4.378 0.486 0.3286 0.7568 2.3196 1571SOL OH220839 0.324 1.768 1.578 0.1876 0.2235 -0.4179 1571SOL H120840 0.267 1.690 1.580 1.8971 -1.0892 -0.2759 1571SOL H220841 0.265 1.840 1.554 -1.2638 -1.2912 -1.7239 1572SOL OH220842 4.952 3.794 7.209 0.4378 0.2821 -0.0311 1572SOL H120843 5.010 3.865 7.235 0.4496 -0.0027 0.7287 1572SOL H220844 4.934 3.746 7.289 -1.6285 0.9257 -0.0368 1573SOL OH220845 5.071 4.578 6.111 0.4656 -0.1982 0.0870 1573SOL H120846 5.055 4.650 6.049 1.1654 -0.5275 -0.4927 1573SOL H220847 5.166 4.567 6.110 0.3580 -1.1557 0.1500 1574SOL OH220848 1.963 5.658 6.646 0.4107 0.3293 0.0969 1574SOL H120849 1.960 5.616 6.560 1.7199 -0.4431 0.3916 1574SOL H220850 1.940 5.749 6.630 1.2984 0.3449 -1.1922 1575SOL OH220851 0.925 5.423 7.972 -0.4296 0.4187 0.0211 1575SOL H120852 0.872 5.375 8.036 0.7668 -1.2430 -0.1528 1575SOL H220853 1.009 5.439 8.016 0.4064 -0.7358 -1.0653 1576SOL OH220854 1.314 5.138 7.502 -0.3823 0.5871 -0.5627 1576SOL H120855 1.238 5.103 7.548 0.6023 -0.1968 0.5261 1576SOL H220856 1.351 5.062 7.456 0.6508 0.5811 0.2352 1577SOL OH220857 3.153 5.088 8.143 0.1322 -0.5465 0.2138 1577SOL H120858 3.109 5.011 8.107 -0.4605 0.7743 -2.0776 1577SOL H220859 3.155 5.151 8.071 2.9741 0.6406 1.1844 1578SOL OH220860 2.009 3.095 0.936 0.0173 -0.7306 -0.3883 1578SOL H120861 2.024 3.173 0.989 -2.6135 0.1425 -0.8065 1578SOL H220862 2.096 3.058 0.923 1.0731 0.7922 1.8264 1579SOL OH220863 2.960 2.777 0.726 0.3119 -0.2031 0.0988 1579SOL H120864 2.968 2.863 0.767 0.6130 -0.2368 0.1161 1579SOL H220865 3.049 2.755 0.699 0.0464 0.0119 -0.9872 1580SOL OH220866 3.272 3.348 2.524 -0.5424 0.0071 0.1992 1580SOL H120867 3.193 3.389 2.489 0.6208 1.1519 -1.2129 1580SOL H220868 3.309 3.300 2.450 0.7357 0.5196 0.4887 1581SOL OH220869 2.556 5.178 7.246 -0.2109 0.1821 -0.0693 1581SOL H120870 2.558 5.159 7.340 1.4331 0.0540 -0.1037 1581SOL H220871 2.512 5.102 7.207 -1.6187 0.5935 0.6400 1582SOL OH220872 4.980 2.176 7.078 -0.3465 -0.1221 0.3563 1582SOL H120873 5.058 2.227 7.102 -0.6126 -0.3708 1.8338 1582SOL H220874 4.906 2.234 7.095 -0.5459 -0.3022 0.1104 1583SOL OH220875 2.764 2.390 1.919 -0.0742 0.4182 -0.0188 1583SOL H120876 2.773 2.445 1.997 1.4463 -0.1579 0.2433 1583SOL H220877 2.718 2.311 1.951 -0.4809 0.6745 0.0359 1584SOL OH220878 1.432 2.258 1.895 0.1385 0.8069 0.1202 1584SOL H120879 1.469 2.197 1.959 2.4108 1.5641 -0.3747 1584SOL H220880 1.454 2.219 1.810 0.9792 1.9327 -0.1910 1585SOL OH220881 4.257 2.001 2.653 0.6517 0.4853 -0.3852 1585SOL H120882 4.229 2.074 2.598 -1.2284 -0.2361 -0.4446 1585SOL H220883 4.321 2.040 2.713 1.6725 1.5869 -2.1079 1586SOL OH220884 0.971 0.484 1.307 -0.0176 -0.2603 0.3790 1586SOL H120885 1.042 0.539 1.338 -0.5672 0.1398 0.9392 1586SOL H220886 0.978 0.404 1.358 -0.3396 0.0192 0.8602 1587SOL OH220887 4.586 3.139 8.258 -0.0320 0.3561 0.3116 1587SOL H120888 4.517 3.204 8.275 -0.9215 0.1418 -2.0856 1587SOL H220889 4.634 3.174 8.182 0.9765 -0.6672 0.4477 1588SOL OH220890 4.689 0.882 7.277 -0.4539 -0.0002 -0.1221 1588SOL H120891 4.624 0.907 7.212 -1.0628 -0.3004 0.3546 1588SOL H220892 4.769 0.869 7.227 -1.0589 -0.8489 -0.9117 1589SOL OH220893 4.511 4.420 7.228 0.2199 -0.7537 0.2102 1589SOL H120894 4.448 4.349 7.214 -2.6528 1.4499 0.9785 1589SOL H220895 4.466 4.480 7.286 2.9735 1.1933 0.4941 1590SOL OH220896 4.313 2.993 0.741 -0.2237 -0.7248 -0.7099 1590SOL H120897 4.218 2.995 0.731 -0.1836 2.1275 -1.2893 1590SOL H220898 4.346 3.046 0.668 1.7767 -1.0616 -0.1068 1591SOL OH220899 2.449 1.962 8.069 -0.0509 0.2590 0.4851 1591SOL H120900 2.482 2.047 8.040 -0.1256 0.6267 1.4322 1591SOL H220901 2.353 1.970 8.062 -0.0365 -0.7996 -2.2450 1592SOL OH220902 0.076 2.710 1.998 -0.0106 -0.0160 -0.0134 1592SOL H120903 0.086 2.792 1.949 0.5894 -0.6591 -0.9994 1592SOL H220904 0.047 2.738 2.085 0.1798 1.2426 -0.3279 1593SOL OH220905 1.583 1.075 7.479 0.0919 0.0389 -0.7293 1593SOL H120906 1.552 1.165 7.467 0.1506 -0.1103 -2.2002 1593SOL H220907 1.519 1.021 7.432 0.8324 -0.5428 -1.0903 1594SOL OH220908 2.336 5.050 8.053 0.4105 -0.0639 0.3106 1594SOL H120909 2.375 5.073 7.968 0.2206 -1.1305 -0.0917 1594SOL H220910 2.276 5.121 8.072 0.0798 -0.0463 -0.7116 1595SOL OH220911 5.425 4.836 7.092 0.0515 -0.3415 0.6173 1595SOL H120912 5.376 4.754 7.091 -0.1319 -0.2325 0.4976 1595SOL H220913 5.406 4.877 7.007 0.4848 -0.3756 0.5054 1596SOL OH220914 2.423 1.618 2.387 0.2605 0.1896 -0.2156 1596SOL H120915 2.414 1.585 2.298 1.2128 -1.0216 0.1063 1596SOL H220916 2.435 1.539 2.441 -1.5270 0.7921 1.1722 1597SOL OH220917 5.107 5.674 7.052 0.2715 0.1412 -0.0052 1597SOL H120918 5.045 5.678 6.979 -0.1082 0.1149 0.3134 1597SOL H220919 5.114 5.581 7.072 1.3049 0.0365 -0.7920 1598SOL OH220920 0.905 3.404 8.033 -0.2022 0.3899 -0.0107 1598SOL H120921 0.908 3.373 7.942 -1.0544 -1.4870 0.5408 1598SOL H220922 0.831 3.466 8.034 -2.1463 -1.7754 -0.0645 1599SOL OH220923 5.738 5.038 0.201 0.1403 -0.3128 0.3162 1599SOL H120924 5.794 4.962 0.187 -0.1290 -0.2139 -1.4946 1599SOL H220925 5.689 5.048 0.119 -0.6181 1.1615 0.9057 1600SOL OH220926 2.946 3.080 0.194 -0.3120 -0.3227 0.1693 1600SOL H120927 2.881 3.126 0.141 -0.7096 -0.7985 0.2319 1600SOL H220928 2.900 3.057 0.275 -0.8186 -2.6857 -0.6923 1601SOL OH220929 1.584 3.192 6.718 0.8529 0.2593 -0.0481 1601SOL H120930 1.505 3.180 6.666 0.0930 -1.1452 1.3435 1601SOL H220931 1.554 3.232 6.799 1.5484 -0.2724 0.4906 1602SOL OH220932 5.862 5.755 2.187 0.0395 0.0723 -0.0360 1602SOL H120933 5.791 5.768 2.124 0.1579 -0.1651 -0.2170 1602SOL H220934 5.904 5.674 2.160 -0.3573 -0.4200 0.7675 1603SOL OH220935 0.494 0.221 7.808 0.3628 -0.7027 0.2696 1603SOL H120936 0.587 0.236 7.828 0.7509 -1.8836 -0.5771 1603SOL H220937 0.494 0.157 7.737 -1.0895 0.0386 -0.4502 1604SOL OH220938 0.656 1.839 0.111 -0.3970 -0.4660 0.0619 1604SOL H120939 0.719 1.910 0.096 -0.4835 0.0924 2.0289 1604SOL H220940 0.587 1.879 0.165 0.0363 -2.2077 2.0695 1605SOL OH220941 4.378 2.878 2.187 -0.2367 0.0197 0.1676 1605SOL H120942 4.358 2.839 2.102 0.0765 -0.7662 0.4487 1605SOL H220943 4.294 2.882 2.233 -0.1160 -1.3136 0.5388 1606SOL OH220944 4.393 1.765 7.842 -0.0651 -0.0589 -0.3985 1606SOL H120945 4.415 1.675 7.869 -2.9687 -0.7303 0.0727 1606SOL H220946 4.341 1.753 7.762 -1.0588 1.1471 0.0501 1607SOL OH220947 4.830 0.093 7.517 0.3851 0.1180 -0.2322 1607SOL H120948 4.807 0.109 7.425 1.4170 -1.4275 -0.8041 1607SOL H220949 4.825 0.179 7.558 -0.8562 0.7276 -1.5497 1608SOL OH220950 3.588 3.019 0.513 0.1136 0.0159 -0.0962 1608SOL H120951 3.646 2.945 0.494 -1.0896 -1.1009 0.4245 1608SOL H220952 3.646 3.086 0.550 1.1441 -0.8735 -0.0465 1609SOL OH220953 2.638 2.644 7.923 0.1531 -0.5575 0.1393 1609SOL H120954 2.659 2.737 7.913 1.0297 -0.7310 0.3006 1609SOL H220955 2.672 2.620 8.009 0.3890 -1.1535 -0.1142 1610SOL OH220956 2.519 3.501 7.888 0.3697 -0.0337 -0.1999 1610SOL H120957 2.586 3.568 7.897 0.0093 0.3528 -0.3459 1610SOL H220958 2.448 3.544 7.840 0.0782 -0.4789 -0.1790 1611SOL OH220959 1.400 1.529 2.224 0.5793 -0.2518 0.0740 1611SOL H120960 1.373 1.492 2.308 0.9298 -0.9394 -0.1146 1611SOL H220961 1.448 1.609 2.247 0.9477 -0.6050 0.5409 1612SOL OH220962 3.540 5.496 8.101 -0.1967 0.3170 -0.2323 1612SOL H120963 3.566 5.530 8.187 0.5225 1.1958 -0.7736 1612SOL H220964 3.554 5.402 8.107 0.9077 0.4912 0.2789 1613SOL OH220965 2.648 2.580 6.699 -0.1506 -0.1537 -0.0715 1613SOL H120966 2.564 2.570 6.743 -0.2164 0.9394 0.0839 1613SOL H220967 2.646 2.516 6.628 -1.9407 1.1649 -1.2978 1614SOL OH220968 3.621 3.704 1.351 -0.2129 -0.2361 1.1023 1614SOL H120969 3.700 3.728 1.399 -0.2799 -0.5892 1.3904 1614SOL H220970 3.561 3.671 1.418 -0.5787 -0.0409 0.8742 1615SOL OH220971 3.649 1.740 7.472 -0.5936 0.3439 0.7525 1615SOL H120972 3.687 1.808 7.417 1.4251 1.1528 2.9639 1615SOL H220973 3.675 1.658 7.430 -1.6345 0.8621 -1.0300 1616SOL OH220974 2.052 3.507 7.796 -0.2283 -0.2318 -0.3677 1616SOL H120975 1.985 3.507 7.727 -2.2087 -0.0835 1.4574 1616SOL H220976 2.020 3.569 7.861 1.4644 -0.5184 0.8040 1617SOL OH220977 4.405 3.331 8.281 -0.1832 0.0446 0.1379 1617SOL H120978 4.310 3.335 8.271 -0.2823 -0.9747 0.6133 1617SOL H220979 4.430 3.419 8.310 -0.9788 0.3085 0.0338 1618SOL OH220980 4.850 5.619 7.239 -0.6296 -0.5203 -0.0714 1618SOL H120981 4.880 5.533 7.266 1.3000 -0.4460 -1.7870 1618SOL H220982 4.929 5.672 7.232 -1.6056 0.9656 -0.5514 1619SOL OH220983 1.796 5.491 7.582 -0.4952 -0.4425 -0.4610 1619SOL H120984 1.796 5.449 7.496 1.5044 -1.1849 -0.1406 1619SOL H220985 1.881 5.469 7.619 -1.1164 0.3185 1.5006 1620SOL OH220986 6.014 5.171 1.531 0.1501 -0.0892 0.1443 1620SOL H120987 5.985 5.082 1.555 1.8977 -0.2173 2.0339 1620SOL H220988 6.017 5.218 1.614 -0.8861 1.8475 -0.8450 1621SOL OH220989 1.225 5.795 0.546 0.4013 -0.1956 0.1194 1621SOL H120990 1.308 5.840 0.565 0.6163 -0.8576 0.8007 1621SOL H220991 1.189 5.843 0.471 2.0939 -0.7675 -1.1348 1622SOL OH220992 3.472 5.790 7.242 0.1077 -0.0338 0.1251 1622SOL H120993 3.533 5.741 7.187 -0.8520 0.6267 -1.6151 1622SOL H220994 3.476 5.880 7.209 -0.8382 0.3005 0.8378 1623SOL OH220995 4.536 4.037 7.936 -0.0406 0.3194 0.6462 1623SOL H120996 4.453 4.046 7.983 0.6599 -0.0927 2.0294 1623SOL H220997 4.566 4.127 7.923 -0.4499 0.4537 0.6315 1624SOL OH220998 4.285 5.358 7.927 0.2455 0.0024 -0.0505 1624SOL H120999 4.267 5.434 7.982 -0.0540 0.2693 -0.5084 1624SOL H221000 4.285 5.392 7.838 -1.6052 -0.7878 -0.4195 1625SOL OH221001 5.830 4.334 7.180 -0.1683 0.0769 -0.8618 1625SOL H121002 5.803 4.422 7.205 1.9198 0.1493 1.4313 1625SOL H221003 5.906 4.347 7.123 0.9905 -0.2144 0.5782 1626SOL OH221004 2.187 0.053 0.868 -0.1050 -0.4157 0.1224 1626SOL H121005 2.189 -0.029 0.918 -0.1442 -1.5699 -1.6866 1626SOL H221006 2.097 0.059 0.836 0.8043 -1.8523 -3.0891 1627SOL OH221007 1.692 0.285 1.247 0.2713 0.2140 -0.2643 1627SOL H121008 1.659 0.341 1.177 -1.6122 -0.8193 -0.2582 1627SOL H221009 1.616 0.265 1.301 0.8593 -2.1998 -0.1878 1628SOL OH221010 4.772 3.344 7.598 0.7107 0.1211 -0.2069 1628SOL H121011 4.717 3.387 7.664 2.0904 0.9464 0.4320 1628SOL H221012 4.809 3.268 7.644 -0.2697 -0.7586 -0.8005 1629SOL OH221013 4.906 5.082 0.075 -0.0590 -0.0795 -0.0168 1629SOL H121014 4.839 5.014 0.068 0.6103 -0.9157 1.1019 1629SOL H221015 4.860 5.164 0.059 -1.2816 -0.6583 0.3968 1630SOL OH221016 3.424 5.205 7.125 0.3135 -0.0343 -0.1804 1630SOL H121017 3.353 5.259 7.161 -0.6986 -1.3281 -0.1323 1630SOL H221018 3.504 5.245 7.158 -0.4647 0.5332 1.1181 1631SOL OH221019 2.443 4.164 7.228 0.1753 -0.0751 0.1906 1631SOL H121020 2.442 4.094 7.294 0.0958 0.5541 0.8633 1631SOL H221021 2.445 4.117 7.145 -0.8247 -0.8871 0.6016 1632SOL OH221022 2.098 0.723 0.330 -0.6022 -0.0436 -0.5069 1632SOL H121023 2.165 0.680 0.277 -0.8497 0.6311 -1.3972 1632SOL H221024 2.055 0.784 0.270 -0.0158 1.7416 0.8001 1633SOL OH221025 5.434 1.997 8.062 -0.3908 0.9285 0.1799 1633SOL H121026 5.519 2.029 8.034 -0.7028 1.5594 -0.0701 1633SOL H221027 5.453 1.934 8.131 0.3195 0.3681 -0.5135 1634SOL OH221028 0.377 3.632 0.707 -0.3536 0.0525 -0.3936 1634SOL H121029 0.305 3.611 0.766 0.3207 -0.2177 0.3530 1634SOL H221030 0.343 3.702 0.651 -0.4441 1.6190 1.5072 1635SOL OH221031 3.983 1.047 1.132 0.2128 0.0291 -0.1546 1635SOL H121032 3.995 0.960 1.095 1.2763 0.2512 -0.3805 1635SOL H221033 4.072 1.077 1.151 -0.0283 1.5580 -1.2304 1636SOL OH221034 0.490 2.159 6.446 0.1615 -0.1878 0.3276 1636SOL H121035 0.405 2.178 6.408 -0.5239 -0.7084 1.5411 1636SOL H221036 0.544 2.130 6.373 -0.7039 0.1384 -0.4540 1637SOL OH221037 4.285 5.134 7.558 -0.2418 -0.0035 -0.5314 1637SOL H121038 4.301 5.223 7.590 0.0147 -0.5595 0.9602 1637SOL H221039 4.195 5.115 7.586 0.6440 -1.2263 1.7845 1638SOL OH221040 3.707 2.277 1.663 0.0526 -0.3767 0.0983 1638SOL H121041 3.667 2.354 1.623 -0.1224 -0.3737 0.2779 1638SOL H221042 3.674 2.203 1.612 -1.3066 -0.5033 1.1114 1639SOL OH221043 5.447 3.397 7.481 0.1712 0.0434 -0.1842 1639SOL H121044 5.371 3.350 7.514 0.0466 0.1844 -0.2742 1639SOL H221045 5.456 3.367 7.390 -0.3529 0.7549 -0.4757 1640SOL OH221046 3.936 0.980 6.610 -0.1716 0.2631 0.4510 1640SOL H121047 3.952 0.886 6.603 -1.3515 -0.2849 3.5085 1640SOL H221048 3.895 1.004 6.527 -1.6061 -2.3408 0.2983 1641SOL OH221049 5.999 3.469 7.302 0.2712 0.2342 0.1604 1641SOL H121050 5.990 3.549 7.249 1.1567 -0.0831 -0.5028 1641SOL H221051 5.915 3.424 7.290 0.5545 0.0144 -1.2776 1642SOL OH221052 1.942 4.247 6.817 -0.0363 -0.1317 -0.1411 1642SOL H121053 2.022 4.199 6.839 0.4389 1.0406 0.7991 1642SOL H221054 1.946 4.257 6.722 1.1867 0.3098 -0.0660 1643SOL OH221055 4.101 3.514 6.280 -0.2115 0.1128 0.0013 1643SOL H121056 4.130 3.581 6.218 -0.2007 -0.1887 -0.3209 1643SOL H221057 4.177 3.458 6.293 0.6451 1.6640 2.3283 1644SOL OH221058 5.777 1.437 8.251 -0.2512 0.3202 -0.3789 1644SOL H121059 5.732 1.369 8.301 -2.8232 0.2454 -2.5585 1644SOL H221060 5.868 1.432 8.280 -0.9143 -2.0144 1.6756 1645SOL OH221061 5.596 0.492 7.239 0.2411 0.0329 -0.0657 1645SOL H121062 5.674 0.529 7.197 0.1450 0.8365 0.4314 1645SOL H221063 5.605 0.516 7.331 -0.2912 -0.3980 0.1049 1646SOL OH221064 2.446 5.610 0.350 -0.0958 -0.4236 0.0230 1646SOL H121065 2.476 5.673 0.285 0.5921 -0.9925 -0.2326 1646SOL H221066 2.358 5.639 0.373 0.7184 1.4390 0.9648 1647SOL OH221067 5.910 2.273 6.994 0.0159 -0.1549 0.1387 1647SOL H121068 5.876 2.316 7.072 -0.0699 1.5527 -0.7720 1647SOL H221069 5.849 2.202 6.976 -1.0185 0.6036 0.5728 1648SOL OH221070 5.420 2.040 0.654 -0.1031 0.1997 0.3627 1648SOL H121071 5.385 2.114 0.604 0.1268 -0.5054 -0.8885 1648SOL H221072 5.367 1.965 0.626 0.9484 -0.4711 0.1039 1649SOL OH221073 5.335 3.564 0.975 0.6569 -0.5227 -0.2039 1649SOL H121074 5.263 3.515 0.936 0.7000 -2.4415 1.9091 1649SOL H221075 5.338 3.533 1.066 3.4856 0.2626 0.0556 1650SOL OH221076 4.149 4.075 7.514 -0.3168 -0.1580 -0.5219 1650SOL H121077 4.081 4.141 7.527 1.0319 1.0446 0.7625 1650SOL H221078 4.231 4.122 7.527 0.8936 -1.2555 -3.3838 1651SOL OH221079 1.648 5.869 0.198 0.1752 -0.5057 -0.7266 1651SOL H121080 1.687 5.955 0.211 -0.8291 -0.1369 0.0128 1651SOL H221081 1.607 5.873 0.112 -1.0655 0.2717 -0.1370 1652SOL OH221082 3.518 0.760 1.514 0.1246 -0.1387 -0.4047 1652SOL H121083 3.557 0.765 1.427 -0.9086 1.2167 -0.8286 1652SOL H221084 3.593 0.758 1.574 0.8489 -0.1704 -1.2868 1653SOL OH221085 1.959 4.991 6.809 -0.3530 -0.0913 0.4121 1653SOL H121086 1.916 5.076 6.815 0.9058 0.6397 -0.5846 1653SOL H221087 1.926 4.954 6.727 -0.4478 -0.3080 0.5481 1654SOL OH221088 1.979 2.163 7.037 0.9551 -0.0681 -0.5490 1654SOL H121089 1.945 2.247 7.008 0.1430 0.2565 1.2407 1654SOL H221090 1.903 2.105 7.041 1.1037 -0.2219 0.4489 1655SOL OH221091 1.756 1.408 7.955 0.3621 0.3660 0.1242 1655SOL H121092 1.670 1.418 7.916 0.5688 1.6683 -0.0560 1655SOL H221093 1.750 1.453 8.039 0.5652 -0.4606 0.5883 1656SOL OH221094 4.154 1.560 7.300 -0.5002 -0.6742 -0.1523 1656SOL H121095 4.187 1.644 7.268 -0.9104 -0.2498 0.5196 1656SOL H221096 4.226 1.524 7.353 0.2501 -1.4640 -1.6521 1657SOL OH221097 3.286 5.067 0.248 -0.5786 -0.1754 0.4736 1657SOL H121098 3.315 5.110 0.168 0.0957 -1.6515 -0.1014 1657SOL H221099 3.192 5.085 0.252 -0.5854 0.0662 -0.5480 1658SOL OH221100 3.927 2.178 1.343 0.0054 0.2475 0.7221 1658SOL H121101 3.880 2.099 1.368 -0.7006 0.6285 0.6105 1658SOL H221102 3.938 2.227 1.424 1.3259 -0.4128 0.9715 1659SOL OH221103 0.777 4.310 6.582 -0.0818 -0.0750 -0.1178 1659SOL H121104 0.763 4.335 6.673 -2.3574 -2.4081 0.3005 1659SOL H221105 0.870 4.288 6.577 0.0527 -0.0696 1.6961 1660SOL OH221106 5.281 5.754 7.288 -0.4222 0.3898 -0.0250 1660SOL H121107 5.209 5.773 7.228 -1.2217 -0.4652 0.6379 1660SOL H221108 5.245 5.690 7.349 0.2550 1.5037 1.6087 1661SOL OH221109 5.767 1.135 8.193 0.1316 0.5991 -0.4859 1661SOL H121110 5.855 1.106 8.170 -0.6300 -1.8695 -0.6249 1661SOL H221111 5.760 1.117 8.287 -0.6247 -0.5350 -0.7343 1662SOL OH221112 1.239 4.420 6.908 0.2021 0.0313 0.1814 1662SOL H121113 1.181 4.432 6.833 -0.1417 1.6459 0.6439 1662SOL H221114 1.302 4.353 6.881 0.4585 0.9930 -1.7772 1663SOL OH221115 0.706 4.768 7.414 -0.0747 -0.0573 0.4605 1663SOL H121116 0.676 4.711 7.485 -1.2436 0.7922 0.6907 1663SOL H221117 0.800 4.755 7.411 -0.1388 -0.9353 1.4423 1664SOL OH221118 3.892 4.736 1.997 -0.6436 0.2136 0.2413 1664SOL H121119 3.952 4.696 2.059 0.2975 -0.2070 -0.8971 1664SOL H221120 3.864 4.664 1.940 -0.4965 0.8038 -0.5975 1665SOL OH221121 1.510 2.047 2.068 0.1440 -0.2777 0.0436 1665SOL H121122 1.462 1.966 2.055 -0.5614 0.3562 -1.4479 1665SOL H221123 1.602 2.024 2.054 -0.1615 -0.5959 -1.6128 1666SOL OH221124 4.498 5.287 0.116 0.1394 -0.2718 0.4770 1666SOL H121125 4.518 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1725SOL OH221301 6.002 2.131 0.027 -0.2110 -0.4764 0.0631 1725SOL H121302 5.923 2.077 0.017 -0.1035 -0.6026 -0.1116 1725SOL H221303 6.071 2.070 0.052 -0.5592 -0.1026 2.0494 1726SOL OH221304 4.578 3.977 6.466 0.3279 -0.0664 -0.1882 1726SOL H121305 4.522 3.904 6.490 -1.8666 2.0541 1.7178 1726SOL H221306 4.563 3.989 6.372 -0.2858 -1.2020 -0.2519 1727SOL OH221307 4.094 1.765 0.663 -0.1973 -0.0193 -0.2455 1727SOL H121308 4.012 1.769 0.614 -0.4224 -0.3954 0.0981 1727SOL H221309 4.076 1.707 0.737 0.0732 0.7043 0.4093 1728SOL OH221310 2.775 0.520 7.499 -0.8264 0.0535 0.2919 1728SOL H121311 2.851 0.473 7.467 0.3010 1.4520 0.8280 1728SOL H221312 2.717 0.528 7.423 -0.1799 -0.5118 -0.2626 1729SOL OH221313 2.641 5.272 2.496 -0.2170 -0.4263 0.0495 1729SOL H121314 2.689 5.294 2.416 -3.1442 -1.3631 -2.1365 1729SOL H221315 2.578 5.344 2.507 -2.6157 -2.2265 -0.9923 1730SOL OH221316 2.729 2.549 1.662 -0.0075 0.2554 0.4520 1730SOL H121317 2.656 2.489 1.676 -0.0279 0.2508 0.3285 1730SOL H221318 2.797 2.518 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-0.0878 1754SOL H121389 1.073 2.146 0.323 -2.0124 -0.6386 0.3588 1754SOL H221390 1.139 2.010 0.319 -1.7923 -0.5102 -0.6793 1755SOL OH221391 0.723 1.734 0.642 0.1763 -0.0771 0.4251 1755SOL H121392 0.795 1.677 0.613 0.2984 -0.1838 0.9271 1755SOL H221393 0.738 1.817 0.596 1.1812 0.2212 1.2543 1756SOL OH221394 3.028 5.446 1.110 -0.1308 -0.5848 0.2810 1756SOL H121395 3.011 5.382 1.041 0.3242 -0.0666 -0.3165 1756SOL H221396 2.963 5.515 1.095 -0.2582 -0.6363 0.5856 1757SOL OH221397 6.028 4.839 7.439 -0.0687 -0.0650 0.3364 1757SOL H121398 6.011 4.892 7.361 1.7388 -0.0813 -0.1275 1757SOL H221399 5.995 4.891 7.512 -1.8911 -0.0978 -0.4134 1758SOL OH221400 1.984 2.000 1.889 0.2756 -0.0448 0.3104 1758SOL H121401 2.040 1.945 1.945 0.5581 -0.1330 -0.0569 1758SOL H221402 2.006 1.973 1.800 -1.2256 -0.9646 0.1737 1759SOL OH221403 3.921 3.361 7.905 -0.4272 0.2461 0.0948 1759SOL H121404 3.950 3.452 7.897 -1.5108 0.5211 -0.9943 1759SOL H221405 3.978 3.313 7.844 -0.1923 0.2775 0.2885 1760SOL OH221406 2.715 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1766SOL OH221424 3.156 1.150 1.545 -0.4015 0.0131 0.3024 1766SOL H121425 3.232 1.096 1.527 -0.2122 0.8359 -1.5754 1766SOL H221426 3.191 1.227 1.590 -0.1941 0.0953 0.0066 1767SOL OH221427 4.001 3.163 1.156 0.1642 -0.2609 0.4227 1767SOL H121428 4.043 3.193 1.075 0.2901 -0.2746 0.4828 1767SOL H221429 3.908 3.160 1.135 0.2863 -1.2245 -0.0265 1768SOL OH221430 5.726 4.075 0.581 -0.1078 0.0587 0.2977 1768SOL H121431 5.779 4.113 0.652 2.2175 -0.8315 -0.8505 1768SOL H221432 5.731 3.981 0.594 -0.6493 -0.0766 -0.3879 1769SOL OH221433 0.008 5.398 7.803 0.0976 -0.1929 -0.7412 1769SOL H121434 -0.005 5.483 7.847 0.7063 -0.2549 -0.4418 1769SOL H221435 0.101 5.379 7.813 -0.1039 -1.0854 -0.4777 1770SOL OH221436 0.785 5.510 1.433 0.0063 -0.1133 0.0963 1770SOL H121437 0.781 5.422 1.394 0.3643 0.6348 -1.7320 1770SOL H221438 0.851 5.556 1.380 0.6137 0.9412 1.7231 1771SOL OH221439 3.523 3.447 7.982 0.2806 0.1489 -0.1769 1771SOL H121440 3.490 3.466 7.894 0.1045 -0.6819 -0.2915 1771SOL H221441 3.545 3.354 7.980 0.0110 0.0571 0.7469 1772SOL OH221442 3.731 3.032 1.375 0.1707 0.7351 0.2428 1772SOL H121443 3.744 3.118 1.414 0.1564 0.9222 -0.1610 1772SOL H221444 3.729 3.048 1.280 -0.3454 0.3669 0.1836 1773SOL OH221445 5.600 5.360 2.324 0.4912 0.0080 -0.4378 1773SOL H121446 5.659 5.285 2.330 0.7512 0.3316 2.6949 1773SOL H221447 5.513 5.324 2.343 0.4878 0.3300 0.1823 1774SOL OH221448 0.512 5.984 7.580 0.0581 0.3186 0.9238 1774SOL H121449 0.605 5.966 7.571 -0.0821 0.0106 -0.0178 1774SOL H221450 0.470 5.898 7.573 -0.4561 0.7010 -1.2281 1775SOL OH221451 4.384 2.957 8.172 -0.2966 0.3353 -0.0725 1775SOL H121452 4.444 3.029 8.193 -2.1174 2.0010 -0.3747 1775SOL H221453 4.311 2.998 8.126 -1.8743 -1.5639 0.5794 1776SOL OH221454 2.628 5.641 2.712 0.2077 -0.3316 -0.4205 1776SOL H121455 2.629 5.722 2.762 -2.0613 -2.3571 3.3653 1776SOL H221456 2.697 5.587 2.753 0.8292 -0.8082 -2.0243 1777SOL OH221457 1.585 3.369 6.924 -0.1070 0.3333 -0.0220 1777SOL H121458 1.658 3.370 6.986 0.4454 1.9723 -0.6555 1777SOL H221459 1.609 3.432 6.857 -1.3377 -0.3660 -1.1777 1778SOL OH221460 2.425 2.512 1.885 0.2859 0.1026 -0.3460 1778SOL H121461 2.459 2.592 1.924 -0.4244 1.8599 -3.0762 1778SOL H221462 2.502 2.470 1.845 0.0521 1.8527 -2.8144 1779SOL OH221463 0.353 4.662 2.029 0.4459 -0.1906 0.3236 1779SOL H121464 0.378 4.708 2.109 1.8477 0.0268 -0.2065 1779SOL H221465 0.334 4.572 2.057 -1.1601 0.3885 1.1897 1780SOL OH221466 4.276 4.449 1.576 0.1638 0.8373 0.2749 1780SOL H121467 4.367 4.480 1.569 0.6454 -0.6636 -0.8977 1780SOL H221468 4.267 4.422 1.668 0.9072 1.0230 0.4103 1781SOL OH221469 0.945 1.062 7.869 -0.1719 -0.1086 0.2757 1781SOL H121470 0.854 1.050 7.895 0.0961 -0.7370 0.9462 1781SOL H221471 0.995 1.007 7.929 0.9164 2.4246 1.8272 1782SOL OH221472 5.204 2.933 7.131 0.0060 0.4553 0.0529 1782SOL H121473 5.141 2.871 7.094 1.6146 -2.3578 1.6039 1782SOL H221474 5.275 2.937 7.067 -0.6128 1.6860 -0.5804 1783SOL OH221475 5.121 4.802 2.398 0.3367 0.0161 0.5583 1783SOL H121476 5.042 4.788 2.450 -1.6007 -1.7316 -2.5745 1783SOL H221477 5.161 4.715 2.391 -0.6982 -0.3389 -2.5169 1784SOL OH221478 1.440 4.539 0.180 -0.5176 -0.1382 -0.2990 1784SOL H121479 1.369 4.475 0.187 -0.3625 -0.3342 -0.5676 1784SOL H221480 1.480 4.523 0.095 0.0807 -0.2610 -0.0004 1785SOL OH221481 0.360 0.233 7.506 -0.3742 0.5896 -0.3434 1785SOL H121482 0.338 0.268 7.593 0.2694 -1.5862 0.7732 1785SOL H221483 0.418 0.159 7.524 1.3384 1.2341 -2.7644 1786SOL OH221484 0.206 5.380 0.907 0.2496 -0.2350 -0.4100 1786SOL H121485 0.143 5.391 0.836 1.3657 -0.7011 -1.5256 1786SOL H221486 0.158 5.403 0.987 -1.2879 -0.5098 -1.2203 1787SOL OH221487 3.823 2.821 2.061 -0.5690 -0.6333 0.3459 1787SOL H121488 3.837 2.875 2.139 -2.0651 -0.6163 0.6364 1787SOL H221489 3.785 2.740 2.095 0.3269 -1.3138 -0.2240 1788SOL OH221490 2.022 5.376 8.283 -0.2396 -0.0066 -0.1938 1788SOL H121491 2.064 5.361 8.368 -1.3998 -0.3957 0.3346 1788SOL H221492 1.933 5.404 8.305 -0.4674 0.1492 -1.2809 1789SOL OH221493 0.311 4.987 1.086 0.2685 -0.5801 0.3088 1789SOL H121494 0.358 5.070 1.083 0.1026 -0.4771 0.4891 1789SOL H221495 0.235 5.001 1.029 -0.4448 -0.1680 1.3231 1790SOL OH221496 0.700 2.919 0.614 -0.0455 -0.2975 -0.0732 1790SOL H121497 0.661 2.849 0.667 1.0584 -1.2832 -0.5011 1790SOL H221498 0.678 3.000 0.660 -1.1952 -0.9398 0.5429 1791SOL OH221499 1.465 4.551 0.608 -0.0313 -0.0199 0.6343 1791SOL H121500 1.560 4.546 0.615 -0.0344 -0.6754 0.2784 1791SOL H221501 1.449 4.604 0.530 0.0911 -2.5682 -1.2466 1792SOL OH221502 4.605 2.451 1.652 -0.2852 -0.0115 -0.0729 1792SOL H121503 4.619 2.546 1.658 -0.0014 -0.0219 -0.5282 1792SOL H221504 4.637 2.427 1.565 1.8175 -0.8886 0.8763 1793SOL OH221505 4.211 1.419 1.294 0.2970 0.1089 -0.1881 1793SOL H121506 4.295 1.400 1.335 0.5725 1.2565 -0.2018 1793SOL H221507 4.180 1.499 1.337 -1.0414 -0.5845 0.1885 1794SOL OH221508 2.246 4.785 0.034 0.3228 0.2830 -0.8894 1794SOL H121509 2.301 4.784 -0.045 0.7225 -1.6083 -0.6340 1794SOL H221510 2.291 4.726 0.094 -1.5289 -0.6150 -0.3337 1795SOL OH221511 2.073 1.669 0.389 -0.1827 -0.3657 0.6416 1795SOL H121512 2.045 1.745 0.339 0.8743 0.4966 1.3139 1795SOL H221513 2.142 1.630 0.336 0.4459 0.1387 1.0723 1796SOL OH221514 0.685 0.706 0.234 0.4404 0.0025 0.1752 1796SOL H121515 0.643 0.632 0.278 0.4282 -1.6392 -2.4109 1796SOL H221516 0.725 0.756 0.305 -2.0511 -0.7974 2.3190 1797SOL OH221517 0.602 5.671 0.971 0.1161 -0.3394 0.2719 1797SOL H121518 0.528 5.661 1.030 -0.5524 0.6673 -0.3437 1797SOL H221519 0.652 5.590 0.979 -0.4329 -0.5624 1.5484 1798SOL OH221520 2.827 3.930 2.730 -0.2793 -0.1325 0.2716 1798SOL H121521 2.850 3.842 2.700 -1.6199 -0.6529 0.6899 1798SOL H221522 2.883 3.946 2.805 -0.8814 -1.1522 0.9528 1799SOL OH221523 0.211 4.724 1.781 0.1733 -0.2016 -0.2849 1799SOL H121524 0.251 4.795 1.731 2.9999 -2.8161 -2.0682 1799SOL H221525 0.262 4.720 1.862 -0.7677 0.4596 0.3733 1800SOL OH221526 2.803 4.410 1.175 -0.5874 0.0419 0.0185 1800SOL H121527 2.720 4.417 1.222 -0.0858 -1.0534 1.1316 1800SOL H221528 2.780 4.367 1.092 -1.3030 0.8808 -0.2302 1801SOL OH221529 0.679 3.655 1.010 -0.1609 0.1682 0.0832 1801SOL H121530 0.597 3.661 1.059 -0.1041 0.3017 0.1646 1801SOL H221531 0.687 3.563 0.987 -0.5596 0.2224 -0.3112 1802SOL OH221532 5.388 0.006 7.446 -0.2978 0.0287 -0.1866 1802SOL H121533 5.368 -0.068 7.387 0.1771 -0.5424 0.3521 1802SOL H221534 5.404 0.079 7.387 1.5178 -0.8485 -0.8641 1803SOL OH221535 0.192 3.813 0.232 -0.7575 0.0868 0.2911 1803SOL H121536 0.205 3.831 0.325 -2.0906 -0.1369 0.5422 1803SOL H221537 0.267 3.853 0.189 0.2450 -0.4027 1.5191 1804SOL OH221538 1.092 3.808 8.182 0.4167 0.2342 -0.3794 1804SOL H121539 1.129 3.774 8.101 0.2566 -0.1977 -0.2735 1804SOL H221540 1.026 3.872 8.154 -0.9506 -1.2206 -0.6565 1805SOL OH221541 2.482 5.412 1.963 -0.0080 -0.4152 0.3080 1805SOL H121542 2.548 5.368 1.909 -0.4873 0.6348 -1.2233 1805SOL H221543 2.438 5.471 1.902 -1.6272 -0.2887 1.5446 1806SOL OH221544 5.032 0.739 2.142 -0.5316 -0.0329 0.1127 1806SOL H121545 5.057 0.807 2.204 -1.2175 0.7735 -0.4749 1806SOL H221546 4.938 0.727 2.157 -0.6714 0.0616 -0.6552 1807SOL OH221547 5.827 1.439 7.947 0.0368 0.3609 -0.1778 1807SOL H121548 5.813 1.482 8.031 -0.9115 -0.4795 0.1095 1807SOL H221549 5.922 1.443 7.933 0.0290 1.9878 0.1146 1808SOL OH221550 1.723 4.514 0.551 -0.1634 -0.7117 -0.3636 1808SOL H121551 1.770 4.509 0.634 -2.1571 1.0542 0.9847 1808SOL H221552 1.775 4.573 0.497 -0.5320 0.8814 0.9479 1809SOL OH221553 1.410 5.177 6.986 0.7480 0.3356 -0.0350 1809SOL H121554 1.486 5.119 6.978 0.1743 -0.4876 0.3705 1809SOL H221555 1.447 5.260 7.016 1.5447 0.0819 -0.2870 1810SOL OH221556 3.516 4.808 0.052 0.2820 0.3795 0.5601 1810SOL H121557 3.422 4.789 0.053 0.4567 -0.5587 0.5773 1810SOL H221558 3.553 4.744 0.112 0.9923 0.3861 0.1324 1811SOL OH221559 3.923 2.389 2.171 0.2476 -0.0536 -0.2997 1811SOL H121560 3.919 2.299 2.201 -2.5362 -0.2254 -0.9385 1811SOL H221561 3.965 2.384 2.085 1.1914 -0.5515 0.1751 1812SOL OH221562 2.351 2.523 0.673 0.8444 -0.4159 0.3624 1812SOL H121563 2.429 2.511 0.619 -0.8594 1.6981 -2.8995 1812SOL H221564 2.307 2.437 0.671 2.5126 -1.3383 1.4109 1813SOL OH221565 5.302 0.943 0.851 -0.2717 0.0770 -0.6177 1813SOL H121566 5.263 0.936 0.938 1.3633 0.3556 0.1882 1813SOL H221567 5.296 0.855 0.814 0.8298 -0.5705 0.6357 1814SOL OH221568 0.625 3.213 7.986 -0.1938 0.4042 0.1574 1814SOL H121569 0.537 3.226 7.952 -0.9160 -0.1552 1.6952 1814SOL H221570 0.630 3.272 8.061 0.6408 0.2238 0.2560 1815SOL OH221571 3.190 0.983 7.265 -0.2154 -0.0135 0.5517 1815SOL H121572 3.275 0.968 7.224 -0.0023 -1.0678 1.3313 1815SOL H221573 3.173 0.903 7.316 -2.1173 -0.2198 -0.3224 1816SOL OH221574 1.296 2.624 7.449 -0.1951 0.1306 0.2104 1816SOL H121575 1.202 2.608 7.438 -0.0870 -0.6265 0.3393 1816SOL H221576 1.328 2.642 7.361 -0.6508 1.5226 0.3037 1817SOL OH221577 4.493 1.843 7.376 0.0707 -0.4591 -0.2757 1817SOL H121578 4.504 1.772 7.438 0.5243 -1.8750 -1.9083 1817SOL H221579 4.404 1.831 7.342 0.2543 -0.4209 -0.7698 1818SOL OH221580 1.085 0.725 1.011 -0.2572 -0.0036 -0.4566 1818SOL H121581 1.092 0.818 1.030 -1.0372 0.0990 -0.6430 1818SOL H221582 1.170 0.689 1.035 -0.5969 0.4244 1.5056 1819SOL OH221583 2.329 5.349 7.571 0.0204 0.2839 -0.8425 1819SOL H121584 2.403 5.291 7.588 -0.5487 0.0233 0.9198 1819SOL H221585 2.271 5.298 7.514 -0.5202 -0.9732 0.7650 1820SOL OH221586 1.319 2.282 0.327 0.6236 0.6048 0.0096 1820SOL H121587 1.288 2.195 0.300 -0.8039 0.9710 0.4207 1820SOL H221588 1.333 2.329 0.245 1.3726 0.0145 -0.2169 1821SOL OH221589 5.292 2.143 7.775 0.3907 0.3020 0.3506 1821SOL H121590 5.300 2.049 7.764 1.5562 0.6051 -2.1787 1821SOL H221591 5.344 2.180 7.704 -2.0456 2.8595 -0.2891 1822SOL OH221592 3.668 0.397 7.668 0.3161 0.0571 -0.1903 1822SOL H121593 3.761 0.401 7.690 0.0697 -0.2165 0.9726 1822SOL H221594 3.630 0.342 7.736 -1.2180 2.6342 1.2168 1823SOL OH221595 1.493 0.346 0.608 -0.2573 0.4124 0.2886 1823SOL H121596 1.519 0.355 0.699 0.0897 -1.3761 0.3974 1823SOL H221597 1.397 0.341 0.611 -0.2239 -0.1897 0.6325 1824SOL OH221598 4.205 5.345 0.199 0.3861 0.0675 0.1567 1824SOL H121599 4.238 5.428 0.167 0.0589 1.1944 2.5521 1824SOL H221600 4.110 5.349 0.183 0.2995 0.3957 0.7224 1825SOL OH221601 0.348 5.930 0.595 -0.2582 0.1020 0.1281 1825SOL H121602 0.440 5.909 0.581 -0.2336 0.2765 0.0296 1825SOL H221603 0.304 5.902 0.515 -0.0201 1.7145 -0.5926 1826SOL OH221604 1.330 5.408 1.337 0.2945 0.1208 -0.1889 1826SOL H121605 1.366 5.336 1.284 -0.5336 -0.0670 -0.5141 1826SOL H221606 1.400 5.430 1.398 -0.2073 -2.5222 1.4877 1827SOL OH221607 3.341 5.305 1.894 0.3154 -0.3525 -0.0483 1827SOL H121608 3.379 5.247 1.829 0.9488 -0.5814 0.5175 1827SOL H221609 3.297 5.373 1.843 -0.8182 -1.5451 -0.7288 1828SOL OH221610 5.342 5.440 2.123 0.7865 -0.0506 -0.3309 1828SOL H121611 5.379 5.401 2.203 -0.4346 0.2440 0.4081 1828SOL H221612 5.312 5.526 2.150 0.3733 0.0598 -1.1244 1829SOL OH221613 5.075 4.789 7.344 0.5358 -0.0626 0.5577 1829SOL H121614 4.993 4.764 7.301 2.0177 -2.4393 -1.1401 1829SOL H221615 5.080 4.734 7.421 0.6555 -0.1281 0.5038 1830SOL OH221616 0.483 2.396 2.262 -0.1723 0.1595 -0.1025 1830SOL H121617 0.474 2.487 2.291 1.3136 1.1254 -2.3881 1830SOL H221618 0.409 2.383 2.203 2.2432 1.7577 -3.8606 1831SOL OH221619 1.154 3.063 1.086 0.4237 0.0803 -0.0788 1831SOL H121620 1.185 3.054 0.995 1.5226 1.2502 0.1562 1831SOL H221621 1.074 3.010 1.089 -1.2126 2.1964 -2.5033 1832SOL OH221622 3.845 0.717 8.275 0.1510 -0.3132 -0.0418 1832SOL H121623 3.870 0.793 8.222 1.0718 -2.0958 -2.2991 1832SOL H221624 3.767 0.683 8.232 -0.5079 -0.4352 1.2146 1833SOL OH221625 5.194 1.637 1.726 0.2862 -0.7368 0.3548 1833SOL H121626 5.164 1.550 1.703 1.3941 -0.9587 -0.3438 1833SOL H221627 5.193 1.685 1.643 1.7839 -0.7548 0.2934 1834SOL OH221628 4.890 4.113 7.300 0.5020 0.2356 0.0474 1834SOL H121629 4.814 4.144 7.350 -0.1009 -2.1450 0.7236 1834SOL H221630 4.855 4.094 7.213 0.9283 1.5569 -0.4472 1835SOL OH221631 4.224 2.599 1.756 -0.6687 0.0514 0.1954 1835SOL H121632 4.170 2.660 1.705 -2.0720 -0.3650 1.1186 1835SOL H221633 4.236 2.523 1.699 -2.1470 -0.3721 0.4066 1836SOL OH221634 0.402 5.076 7.864 0.2461 0.3092 0.0933 1836SOL H121635 0.428 5.150 7.809 -1.4025 -0.8344 -2.4143 1836SOL H221636 0.320 5.103 7.904 0.4849 0.4354 0.5028 1837SOL OH221637 0.041 1.231 0.689 -0.0485 0.1693 -0.2538 1837SOL H121638 0.080 1.196 0.609 1.7644 0.8474 0.2677 1837SOL H221639 0.089 1.313 0.705 0.0945 -0.2560 1.8315 1838SOL OH221640 5.372 4.695 8.030 -0.0821 -0.4588 -0.5003 1838SOL H121641 5.433 4.756 8.072 -1.6539 2.1640 -1.7358 1838SOL H221642 5.428 4.633 7.984 1.6416 0.7582 -0.1332 1839SOL OH221643 0.604 1.972 2.063 0.1761 0.0144 -0.6574 1839SOL H121644 0.578 1.880 2.053 0.8394 -0.1015 -1.4275 1839SOL H221645 0.529 2.021 2.031 -1.3011 -0.1532 2.2525 1840SOL OH221646 2.663 1.871 7.051 -0.4425 -1.1199 -0.1343 1840SOL H121647 2.731 1.936 7.036 1.2890 -2.5789 0.9126 1840SOL H221648 2.604 1.879 6.975 1.7168 -0.7856 -1.8710 1841SOL OH221649 5.919 4.116 7.339 -0.0180 -0.2423 0.3943 1841SOL H121650 5.844 4.103 7.396 1.5273 2.1609 3.2829 1841SOL H221651 5.896 4.193 7.286 0.4596 0.6903 1.5055 1842SOL OH221652 1.883 0.489 2.737 -0.1345 -0.2685 0.2452 1842SOL H121653 1.909 0.581 2.733 -1.6392 0.3867 2.9934 1842SOL H221654 1.791 0.489 2.711 -0.2508 -0.9190 0.6468 1843SOL OH221655 5.875 2.770 0.446 -0.6415 -0.3251 0.4393 1843SOL H121656 5.836 2.801 0.527 -1.3255 -1.9827 0.7851 1843SOL H221657 5.934 2.699 0.473 -1.0752 -1.0693 -0.5079 1844SOL OH221658 3.649 4.502 0.687 0.0319 0.4131 -0.0972 1844SOL H121659 3.644 4.539 0.599 -0.8222 -0.5153 -0.4528 1844SOL H221660 3.623 4.573 0.745 0.4681 0.9893 -0.5975 1845SOL OH221661 4.653 2.671 1.942 0.3387 0.3365 0.4033 1845SOL H121662 4.568 2.660 1.985 0.9029 0.0296 1.4679 1845SOL H221663 4.710 2.706 2.010 1.2938 -0.2927 -0.0528 1846SOL OH221664 1.680 1.462 1.125 -0.0736 0.0140 -0.4283 1846SOL H121665 1.614 1.492 1.187 0.2600 0.8725 -0.4743 1846SOL H221666 1.728 1.393 1.172 0.1922 0.6684 0.2789 1847SOL OH221667 0.397 1.378 0.896 0.2217 -0.4679 0.5991 1847SOL H121668 0.469 1.322 0.868 -1.0548 -1.1610 -1.5505 1847SOL H221669 0.439 1.461 0.919 1.9327 -1.6258 1.9120 1848SOL OH221670 0.487 5.280 1.646 0.4068 -0.4687 0.7666 1848SOL H121671 0.528 5.348 1.699 -0.8755 -0.4493 1.7813 1848SOL H221672 0.427 5.328 1.588 -0.4533 -0.6906 1.4415 1849SOL OH221673 0.924 4.009 1.454 0.6295 0.2550 0.1873 1849SOL H121674 0.971 3.928 1.431 0.2174 0.4099 -1.3555 1849SOL H221675 0.964 4.076 1.399 -1.3493 0.3794 -1.2359 1850SOL OH221676 0.209 1.190 1.880 -0.1645 -0.1244 1.0654 1850SOL H121677 0.302 1.182 1.856 -0.6886 -2.3479 -0.5614 1850SOL H221678 0.193 1.115 1.937 -1.5519 -1.5458 -1.0319 1851SOL OH221679 1.641 0.704 1.505 0.0674 -0.2528 0.1750 1851SOL H121680 1.570 0.670 1.560 -2.0351 1.5581 -1.2471 1851SOL H221681 1.605 0.706 1.417 1.3709 2.0125 -0.3966 1852SOL OH221682 3.179 3.335 7.240 0.1926 -0.3918 -0.6424 1852SOL H121683 3.161 3.392 7.315 0.6404 -0.9441 -0.1074 1852SOL H221684 3.095 3.295 7.220 0.3469 -1.3550 0.5094 1853SOL OH221685 3.580 0.313 7.915 -0.4769 -0.0962 -0.0178 1853SOL H121686 3.591 0.361 7.996 0.6267 -0.7254 0.2216 1853SOL H221687 3.508 0.252 7.932 -0.6296 0.1690 0.2891 1854SOL OH221688 1.692 4.676 7.708 -0.4593 0.0982 0.2274 1854SOL H121689 1.660 4.654 7.620 0.2572 -0.4366 0.0864 1854SOL H221690 1.614 4.701 7.756 -1.0394 -0.7556 -0.2306 1855SOL OH221691 1.620 4.078 7.551 0.4086 0.0451 0.1510 1855SOL H121692 1.624 4.163 7.506 -0.6840 0.4267 0.7416 1855SOL H221693 1.578 4.019 7.489 -0.7789 0.4854 0.5049 1856SOL OH221694 3.849 5.980 1.688 -0.2224 0.0345 0.2655 1856SOL H121695 3.892 5.980 1.602 -0.6316 -0.5202 0.0535 1856SOL H221696 3.873 5.897 1.727 -0.4257 0.0830 0.4956 1857SOL OH221697 5.982 4.825 1.256 0.2143 -0.2681 -0.0709 1857SOL H121698 5.957 4.756 1.194 -0.1843 0.4021 -0.6587 1857SOL H221699 5.901 4.873 1.273 0.4428 -0.0930 0.5233 1858SOL OH221700 0.477 3.742 2.423 -0.3379 -0.3752 -0.2843 1858SOL H121701 0.421 3.668 2.449 0.2602 -0.5008 0.7138 1858SOL H221702 0.419 3.817 2.423 -0.4966 -0.4781 0.9041 1859SOL OH221703 3.804 3.143 6.643 -0.1808 -0.0779 -0.3772 1859SOL H121704 3.747 3.209 6.682 -0.2276 -0.5883 0.4429 1859SOL H221705 3.887 3.189 6.629 -0.6698 0.5713 -1.2573 1860SOL OH221706 1.673 5.271 6.099 -0.5523 -0.3097 -0.7306 1860SOL H121707 1.727 5.328 6.154 -1.4517 1.0221 -1.1814 1860SOL H221708 1.728 5.253 6.022 -0.5933 0.7304 -1.0161 1861SOL OH221709 0.955 1.115 1.673 0.2737 0.8361 0.1023 1861SOL H121710 1.020 1.171 1.631 1.0712 0.8453 1.3188 1861SOL H221711 0.981 1.112 1.765 -1.6564 1.1527 0.7127 1862SOL OH221712 0.622 5.358 2.085 0.0987 0.2505 -0.2538 1862SOL H121713 0.716 5.374 2.091 0.0348 0.1276 2.0714 1862SOL H221714 0.591 5.422 2.021 1.5919 1.0559 -0.2344 1863SOL OH221715 1.856 4.712 0.383 0.4322 -0.5092 0.0798 1863SOL H121716 1.770 4.754 0.380 0.5974 -0.0786 0.9400 1863SOL H221717 1.875 4.690 0.292 -0.7739 -1.0053 -0.0712 1864SOL OH221718 6.023 3.456 2.038 0.3587 -0.2328 0.0335 1864SOL H121719 6.103 3.447 2.090 0.0445 -1.0200 0.4038 1864SOL H221720 6.053 3.484 1.952 0.8379 1.8706 0.8268 1865SOL OH221721 3.946 1.997 0.999 -0.0026 -0.0979 0.3459 1865SOL H121722 3.996 1.947 0.935 0.0027 1.0097 -0.5461 1865SOL H221723 4.012 2.027 1.062 0.1477 -0.3072 0.2890 1866SOL OH221724 4.138 3.901 6.820 0.3659 -0.6216 0.0651 1866SOL H121725 4.052 3.861 6.824 0.0122 0.2468 2.3925 1866SOL H221726 4.130 3.970 6.753 -0.2952 -1.4796 -0.7577 1867SOL OH221727 2.614 1.759 8.073 -0.2476 -0.3083 0.5885 1867SOL H121728 2.551 1.831 8.077 1.0263 0.9789 -0.8638 1867SOL H221729 2.584 1.705 8.000 0.7736 0.8442 -0.7533 1868SOL OH221730 0.072 4.651 7.133 0.2112 0.1757 -0.1273 1868SOL H121731 0.021 4.599 7.195 0.9627 0.2495 0.5798 1868SOL H221732 0.145 4.684 7.185 0.9728 0.0786 -1.1031 1869SOL OH221733 1.926 3.274 2.383 -0.1710 0.2214 -0.1710 1869SOL H121734 1.869 3.201 2.359 0.1306 0.2855 -1.1206 1869SOL H221735 2.002 3.233 2.423 0.0797 -0.0079 -0.8686 1870SOL OH221736 1.515 0.818 1.977 0.6341 0.0757 0.3048 1870SOL H121737 1.592 0.869 1.951 0.4950 0.6722 1.0373 1870SOL H221738 1.540 0.727 1.960 0.7852 0.3858 -1.2791 1871SOL OH221739 1.089 2.545 2.159 -0.1871 0.5488 0.4953 1871SOL H121740 1.058 2.549 2.069 0.5300 0.2658 0.2267 1871SOL H221741 1.085 2.452 2.182 2.3521 0.1548 -0.2655 1872SOL OH221742 2.380 2.372 7.646 0.2781 0.0204 0.3417 1872SOL H121743 2.406 2.435 7.714 -0.0202 1.1203 -0.5528 1872SOL H221744 2.436 2.393 7.571 -1.8018 1.1879 -0.9762 1873SOL OH221745 1.317 5.667 6.694 -0.5049 0.0952 -0.1336 1873SOL H121746 1.362 5.585 6.712 0.0823 0.5928 0.7193 1873SOL H221747 1.387 5.732 6.688 -0.9686 0.5527 -0.7265 1874SOL OH221748 0.743 1.030 7.259 0.1609 -0.2553 -0.2984 1874SOL H121749 0.756 1.125 7.252 0.9462 -0.4132 -1.1269 1874SOL H221750 0.649 1.020 7.273 0.4612 0.8324 3.6422 1875SOL OH221751 0.328 3.520 7.553 -0.0577 -0.3248 -0.2103 1875SOL H121752 0.351 3.509 7.645 -2.3308 2.0238 0.7872 1875SOL H221753 0.234 3.503 7.549 -0.2780 0.9417 -1.8092 1876SOL OH221754 3.384 0.629 1.168 0.0187 0.2090 0.7109 1876SOL H121755 3.424 0.631 1.081 -0.3292 -1.0974 0.5069 1876SOL H221756 3.393 0.719 1.200 -0.2489 0.8276 -0.8470 1877SOL OH221757 2.086 5.620 1.419 -0.5133 -0.1128 0.5636 1877SOL H121758 2.068 5.701 1.371 -4.1011 -1.6967 -1.1403 1877SOL H221759 2.181 5.618 1.429 0.0994 2.2851 -3.0509 1878SOL OH221760 2.729 5.326 1.764 -0.2730 0.2361 -0.3505 1878SOL H121761 2.705 5.289 1.679 0.6499 0.3594 -0.6687 1878SOL H221762 2.750 5.249 1.818 0.7244 0.2340 -0.7284 1879SOL OH221763 3.240 0.984 6.891 -0.3573 0.4421 -1.0491 1879SOL H121764 3.281 1.026 6.815 3.4204 -1.3679 -0.2219 1879SOL H221765 3.229 1.055 6.954 0.3639 1.2444 -1.7840 1880SOL OH221766 1.625 5.653 1.134 0.2575 -0.8054 -0.0632 1880SOL H121767 1.570 5.693 1.201 1.7347 -0.7620 1.1715 1880SOL H221768 1.691 5.719 1.115 0.8696 -1.4793 -0.2967 1881SOL OH221769 5.536 5.792 1.746 0.5341 0.2120 -0.9352 1881SOL H121770 5.615 5.844 1.732 0.9503 -0.3728 -0.7860 1881SOL H221771 5.567 5.702 1.752 -0.1525 -0.0313 -0.9400 1882SOL OH221772 2.834 1.765 8.268 -0.2193 0.2426 -0.3950 1882SOL H121773 2.752 1.812 8.280 0.4671 1.2912 0.3853 1882SOL H221774 2.896 1.810 8.326 0.7484 -0.9183 -0.4926 1883SOL OH221775 4.358 0.764 1.197 0.4142 0.3746 -0.5682 1883SOL H121776 4.390 0.700 1.260 2.7903 0.5265 -1.5241 1883SOL H221777 4.324 0.835 1.250 0.1562 -0.5303 0.5151 1884SOL OH221778 3.328 1.410 0.586 0.3782 -0.2695 0.3038 1884SOL H121779 3.311 1.502 0.605 -0.0858 -0.2835 -0.0110 1884SOL H221780 3.279 1.393 0.506 0.0402 -0.9281 0.6444 1885SOL OH221781 3.994 2.275 8.183 0.3138 0.0898 -0.1965 1885SOL H121782 4.024 2.211 8.119 0.3410 0.8106 -0.9127 1885SOL H221783 3.900 2.283 8.168 0.3897 0.5715 -0.4346 1886SOL OH221784 3.583 0.777 2.410 0.2325 -0.5193 -0.4617 1886SOL H121785 3.511 0.832 2.380 -1.0518 -2.0630 -0.2901 1886SOL H221786 3.541 0.700 2.449 1.9589 -1.2823 -0.0032 1887SOL OH221787 1.645 0.493 8.230 -0.0649 -0.2924 0.1311 1887SOL H121788 1.644 0.428 8.300 -1.3871 -0.7902 -0.3189 1887SOL H221789 1.654 0.442 8.150 0.0968 0.1686 -0.1510 1888SOL OH221790 4.849 0.562 1.896 -0.1589 0.0710 -0.4348 1888SOL H121791 4.798 0.539 1.974 -0.0267 1.1860 -0.0123 1888SOL H221792 4.939 0.570 1.927 -0.3303 2.0731 -0.3641 1889SOL OH221793 1.245 5.192 8.024 -0.0226 0.0829 -0.1944 1889SOL H121794 1.307 5.171 7.953 0.6843 -0.6713 0.6224 1889SOL H221795 1.171 5.133 8.010 -0.0998 0.2643 -0.5711 1890SOL OH221796 4.631 5.418 2.479 0.3770 0.1619 0.0040 1890SOL H121797 4.554 5.425 2.535 0.2139 -1.6305 0.0613 1890SOL H221798 4.696 5.372 2.532 1.0547 0.5537 -0.4692 1891SOL OH221799 4.580 1.713 8.111 0.5285 -0.2458 -0.2125 1891SOL H121800 4.595 1.805 8.091 1.7783 -0.5959 -0.9850 1891SOL H221801 4.633 1.665 8.047 -0.0981 -1.5030 0.1705 1892SOL OH221802 4.265 2.229 2.947 -0.0214 -0.1500 -0.1569 1892SOL H121803 4.172 2.244 2.963 -0.1366 0.6101 -1.3574 1892SOL H221804 4.280 2.266 2.859 1.0767 -1.6378 -0.6310 1893SOL OH221805 2.165 2.809 7.388 0.5458 -0.1932 -0.4019 1893SOL H121806 2.123 2.751 7.452 0.7198 -0.6751 -0.7157 1893SOL H221807 2.114 2.799 7.309 0.5236 0.1580 -0.4335 1894SOL OH221808 3.482 1.669 8.191 -0.1290 -0.0655 0.5430 1894SOL H121809 3.401 1.625 8.219 -0.3894 0.8894 1.3529 1894SOL H221810 3.549 1.637 8.252 0.2339 -1.2188 -0.4189 1895SOL OH221811 4.186 1.357 7.909 -0.3909 -0.2043 -0.3180 1895SOL H121812 4.150 1.339 7.996 -0.1232 2.8517 0.5288 1895SOL H221813 4.170 1.450 7.894 1.5233 -0.1261 -2.6150 1896SOL OH221814 4.087 4.601 2.177 -0.1094 -0.1069 0.5645 1896SOL H121815 4.128 4.557 2.252 -0.6896 -0.5486 0.6290 1896SOL H221816 4.160 4.638 2.128 0.5598 -2.6304 -0.4686 1897SOL OH221817 4.309 1.993 0.107 0.6111 0.1571 0.0130 1897SOL H121818 4.348 1.950 0.031 0.0527 0.0394 -0.2085 1897SOL H221819 4.323 1.931 0.179 -0.5672 -0.6133 -0.3885 1898SOL OH221820 1.930 3.235 1.279 -0.2842 -0.4537 0.4236 1898SOL H121821 1.995 3.274 1.220 -0.1473 -1.0682 0.1561 1898SOL H221822 1.860 3.300 1.285 0.0618 -0.0559 0.2093 1899SOL OH221823 2.330 4.530 0.595 0.2037 0.0761 -0.2316 1899SOL H121824 2.258 4.577 0.637 1.8600 1.8119 0.7961 1899SOL H221825 2.352 4.582 0.518 0.1962 -0.6127 -0.7140 1900SOL OH221826 4.341 1.447 7.464 -0.1667 -0.1608 0.7458 1900SOL H121827 4.434 1.434 7.447 -0.7254 -0.5700 -2.6525 1900SOL H221828 4.304 1.359 7.471 -0.5705 -0.0240 0.3717 1901SOL OH221829 3.436 3.263 7.304 -0.3577 -0.1485 0.0410 1901SOL H121830 3.482 3.267 7.220 -0.8239 0.8145 -0.1786 1901SOL H221831 3.349 3.298 7.286 -0.8804 -1.0949 0.6632 1902SOL OH221832 5.424 3.240 1.375 -0.6516 0.0754 -0.0821 1902SOL H121833 5.365 3.166 1.391 -0.9889 0.7118 1.9637 1902SOL H221834 5.448 3.270 1.463 2.1769 0.3039 -0.8459 1903SOL OH221835 2.249 5.769 6.628 -0.0788 -0.4854 0.0416 1903SOL H121836 2.191 5.724 6.690 -0.9298 -0.0591 -0.4255 1903SOL H221837 2.326 5.713 6.622 -1.7023 -2.7242 -1.6904 1904SOL OH221838 2.221 3.821 7.631 0.7319 0.6834 -0.0160 1904SOL H121839 2.135 3.840 7.670 1.0124 -1.0229 1.5991 1904SOL H221840 2.274 3.897 7.653 0.0904 1.0034 0.4797 1905SOL OH221841 5.910 5.447 0.420 -0.0822 -0.4981 1.1615 1905SOL H121842 5.883 5.381 0.483 1.7022 -2.3397 0.1125 1905SOL H221843 5.966 5.401 0.358 1.5985 2.0628 0.5843 1906SOL OH221844 5.137 1.283 1.189 0.0589 -0.6620 0.0578 1906SOL H121845 5.050 1.287 1.229 1.3036 2.7225 2.9075 1906SOL H221846 5.172 1.198 1.215 -1.3674 -0.9352 1.2050 1907SOL OH221847 5.845 3.809 2.531 -0.2001 0.1962 0.1213 1907SOL H121848 5.940 3.817 2.525 0.1706 -2.9222 0.2101 1907SOL H221849 5.831 3.736 2.591 -2.7267 1.4040 1.1377 1908SOL OH221850 1.384 1.171 6.922 -0.1489 0.0912 -0.2860 1908SOL H121851 1.313 1.107 6.919 -0.0203 -0.1149 0.6938 1908SOL H221852 1.414 1.179 6.832 -1.7848 0.5989 -0.8147 1909SOL OH221853 3.079 0.258 8.313 0.0088 -0.0958 -0.3708 1909SOL H121854 3.135 0.184 8.334 0.5322 -0.3112 -2.3388 1909SOL H221855 3.120 0.332 8.356 0.3228 -0.6861 0.3744 1910SOL OH221856 5.674 1.712 1.046 -0.0848 0.1236 -0.0777 1910SOL H121857 5.629 1.633 1.076 0.2298 0.0583 0.2304 1910SOL H221858 5.687 1.764 1.125 -1.3658 1.0472 -0.4483 1911SOL OH221859 5.492 3.301 7.224 0.2238 0.1503 -0.7725 1911SOL H121860 5.507 3.372 7.162 -3.4241 1.1791 -0.6536 1911SOL H221861 5.499 3.221 7.171 1.4780 0.7165 -1.5164 1912SOL OH221862 4.745 0.128 1.071 0.0509 0.0810 -0.2324 1912SOL H121863 4.757 0.112 0.978 0.1929 0.3462 -0.2594 1912SOL H221864 4.826 0.170 1.099 0.6988 -1.4932 0.3589 1913SOL OH221865 2.468 4.997 7.467 -0.1404 0.0029 1.0681 1913SOL H121866 2.395 4.940 7.446 0.0817 0.2707 -0.6085 1913SOL H221867 2.506 4.960 7.547 -0.8823 -1.3218 0.8350 1914SOL OH221868 3.276 4.206 1.681 0.3588 -0.5954 0.0112 1914SOL H121869 3.186 4.238 1.672 1.4205 2.5444 -0.7320 1914SOL H221870 3.280 4.169 1.769 -1.8574 -1.6954 -0.2908 1915SOL OH221871 3.408 4.235 8.154 -0.1156 -0.0054 -0.5298 1915SOL H121872 3.342 4.297 8.123 -1.4439 -1.0426 0.1211 1915SOL H221873 3.358 4.160 8.186 1.2955 -0.1186 1.6344 1916SOL OH221874 0.035 4.213 1.417 0.5394 0.0754 0.1361 1916SOL H121875 0.071 4.288 1.466 0.7330 -0.7375 1.2810 1916SOL H221876 0.112 4.159 1.398 0.4081 0.1811 -0.7559 1917SOL OH221877 1.593 3.421 0.752 -0.5574 0.2857 0.2898 1917SOL H121878 1.536 3.359 0.708 1.0318 0.0047 -1.4842 1917SOL H221879 1.662 3.441 0.689 0.4027 1.9005 1.7281 1918SOL OH221880 3.237 4.045 8.249 -0.0168 0.2312 0.7267 1918SOL H121881 3.150 4.076 8.273 -0.0006 0.2845 0.7156 1918SOL H221882 3.257 3.978 8.315 0.1058 0.5102 0.9739 1919SOL OH221883 3.241 4.419 0.287 0.2708 0.1538 -0.0173 1919SOL H121884 3.287 4.342 0.252 0.4057 1.5752 -3.2915 1919SOL H221885 3.148 4.397 0.279 0.3074 -0.1345 0.2927 1920SOL OH221886 2.762 4.624 7.489 -0.1480 -0.1984 0.1972 1920SOL H121887 2.726 4.650 7.404 0.3745 0.1918 0.0872 1920SOL H221888 2.846 4.669 7.493 -0.4961 0.3885 1.2457 1921SOL OH221889 3.771 3.099 2.972 -0.1991 0.5168 -0.1212 1921SOL H121890 3.858 3.121 3.006 -0.9766 2.0002 1.0012 1921SOL H221891 3.750 3.016 3.014 0.1397 0.8109 0.6622 1922SOL OH221892 4.441 0.540 7.119 -0.2484 -0.2827 0.3842 1922SOL H121893 4.456 0.456 7.076 0.7736 -0.3800 0.8914 1922SOL H221894 4.444 0.520 7.212 -0.4150 0.2456 0.5043 1923SOL OH221895 3.953 4.432 8.000 0.0144 0.3938 -0.2620 1923SOL H121896 3.926 4.464 7.914 1.3452 -0.1052 -0.8884 1923SOL H221897 3.882 4.373 8.027 -0.7807 1.1448 -0.6514 1924SOL OH221898 4.590 5.941 1.258 -0.1539 -0.4759 -0.6750 1924SOL H121899 4.520 5.895 1.210 -0.9046 -0.9040 0.7579 1924SOL H221900 4.650 5.970 1.190 -0.4049 -2.3272 -1.7783 1925SOL OH221901 2.496 3.394 1.098 -0.1553 -0.5284 0.1582 1925SOL H121902 2.555 3.385 1.023 0.9815 -1.4409 1.1187 1925SOL H221903 2.521 3.477 1.138 -0.1721 -0.4620 0.0338 1926SOL OH221904 4.258 0.566 6.506 -0.2000 -0.1952 0.2426 1926SOL H121905 4.352 0.545 6.508 -0.1626 -0.4083 -1.5247 1926SOL H221906 4.220 0.498 6.450 -1.0342 1.1350 -0.8723 1927SOL OH221907 3.586 3.928 8.242 -0.2422 -0.2293 -0.0190 1927SOL H121908 3.529 3.864 8.200 0.8016 -1.1761 -0.0389 1927SOL H221909 3.528 3.976 8.301 -0.9242 -1.7431 0.6158 1928SOL OH221910 2.560 4.457 1.866 -0.0919 0.1370 0.4181 1928SOL H121911 2.504 4.442 1.790 -1.2725 0.5555 1.1960 1928SOL H221912 2.589 4.369 1.891 -0.7288 -0.1280 0.2552 1929SOL OH221913 3.957 3.812 0.175 0.4200 0.1964 0.3152 1929SOL H121914 3.979 3.726 0.211 -1.9435 -0.5316 0.1875 1929SOL H221915 3.945 3.869 0.251 -0.3379 -0.2216 0.5152 1930SOL OH221916 2.756 1.896 2.293 -0.2369 -0.2230 0.0688 1930SOL H121917 2.833 1.860 2.337 -1.7756 -2.2415 1.3220 1930SOL H221918 2.768 1.991 2.297 0.8799 -0.3859 2.6993 1931SOL OH221919 5.477 2.621 7.076 -0.6340 -0.4173 0.4572 1931SOL H121920 5.470 2.621 7.171 0.5758 0.8530 0.5877 1931SOL H221921 5.571 2.614 7.059 -0.7431 0.4393 -0.5972 1932SOL OH221922 3.006 0.851 6.927 -0.3192 0.2484 -0.4033 1932SOL H121923 2.940 0.908 6.886 -0.1991 0.4377 -0.3383 1932SOL H221924 3.089 0.897 6.912 -0.3089 0.5079 0.3611 1933SOL OH221925 3.403 0.962 7.113 0.3389 -1.0270 0.2749 1933SOL H121926 3.372 0.977 7.024 1.6352 2.9196 0.2760 1933SOL H221927 3.498 0.966 7.107 0.4423 0.1074 1.8527 1934SOL OH221928 1.666 2.709 6.671 0.2192 -0.8760 0.2629 1934SOL H121929 1.688 2.671 6.756 -0.6549 -1.3457 0.2945 1934SOL H221930 1.724 2.665 6.609 0.5352 -0.8745 0.5558 1935SOL OH221931 5.976 1.293 0.390 -0.0419 -0.2362 0.4005 1935SOL H121932 6.053 1.238 0.405 1.6520 2.0346 0.5633 1935SOL H221933 6.004 1.381 0.416 -2.8702 0.6073 0.9091 1936SOL OH221934 4.767 1.046 7.481 -0.5679 -0.7672 0.0910 1936SOL H121935 4.770 0.986 7.555 1.4363 -1.5606 -0.5764 1936SOL H221936 4.724 0.995 7.411 -0.4047 -0.8176 0.0279 1937SOL OH221937 2.725 3.462 7.623 0.1024 -0.2746 0.2296 1937SOL H121938 2.755 3.444 7.534 -0.4995 -0.8964 0.1437 1937SOL H221939 2.632 3.438 7.622 -0.2430 0.9367 0.6801 1938SOL OH221940 2.858 2.269 1.682 -0.8035 0.1833 -0.0414 1938SOL H121941 2.865 2.341 1.620 0.7422 -0.0869 -0.2361 1938SOL H221942 2.849 2.311 1.767 0.3567 0.6433 -0.1228 1939SOL OH221943 2.578 2.048 6.663 -0.3654 -0.3224 0.0366 1939SOL H121944 2.513 2.118 6.671 -1.4922 -0.9496 -2.7247 1939SOL H221945 2.655 2.091 6.627 -0.2199 -0.1017 0.5972 1940SOL OH221946 3.029 2.593 1.772 0.4345 -0.0006 0.2243 1940SOL H121947 3.027 2.671 1.828 -0.4796 0.2904 -0.1956 1940SOL H221948 3.111 2.549 1.796 0.4932 0.5785 1.1524 1941SOL OH221949 0.527 3.883 6.531 0.5945 0.3087 0.2460 1941SOL H121950 0.462 3.939 6.575 0.3809 0.2749 -0.0256 1941SOL H221951 0.565 3.939 6.464 0.2353 0.0708 -0.1623 1942SOL OH221952 3.305 4.403 6.897 0.2350 -0.1681 -0.2212 1942SOL H121953 3.292 4.364 6.811 -1.1220 0.8833 -0.5383 1942SOL H221954 3.355 4.483 6.880 1.5797 -0.8867 0.2184 1943SOL OH221955 4.043 4.725 0.595 0.4037 -0.7089 -0.3053 1943SOL H121956 4.067 4.733 0.503 0.2660 -0.9135 -0.3603 1943SOL H221957 4.126 4.728 0.643 0.3608 1.3000 -0.2924 1944SOL OH221958 3.338 3.113 1.995 0.1817 0.2358 0.2165 1944SOL H121959 3.276 3.071 1.935 0.2908 0.1915 0.1325 1944SOL H221960 3.285 3.142 2.068 -0.1450 1.3464 -0.4410 1945SOL OH221961 3.030 3.726 7.163 0.0996 -0.1199 0.3378 1945SOL H121962 3.010 3.816 7.188 -1.3737 -0.2588 -0.2252 1945SOL H221963 3.122 3.715 7.184 0.0985 1.2594 1.1762 1946SOL OH221964 1.820 1.163 1.727 -0.7175 0.4630 -0.6183 1946SOL H121965 1.903 1.119 1.707 0.0635 0.9342 1.2866 1946SOL H221966 1.846 1.250 1.758 -1.8340 0.3634 0.7181 1947SOL OH221967 0.256 1.705 8.034 0.0587 -0.6329 -0.1821 1947SOL H121968 0.284 1.768 7.968 1.7819 0.0184 1.0959 1947SOL H221969 0.312 1.629 8.021 1.0579 -0.1509 1.0401 1948SOL OH221970 0.956 0.479 1.002 0.1727 -0.2898 0.3694 1948SOL H121971 0.941 0.478 1.096 -0.5244 0.6560 0.2767 1948SOL H221972 0.984 0.568 0.983 1.3043 -0.7340 -0.1905 1949SOL OH221973 0.381 4.382 1.169 -0.4925 0.1952 0.0175 1949SOL H121974 0.382 4.288 1.151 -0.2975 -0.3339 2.4001 1949SOL H221975 0.453 4.417 1.117 -0.6865 -0.9309 -1.0635 1950SOL OH221976 3.108 4.121 7.705 -0.7102 -0.1651 0.6054 1950SOL H121977 3.134 4.035 7.739 -0.4321 0.0547 0.9518 1950SOL H221978 3.025 4.139 7.749 -0.3337 0.1338 1.1954 1951SOL OH221979 2.153 1.945 7.115 0.3456 0.5487 0.5270 1951SOL H121980 2.194 1.968 7.198 0.3510 0.7386 0.4721 1951SOL H221981 2.095 2.019 7.095 -0.2169 0.1733 0.7285 1952SOL OH221982 5.637 2.300 7.556 -0.2562 -0.3837 0.1942 1952SOL H121983 5.698 2.271 7.489 -0.8375 -2.1043 0.3703 1952SOL H221984 5.650 2.395 7.561 2.1195 -0.6413 -0.0147 1953SOL OH221985 1.141 4.858 0.373 -0.1162 0.3778 0.5647 1953SOL H121986 1.176 4.921 0.435 -1.7324 -0.5695 2.5746 1953SOL H221987 1.049 4.880 0.365 -0.2354 -0.3904 -0.4222 1954SOL OH221988 4.096 1.839 7.531 -0.3289 0.2619 -0.8741 1954SOL H121989 4.103 1.862 7.438 2.0666 0.4169 -0.7231 1954SOL H221990 4.158 1.897 7.575 0.7494 -1.7600 0.4195 1955SOL OH221991 5.020 2.291 1.859 0.1956 -0.5619 -0.2295 1955SOL H121992 5.077 2.314 1.932 0.0122 0.8931 -0.5283 1955SOL H221993 4.943 2.346 1.870 -1.5532 -2.9787 0.5763 1956SOL OH221994 0.223 1.732 8.329 -0.7005 0.0436 0.4079 1956SOL H121995 0.140 1.779 8.331 -0.3854 0.5790 1.8250 1956SOL H221996 0.242 1.721 8.236 -1.5611 1.3425 0.0541 1957SOL OH221997 5.580 4.596 7.483 0.2025 0.3679 0.1164 1957SOL H121998 5.489 4.567 7.478 0.4984 -0.5924 0.1082 1957SOL H221999 5.574 4.691 7.491 -0.8368 0.2450 1.2457 1958SOL OH222000 3.876 0.846 2.090 0.4386 0.0940 0.9577 1958SOL H122001 3.802 0.904 2.109 -0.1382 0.0960 -1.1171 1958SOL H222002 3.848 0.760 2.122 -1.8570 -0.6201 -2.4588 1959SOL OH222003 4.748 4.186 0.706 -0.7180 -0.0765 -0.5632 1959SOL H122004 4.767 4.256 0.644 1.8634 0.6786 0.9216 1959SOL H222005 4.831 4.140 0.715 -1.7202 -1.7919 0.3987 1960SOL OH222006 1.939 5.056 7.942 0.7642 -0.4027 -0.1784 1960SOL H122007 1.994 5.116 7.892 -0.8935 1.2511 -0.1183 1960SOL H222008 1.910 4.992 7.877 -0.0647 0.7826 -1.0203 1961SOL OH222009 1.869 3.551 7.602 0.2041 -0.3538 0.0469 1961SOL H122010 1.916 3.490 7.544 0.9497 0.4662 -0.2324 1961SOL H222011 1.795 3.582 7.550 0.8127 0.2991 -0.4503 1962SOL OH222012 4.607 3.242 1.922 -0.1082 0.2756 0.3686 1962SOL H122013 4.536 3.306 1.913 0.1152 0.5821 0.7633 1962SOL H222014 4.647 3.263 2.006 0.2407 -0.1116 0.2989 1963SOL OH222015 0.463 2.910 6.659 -0.5385 0.5862 -0.7398 1963SOL H122016 0.382 2.864 6.676 -0.0590 0.2083 0.6422 1963SOL H222017 0.506 2.859 6.590 -0.4328 -0.5128 0.1282 1964SOL OH222018 1.857 5.802 2.560 -0.4929 -0.2226 0.1267 1964SOL H122019 1.926 5.745 2.525 -1.3298 -0.1706 -1.7235 1964SOL H222020 1.892 5.832 2.644 1.8321 -0.0429 -0.8142 1965SOL OH222021 2.933 0.291 0.491 0.3088 -0.0235 0.1736 1965SOL H122022 3.004 0.230 0.510 1.5427 1.1958 -0.3443 1965SOL H222023 2.913 0.276 0.398 1.3456 1.0485 -0.2457 1966SOL OH222024 0.494 1.223 6.955 0.0109 0.0160 -0.5649 1966SOL H122025 0.586 1.217 6.930 0.4110 -0.3140 0.9283 1966SOL H222026 0.474 1.317 6.951 -0.0142 -0.0164 -2.2184 1967SOL OH222027 4.970 -0.005 7.727 0.1185 -0.1784 0.3577 1967SOL H122028 5.048 0.038 7.694 0.0467 -0.5927 -0.3932 1967SOL H222029 4.900 0.022 7.667 0.0999 -1.4244 -0.2114 1968SOL OH222030 4.916 2.612 6.349 -0.4551 0.1192 0.3000 1968SOL H122031 4.930 2.624 6.443 -0.9695 -1.6296 0.6497 1968SOL H222032 5.000 2.631 6.309 -0.1245 0.5022 1.1652 1969SOL OH222033 5.481 2.031 7.264 -0.2819 0.0526 0.4584 1969SOL H122034 5.480 2.100 7.197 -0.8606 -0.1433 0.2582 1969SOL H222035 5.471 1.950 7.214 -0.2304 -0.1291 0.7462 1970SOL OH222036 3.921 4.125 7.304 0.4667 -0.1471 -0.1649 1970SOL H122037 3.904 4.030 7.303 0.7998 -0.2046 -0.8745 1970SOL H222038 3.907 4.150 7.395 -2.1259 -0.4044 -0.4184 1971SOL OH222039 1.185 0.993 7.010 -0.3386 0.1125 0.4424 1971SOL H122040 1.181 0.978 7.104 2.0111 -0.0697 0.5698 1971SOL H222041 1.200 0.906 6.973 2.5592 0.5987 0.2795 1972SOL OH222042 0.906 2.586 7.837 0.3775 -0.3611 0.1572 1972SOL H122043 0.822 2.630 7.853 -1.2327 -2.2258 -2.4003 1972SOL H222044 0.943 2.632 7.761 1.5483 0.2304 1.0611 1973SOL OH222045 5.601 3.121 0.613 -0.3568 0.2133 -0.0091 1973SOL H122046 5.559 3.043 0.649 1.7561 -0.4994 1.0970 1973SOL H222047 5.694 3.099 0.610 0.0517 1.8514 -1.9419 1974SOL OH222048 4.730 1.801 0.332 -0.0449 -0.2705 0.2077 1974SOL H122049 4.816 1.776 0.366 1.3513 3.3448 -0.2072 1974SOL H222050 4.728 1.897 0.341 -3.1874 -0.0210 -1.7554 1975SOL OH222051 4.262 0.970 1.968 0.2593 -0.0467 -0.1512 1975SOL H122052 4.301 0.885 1.987 1.8737 -0.0467 -2.8565 1975SOL H222053 4.177 0.951 1.930 -0.6128 -0.2716 1.8463 1976SOL OH222054 5.187 0.491 0.745 0.2249 -0.0309 -0.5665 1976SOL H122055 5.091 0.494 0.747 0.1654 -1.5444 0.2774 1976SOL H222056 5.209 0.403 0.776 1.9219 0.8359 0.9203 1977SOL OH222057 4.932 2.155 0.909 0.4245 0.4183 -0.2975 1977SOL H122058 4.842 2.184 0.926 -0.9459 -2.4265 -1.8748 1977SOL H222059 4.922 2.075 0.857 3.9162 0.1417 -0.7987 1978SOL OH222060 5.453 4.692 1.072 0.1646 -0.0314 -0.1432 1978SOL H122061 5.503 4.670 0.993 -0.3938 1.0492 -0.8182 1978SOL H222062 5.520 4.711 1.137 0.7088 -3.2980 0.4448 1979SOL OH222063 1.487 0.902 2.244 0.1443 -0.1459 -0.3195 1979SOL H122064 1.504 0.857 2.327 -0.0430 -0.8468 -0.6571 1979SOL H222065 1.521 0.843 2.177 1.8695 1.1548 -0.6801 1980SOL OH222066 0.870 1.658 1.028 -0.3138 0.2936 -0.8782 1980SOL H122067 0.920 1.726 1.073 -1.0692 0.0925 0.3246 1980SOL H222068 0.787 1.701 1.005 -0.5805 -0.0565 -0.5912 1981SOL OH222069 3.685 2.065 8.341 -0.2770 0.4440 -0.4024 1981SOL H122070 3.765 2.016 8.356 0.2320 1.2684 -0.3598 1981SOL H222071 3.704 2.118 8.263 -1.2560 -0.3485 -1.2147 1982SOL OH222072 0.258 2.984 1.038 -0.7466 -0.3095 -0.2809 1982SOL H122073 0.190 2.997 0.972 -1.3821 -0.7210 0.2727 1982SOL H222074 0.230 2.905 1.086 -0.1124 -0.2278 0.2445 1983SOL OH222075 0.027 4.450 7.366 -0.2141 -0.3615 -0.0314 1983SOL H122076 0.069 4.366 7.347 -0.7614 -0.8919 1.0235 1983SOL H222077 0.094 4.501 7.410 0.3425 0.0324 -1.2941 1984SOL OH222078 2.053 3.102 0.579 -0.1980 -0.1826 0.2873 1984SOL H122079 2.003 3.028 0.614 0.0879 -0.2169 0.6398 1984SOL H222080 2.138 3.064 0.555 -0.0598 0.0209 0.4438 1985SOL OH222081 3.662 0.944 1.859 0.1774 -0.4631 -0.0718 1985SOL H122082 3.611 1.016 1.821 -0.1893 -0.5447 0.2512 1985SOL H222083 3.599 0.898 1.915 0.6316 -0.5039 0.4172 1986SOL OH222084 5.550 5.135 0.616 -0.1790 -0.4639 0.9492 1986SOL H122085 5.573 5.221 0.581 -0.3923 -0.7012 0.2042 1986SOL H222086 5.540 5.079 0.538 0.8441 -1.3890 1.4386 1987SOL OH222087 5.194 2.370 2.038 -0.3667 0.1771 0.1838 1987SOL H122088 5.168 2.459 2.060 0.9246 0.6275 -0.0404 1987SOL H222089 5.226 2.333 2.121 -1.7403 -0.4228 0.4894 1988SOL OH222090 3.689 2.054 7.941 -0.0007 -0.1325 0.6385 1988SOL H122091 3.705 2.034 7.849 -0.3040 1.9603 0.0983 1988SOL H222092 3.634 1.982 7.971 -0.0677 -0.7472 -0.8493 1989SOL OH222093 2.862 4.206 7.807 -0.4256 0.0311 -0.1971 1989SOL H122094 2.782 4.160 7.830 -0.3786 -0.3609 -0.7925 1989SOL H222095 2.915 4.204 7.887 -1.3501 1.0670 0.4717 1990SOL OH222096 5.025 2.403 0.848 -0.1733 0.4564 -0.1557 1990SOL H122097 5.115 2.411 0.881 -0.9319 1.8835 1.7706 1990SOL H222098 5.003 2.311 0.861 0.7122 0.2686 0.1333 1991SOL OH222099 6.011 3.870 7.405 -0.1032 -0.4101 0.4787 1991SOL H122100 6.016 3.809 7.331 0.9561 -0.9876 1.0056 1991SOL H222101 5.998 3.956 7.364 0.2315 -0.7491 -0.3678 1992SOL OH222102 4.715 1.422 0.095 -0.0420 -0.4749 0.3530 1992SOL H122103 4.734 1.443 0.004 -0.9704 -1.2607 -0.0396 1992SOL H222104 4.786 1.464 0.144 0.5270 -0.1188 -0.7272 1993SOL OH222105 2.846 5.114 7.444 0.1407 0.5010 0.1321 1993SOL H122106 2.803 5.199 7.437 2.5194 1.8618 0.9294 1993SOL H222107 2.854 5.099 7.538 1.5923 0.4267 0.0089 1994SOL OH222108 1.512 5.419 2.609 0.0211 0.0719 0.1499 1994SOL H122109 1.525 5.325 2.620 0.6649 -0.1675 -2.1079 1994SOL H222110 1.600 5.454 2.595 -0.2407 0.9962 0.7214 1995SOL OH222111 5.104 2.538 0.250 0.2618 -0.4211 0.3151 1995SOL H122112 5.082 2.595 0.323 0.7061 -0.9367 0.8678 1995SOL H222113 5.195 2.561 0.228 0.5479 -1.1104 0.7424 1996SOL OH222114 2.359 0.089 1.375 -0.4121 -0.0585 0.3873 1996SOL H122115 2.410 0.163 1.407 1.5022 -0.9499 -0.4831 1996SOL H222116 2.276 0.128 1.347 -0.0395 1.5039 1.3543 1997SOL OH222117 2.190 2.392 1.065 -0.0116 0.1626 0.2100 1997SOL H122118 2.265 2.445 1.039 -0.0721 -0.4297 -1.2593 1997SOL H222119 2.228 2.320 1.116 0.4587 -0.2751 -0.7440 1998SOL OH222120 3.089 4.040 0.163 0.5701 0.1802 0.6248 1998SOL H122121 3.157 3.973 0.156 0.8651 0.6200 -1.3963 1998SOL H222122 3.026 4.004 0.225 0.8876 -1.8400 -0.1469 1999SOL OH222123 5.520 3.550 1.422 0.5830 -0.3000 0.1871 1999SOL H122124 5.554 3.472 1.466 0.9804 0.0491 0.5206 1999SOL H222125 5.428 3.554 1.448 0.6374 -0.4927 0.4198 2000SOL OH222126 2.582 5.867 0.279 -0.5289 0.0017 -0.5035 2000SOL H122127 2.517 5.901 0.342 0.7373 -0.3300 1.0586 2000SOL H222128 2.666 5.875 0.325 0.3554 -0.9823 -1.8757 2001SOL OH222129 3.000 0.579 1.760 0.0138 -0.1652 -0.2533 2001SOL H122130 3.047 0.521 1.700 0.9165 -0.2280 0.5047 2001SOL H222131 3.039 0.562 1.846 -0.2512 0.9934 0.1145 2002SOL OH222132 1.204 1.441 1.764 0.2059 0.5802 0.1925 2002SOL H122133 1.134 1.463 1.704 -0.2887 0.6872 0.7996 2002SOL H222134 1.281 1.484 1.728 0.0591 0.1231 -0.7016 2003SOL OH222135 4.341 4.500 6.853 -0.4820 0.0465 -0.2503 2003SOL H122136 4.401 4.435 6.889 0.0725 0.7226 0.0784 2003SOL H222137 4.257 4.454 6.846 -0.2169 -0.5613 0.4246 2004SOL OH222138 1.793 1.686 1.992 0.2477 -0.2117 -0.5715 2004SOL H122139 1.733 1.735 1.935 -0.0541 -0.1986 -0.2467 2004SOL H222140 1.831 1.753 2.049 -2.3289 -0.6135 1.8732 2005SOL OH222141 1.614 5.817 7.067 -0.2139 0.0157 0.0552 2005SOL H122142 1.646 5.770 6.990 1.4834 -0.6066 1.0706 2005SOL H222143 1.623 5.754 7.139 -0.3128 1.0671 1.0216 2006SOL OH222144 3.059 0.426 6.898 0.4604 0.5014 -0.2007 2006SOL H122145 2.997 0.456 6.831 0.2512 0.1247 -0.1756 2006SOL H222146 3.059 0.331 6.890 -0.2312 0.3898 0.9220 2007SOL OH222147 2.912 5.534 1.844 -0.0099 0.4976 0.6612 2007SOL H122148 2.854 5.461 1.821 1.6492 -1.2998 1.8245 2007SOL H222149 2.872 5.611 1.802 -1.7780 -1.0728 -0.7279 2008SOL OH222150 4.510 2.929 7.277 -0.0476 0.3424 -0.2486 2008SOL H122151 4.505 2.834 7.292 -0.0333 0.3874 0.0528 2008SOL H222152 4.565 2.961 7.348 -0.1419 0.5916 -0.2882 2009SOL OH222153 4.006 3.363 1.356 0.0354 0.3505 -0.3581 2009SOL H122154 4.015 3.304 1.281 3.8976 -0.6485 0.6825 2009SOL H222155 3.940 3.321 1.411 -0.1099 -0.9071 -1.4299 2010SOL OH222156 5.386 0.286 1.129 0.2572 -0.0731 0.3064 2010SOL H122157 5.341 0.213 1.173 -0.1962 0.4721 0.7516 2010SOL H222158 5.475 0.254 1.116 0.2205 -0.4856 1.0405 2011SOL OH222159 2.200 2.778 0.561 -0.0217 0.2263 -0.1237 2011SOL H122160 2.251 2.701 0.588 0.4154 0.8373 0.8267 2011SOL H222161 2.111 2.744 0.547 0.1830 -0.4688 0.2178 2012SOL OH222162 4.556 1.571 1.893 0.5553 0.7460 0.2663 2012SOL H122163 4.545 1.601 1.803 2.4703 0.3086 -0.1689 2012SOL H222164 4.514 1.638 1.946 -0.9054 0.8365 -0.9563 2013SOL OH222165 1.914 4.439 7.211 0.1651 -0.2543 0.1255 2013SOL H122166 1.981 4.372 7.198 1.3198 0.7681 0.6982 2013SOL H222167 1.947 4.493 7.283 -1.6738 -0.2175 0.9980 2014SOL OH222168 4.697 3.703 0.915 -0.2762 -0.0357 0.1514 2014SOL H122169 4.735 3.725 0.830 -0.7082 -0.4553 -0.1496 2014SOL H222170 4.616 3.657 0.895 0.2617 -1.3173 0.7765 2015SOL OH222171 3.711 4.313 8.069 0.7296 -0.0979 0.6637 2015SOL H122172 3.660 4.238 8.101 -0.2038 -0.1541 -0.8335 2015SOL H222173 3.675 4.330 7.982 1.1637 1.8870 0.8324 2016SOL OH222174 3.753 4.707 2.314 -0.1969 0.4736 -0.6229 2016SOL H122175 3.763 4.632 2.256 0.0296 -0.4417 0.5377 2016SOL H222176 3.682 4.682 2.373 1.0379 0.3489 0.9123 2017SOL OH222177 2.212 4.996 6.900 -0.1845 -0.4736 0.1312 2017SOL H122178 2.259 4.922 6.862 -0.0359 0.6801 -2.1171 2017SOL H222179 2.126 4.995 6.858 0.1980 1.2131 -0.8132 2018SOL OH222180 5.981 4.700 1.750 0.3981 0.1270 0.0644 2018SOL H122181 5.993 4.651 1.668 -0.1808 -0.2654 0.2053 2018SOL H222182 6.067 4.697 1.792 0.3056 -1.0924 0.2303 2019SOL OH222183 2.480 1.635 7.888 0.0407 0.5366 0.8243 2019SOL H122184 2.504 1.588 7.809 -1.6491 -1.0458 1.1739 2019SOL H222185 2.427 1.573 7.938 -1.3371 2.4346 1.8749 2020SOL OH222186 5.657 5.975 0.299 -0.0532 0.6747 -0.1781 2020SOL H122187 5.593 6.031 0.344 -0.7443 -0.2698 0.0442 2020SOL H222188 5.610 5.893 0.284 0.5788 0.5370 -1.5188 2021SOL OH222189 1.296 2.442 2.978 -0.1763 0.3072 0.1732 2021SOL H122190 1.333 2.487 2.903 0.8254 -0.0755 0.4259 2021SOL H222191 1.202 2.440 2.961 -0.0491 0.9846 -0.6460 2022SOL OH222192 2.946 3.471 0.787 -0.7012 0.5799 -0.1331 2022SOL H122193 3.023 3.485 0.842 -0.8626 3.8622 -0.5469 2022SOL H222194 2.967 3.393 0.736 1.0976 -0.2673 1.7716 2023SOL OH222195 1.715 4.808 7.096 -0.3889 -0.9690 -0.4497 2023SOL H122196 1.806 4.777 7.093 -0.0106 -0.2830 1.9345 2023SOL H222197 1.709 4.869 7.022 0.6134 -2.1475 -1.5520 2024SOL OH222198 1.256 4.882 7.260 -0.7355 1.0818 0.2044 2024SOL H122199 1.331 4.863 7.203 -1.5376 -1.4563 -0.1496 2024SOL H222200 1.203 4.945 7.211 -1.3193 -0.9114 -1.8955 2025SOL OH222201 5.502 4.054 6.157 0.5741 -0.2721 0.3602 2025SOL H122202 5.565 4.005 6.105 -0.4653 -0.9523 -0.3041 2025SOL H222203 5.553 4.126 6.195 1.7996 -0.9770 0.1141 2026SOL OH222204 2.131 0.148 1.220 0.3063 -0.3175 -0.1026 2026SOL H122205 2.148 0.221 1.160 1.5748 -0.6564 -0.1877 2026SOL H222206 2.044 0.116 1.196 0.6172 -0.1671 -1.4683 2027SOL OH222207 3.588 0.859 0.620 -0.3083 -0.3563 0.7442 2027SOL H122208 3.549 0.771 0.619 0.2576 -0.6180 -0.6668 2027SOL H222209 3.653 0.855 0.689 0.1573 -1.2770 0.2788 2028SOL OH222210 2.046 0.943 1.319 -0.4358 0.2110 -0.1475 2028SOL H122211 2.117 1.003 1.341 1.1855 -1.6280 -0.1629 2028SOL H222212 1.998 0.932 1.401 1.3498 -1.1241 0.7766 2029SOL OH222213 5.806 3.690 6.887 -0.5141 -0.1721 0.3643 2029SOL H122214 5.712 3.705 6.898 -0.4865 -0.3381 0.8532 2029SOL H222215 5.822 3.705 6.794 -0.9596 0.2064 0.3467 2030SOL OH222216 3.330 0.149 7.736 -0.3632 -0.5060 -0.1473 2030SOL H122217 3.411 0.104 7.761 -1.6119 -3.4774 -1.0444 2030SOL H222218 3.345 0.177 7.645 1.0940 2.7917 0.9675 2031SOL OH222219 0.755 5.150 1.792 -0.0953 -0.3721 -0.0903 2031SOL H122220 0.780 5.095 1.717 0.6912 -0.2380 0.0583 2031SOL H222221 0.762 5.240 1.758 -2.8314 -0.3470 -0.7787 2032SOL OH222222 4.032 1.218 8.103 -0.2684 -0.6132 -0.5473 2032SOL H122223 3.949 1.240 8.146 -0.4808 -2.1776 -0.1087 2032SOL H222224 4.005 1.178 8.020 -0.0508 -2.7088 0.3373 2033SOL OH222225 1.636 4.291 1.602 -0.0857 -0.0331 0.0249 2033SOL H122226 1.544 4.265 1.606 0.1046 -0.8912 -0.9434 2033SOL H222227 1.633 4.382 1.572 -0.6112 -0.1206 -0.2048 2034SOL OH222228 5.389 1.179 1.280 0.5965 0.0377 -0.0053 2034SOL H122229 5.453 1.220 1.222 -0.5638 1.1321 -0.5507 2034SOL H222230 5.386 1.236 1.357 0.2930 -0.0371 0.0380 2035SOL OH222231 3.430 4.364 1.052 -0.7553 -0.6490 0.1091 2035SOL H122232 3.464 4.324 0.973 0.8719 -2.2739 1.5478 2035SOL H222233 3.490 4.437 1.070 -1.5995 0.2331 -0.5509 2036SOL OH222234 2.698 5.689 2.439 0.0109 0.1334 0.7973 2036SOL H122235 2.667 5.684 2.529 0.7283 -1.2358 0.9852 2036SOL H222236 2.793 5.692 2.445 0.0413 1.8288 0.1266 2037SOL OH222237 4.802 1.714 1.630 -0.1599 -0.1725 0.5948 2037SOL H122238 4.791 1.680 1.541 -1.0241 -0.1409 0.6884 2037SOL H222239 4.860 1.790 1.619 -2.9264 1.9283 -0.4568 2038SOL OH222240 3.586 5.636 2.258 0.5387 -0.0222 -0.0393 2038SOL H122241 3.552 5.613 2.172 2.0451 1.0805 -0.9804 2038SOL H222242 3.558 5.565 2.315 -2.0659 0.1407 -1.0209 2039SOL OH222243 3.190 1.728 1.870 0.2757 -0.4124 -0.2023 2039SOL H122244 3.160 1.772 1.950 -1.0413 -0.4299 -0.6669 2039SOL H222245 3.234 1.649 1.902 1.5281 0.5520 0.5774 2040SOL OH222246 3.264 2.962 7.903 -0.6915 0.1022 0.3333 2040SOL H122247 3.261 2.946 7.808 0.7548 -0.5073 0.3758 2040SOL H222248 3.280 2.876 7.941 0.5630 0.6232 1.0101 2041SOL OH222249 5.259 0.170 8.258 0.1368 -0.8414 -0.4122 2041SOL H122250 5.305 0.248 8.227 -0.3360 -0.9614 -1.4597 2041SOL H222251 5.182 0.204 8.302 1.1336 -0.6420 1.2681 2042SOL OH222252 1.998 2.101 7.435 0.6377 -0.2923 -0.2759 2042SOL H122253 2.040 2.031 7.386 2.3765 0.4707 0.0456 2042SOL H222254 2.064 2.129 7.498 -0.0172 1.5663 -0.3516 2043SOL OH222255 1.772 2.004 7.043 0.4314 -0.5505 0.1326 2043SOL H122256 1.764 1.979 7.135 1.8485 -1.1525 0.1238 2043SOL H222257 1.737 1.929 6.995 1.2496 -0.9656 0.1677 2044SOL OH222258 4.721 1.888 7.588 -0.2093 -0.4657 0.0011 2044SOL H122259 4.736 1.932 7.504 1.1343 0.0342 0.4935 2044SOL H222260 4.787 1.924 7.647 -2.8708 1.3139 2.1260 2045SOL OH222261 5.427 5.369 7.227 0.5214 0.1544 -0.3881 2045SOL H122262 5.445 5.314 7.150 1.3429 1.7101 -1.3466 2045SOL H222263 5.414 5.306 7.298 -0.3215 -1.3357 -1.7891 2046SOL OH222264 0.797 5.766 1.593 0.4191 -0.2291 -0.4850 2046SOL H122265 0.767 5.835 1.535 1.2632 -0.6508 -1.4680 2046SOL H222266 0.831 5.698 1.534 0.3325 -1.1317 0.4729 2047SOL OH222267 4.761 0.240 1.871 0.3216 0.1551 -0.3572 2047SOL H122268 4.731 0.283 1.791 -0.5769 0.6264 0.2133 2047SOL H222269 4.738 0.147 1.857 0.2662 0.2164 -0.6910 2048SOL OH222270 4.568 4.715 2.198 -0.2219 0.1035 -0.5827 2048SOL H122271 4.568 4.624 2.227 0.1552 0.3168 0.1251 2048SOL H222272 4.597 4.764 2.275 -1.3184 0.9133 -0.6668 2049SOL OH222273 4.809 2.055 7.323 -0.2116 0.6167 0.0395 2049SOL H122274 4.897 2.046 7.360 -0.2456 1.0052 0.2139 2049SOL H222275 4.817 2.020 7.234 -0.0696 -0.0709 0.3204 2050SOL OH222276 4.195 3.718 1.577 0.1925 -0.0132 0.1536 2050SOL H122277 4.111 3.743 1.614 0.2561 0.7882 -0.2025 2050SOL H222278 4.250 3.796 1.588 1.1216 -0.7739 1.0511 2051SOL OH222279 3.088 0.041 2.339 0.0488 0.2488 -0.2292 2051SOL H122280 3.002 0.082 2.348 -0.5974 -0.6179 -2.0484 2051SOL H222281 3.144 0.110 2.303 -0.6804 0.0080 -1.9198 2052SOL OH222282 4.613 3.014 6.828 -0.3198 0.4488 0.5663 2052SOL H122283 4.530 2.970 6.806 -0.3911 0.6278 0.4716 2052SOL H222284 4.593 3.064 6.906 -0.0246 -0.3083 1.1434 2053SOL OH222285 4.543 0.478 7.642 -0.4420 0.2846 -0.1744 2053SOL H122286 4.627 0.441 7.668 -0.6446 1.4592 2.5927 2053SOL H222287 4.565 0.553 7.587 0.1599 -0.8834 -1.5723 2054SOL OH222288 6.017 3.986 8.269 -0.6702 -0.4672 -0.2228 2054SOL H122289 6.109 3.963 8.259 -0.4110 -0.5932 2.1205 2054SOL H222290 6.015 4.056 8.334 -2.1963 -0.1121 -0.6047 2055SOL OH222291 2.467 4.031 7.004 -0.0108 -0.6360 0.1658 2055SOL H122292 2.408 3.971 6.958 2.2449 -2.1627 -0.9248 2055SOL H222293 2.531 4.057 6.938 1.7032 -0.6587 1.7348 2056SOL OH222294 2.356 3.013 1.715 -0.4573 -0.3726 -0.3492 2056SOL H122295 2.309 3.096 1.709 1.0160 0.5053 -0.3819 2056SOL H222296 2.289 2.949 1.740 -1.4450 1.0196 0.7787 2057SOL OH222297 0.021 1.937 1.334 -0.7857 0.1674 0.0169 2057SOL H122298 -0.011 2.010 1.281 -0.5643 0.7688 0.6913 2057SOL H222299 0.095 1.901 1.284 -0.8190 0.4873 -0.2623 2058SOL OH222300 5.333 4.654 0.564 -0.1847 0.2443 0.1325 2058SOL H122301 5.335 4.563 0.535 -1.5800 0.3361 -0.3522 2058SOL 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2.5787 -1.3106 2064SOL H222320 2.539 1.933 6.792 1.2944 0.6468 1.0484 2065SOL OH222321 5.496 3.317 1.630 -0.1744 -0.6457 0.4096 2065SOL H122322 5.578 3.309 1.678 -0.1493 0.1866 0.5207 2065SOL H222323 5.442 3.246 1.664 0.3954 -1.0176 0.5477 2066SOL OH222324 0.093 1.313 6.878 -0.0122 0.1910 -0.5843 2066SOL H122325 0.034 1.240 6.895 0.9231 -0.4705 -0.0985 2066SOL H222326 0.088 1.368 6.957 0.1125 0.0650 -0.4875 2067SOL OH222327 2.718 3.032 0.408 0.3169 0.0433 -0.0861 2067SOL H122328 2.632 3.062 0.378 0.3172 0.8945 0.7477 2067SOL H222329 2.740 3.090 0.481 1.6491 -0.1005 -0.3550 2068SOL OH222330 2.610 1.822 1.523 -0.2105 -0.0554 -0.2462 2068SOL H122331 2.654 1.821 1.438 0.7465 -0.5893 0.2395 2068SOL H222332 2.653 1.892 1.572 -0.1889 -0.2944 0.0810 2069SOL OH222333 2.957 5.947 1.314 -0.4362 0.3882 -0.0936 2069SOL H122334 2.966 6.040 1.332 2.5610 0.2936 -0.5637 2069SOL H222335 2.914 5.911 1.391 -0.8947 2.0259 0.4476 2070SOL OH222336 2.410 3.775 1.438 -0.6937 0.3231 -0.2369 2070SOL H122337 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1.7519 -0.3673 2146SOL H222566 5.249 0.531 1.347 -0.7327 -0.0353 0.9453 2147SOL OH222567 1.640 3.678 7.136 -0.4663 -0.0474 0.0296 2147SOL H122568 1.544 3.677 7.135 -0.4738 -1.5985 -0.2553 2147SOL H222569 1.664 3.587 7.150 0.9957 0.0165 -1.7938 2148SOL OH222570 0.422 2.387 7.397 0.0631 -0.7854 0.5787 2148SOL H122571 0.484 2.319 7.371 0.5369 -0.6149 1.2287 2148SOL H222572 0.472 2.468 7.392 0.0002 -0.6802 1.4029 2149SOL OH222573 3.781 0.791 0.783 -0.3982 0.1867 0.4825 2149SOL H122574 3.794 0.698 0.766 0.8982 0.7714 -2.3006 2149SOL H222575 3.869 0.828 0.786 -0.8856 1.3108 1.8430 2150SOL OH222576 5.986 4.647 7.721 -0.2970 -0.4084 0.0263 2150SOL H122577 5.955 4.590 7.651 -1.3273 1.0708 -0.7732 2150SOL H222578 5.908 4.694 7.751 0.5971 1.0135 0.2483 2151SOL OH222579 5.069 4.682 6.974 0.0907 -0.1153 -0.1534 2151SOL H122580 5.008 4.756 6.973 -1.1116 -1.0691 -1.8949 2151SOL H222581 5.046 4.633 7.053 0.7668 1.1948 0.9130 2152SOL OH222582 4.084 4.217 2.029 -0.3077 0.2746 0.0487 2152SOL H122583 4.131 4.134 2.042 -0.6204 0.0309 -0.3487 2152SOL H222584 3.992 4.194 2.043 -0.5322 0.2673 -1.3172 2153SOL OH222585 4.394 3.152 6.652 -0.0700 -0.0970 -0.0455 2153SOL H122586 4.400 3.211 6.727 -1.4770 -0.6330 0.5103 2153SOL H222587 4.475 3.100 6.656 -0.0740 -0.0366 1.0274 2154SOL OH222588 1.598 4.501 2.422 -0.4731 -0.3270 0.0672 2154SOL H122589 1.504 4.517 2.437 -0.3744 0.3890 -0.0381 2154SOL H222590 1.641 4.528 2.503 -0.2902 0.0741 -0.1593 2155SOL OH222591 4.036 3.553 8.270 -0.1210 0.0936 -0.5122 2155SOL H122592 3.947 3.523 8.250 -0.0605 -0.5988 0.2106 2155SOL H222593 4.023 3.625 8.332 -0.1711 -0.0993 -0.2988 2156SOL OH222594 5.963 2.993 7.060 0.0999 0.4751 0.4815 2156SOL H122595 6.054 2.964 7.072 -0.0846 -0.7574 -0.8533 2156SOL H222596 5.968 3.088 7.059 1.6727 0.4264 -1.4533 2157SOL OH222597 3.691 5.616 7.130 -0.0092 0.0947 -0.4860 2157SOL H122598 3.769 5.562 7.120 0.6241 1.0633 -0.9606 2157SOL H222599 3.657 5.625 7.041 -0.5760 -0.1780 -0.3042 2158SOL OH222600 3.884 4.912 8.281 0.1120 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0.2838 0.1852 1.8625 2170SOL OH222636 4.753 4.504 6.782 0.1153 -0.5467 0.1634 2170SOL H122637 4.847 4.518 6.776 0.0784 -0.8274 -1.5303 2170SOL H222638 4.742 4.410 6.771 -0.5041 -0.2262 -2.6619 2171SOL OH222639 3.520 2.035 0.740 0.6242 0.3492 0.1730 2171SOL H122640 3.593 2.086 0.706 0.5270 -0.0790 -0.6959 2171SOL H222641 3.471 2.096 0.795 0.5320 1.1775 -0.8108 2172SOL OH222642 5.839 3.922 8.039 0.0088 -0.3703 0.1208 2172SOL H122643 5.906 3.943 8.103 0.4421 1.4914 -0.8713 2172SOL H222644 5.759 3.961 8.074 0.2008 0.4587 -0.3378 2173SOL OH222645 4.424 3.252 1.199 0.2784 -0.2235 0.1032 2173SOL H122646 4.379 3.307 1.263 -2.0210 -0.6364 -1.0459 2173SOL H222647 4.516 3.279 1.204 -0.1535 1.0589 2.1938 2174SOL OH222648 1.142 3.535 0.303 0.3333 -0.3328 0.1411 2174SOL H122649 1.159 3.448 0.338 0.6539 -0.3911 -0.1614 2174SOL H222650 1.225 3.562 0.262 0.3893 0.3034 0.6423 2175SOL OH222651 5.821 2.592 7.783 -0.0989 -0.2569 -0.1306 2175SOL H122652 5.863 2.572 7.700 -0.1769 -0.4677 -0.1197 2175SOL H222653 5.819 2.688 7.786 0.7183 -0.2397 0.0441 2176SOL OH222654 5.342 2.382 0.824 0.0079 -0.1693 0.0699 2176SOL H122655 5.368 2.453 0.764 1.0000 -0.8236 -0.3122 2176SOL H222656 5.323 2.308 0.766 0.6630 -0.7133 0.5300 2177SOL OH222657 3.970 1.510 7.874 0.2317 -0.3356 -0.0637 2177SOL H122658 3.903 1.530 7.940 1.0644 -0.8095 0.9489 2177SOL H222659 3.946 1.565 7.799 -0.9671 -0.0804 0.4743 2178SOL OH222660 0.155 2.268 0.291 0.0814 -0.5155 0.0425 2178SOL H122661 0.078 2.323 0.304 -0.0424 -0.1689 -1.7695 2178SOL H222662 0.121 2.184 0.260 0.4087 0.0700 -2.0792 2179SOL OH222663 5.349 1.790 7.149 -0.1447 -0.2944 0.4212 2179SOL H122664 5.422 1.736 7.117 1.5734 1.8586 0.4587 2179SOL H222665 5.305 1.821 7.070 1.3971 1.4628 0.1762 2180SOL OH222666 3.856 1.866 2.353 0.0561 -0.0280 -0.4480 2180SOL H122667 3.903 1.786 2.332 0.9457 0.4239 -0.2464 2180SOL H222668 3.767 1.851 2.322 0.2975 -0.9571 -0.7170 2181SOL OH222669 2.511 3.142 0.987 0.2228 0.1389 -0.2343 2181SOL H122670 2.484 3.220 1.036 0.5859 0.1956 -0.1236 2181SOL H222671 2.503 3.070 1.050 0.8159 0.2306 -0.0429 2182SOL OH222672 2.637 1.208 2.115 0.2642 -0.2211 0.0055 2182SOL H122673 2.662 1.300 2.120 2.0236 -0.6554 -0.2260 2182SOL H222674 2.603 1.197 2.026 0.7342 0.0513 -0.2108 2183SOL OH222675 1.064 5.585 6.572 0.0099 -0.3252 0.1070 2183SOL H122676 1.151 5.605 6.607 1.1294 -1.4249 -1.8438 2183SOL H222677 1.007 5.584 6.649 1.9012 -0.5880 1.5941 2184SOL OH222678 4.261 5.538 1.975 -0.2128 -0.0882 0.2069 2184SOL H122679 4.250 5.633 1.982 -0.7965 -0.1711 0.5649 2184SOL H222680 4.334 5.518 2.034 -0.3680 0.0907 0.4640 2185SOL OH222681 0.092 0.267 0.481 0.0536 -0.0582 0.3590 2185SOL H122682 0.183 0.239 0.486 -0.2145 -0.7411 2.1817 2185SOL H222683 0.078 0.288 0.389 1.5208 -1.7266 -0.3004 2186SOL OH222684 3.064 4.627 0.905 -0.1752 0.3655 -0.3109 2186SOL H122685 3.149 4.622 0.861 0.1348 0.1756 0.2924 2186SOL H222686 3.023 4.542 0.887 -0.6487 0.8051 -1.3932 2187SOL OH222687 2.576 3.882 7.683 -0.1828 0.4024 -0.1347 2187SOL H122688 2.616 3.796 7.687 -1.3494 -0.1772 -0.5968 2187SOL H222689 2.595 3.922 7.768 1.8329 0.3871 -0.5318 2188SOL OH222690 5.813 2.532 7.301 0.5043 0.0724 0.6704 2188SOL H122691 5.901 2.497 7.310 0.1975 -1.4033 -1.4101 2188SOL H222692 5.761 2.458 7.270 -1.2633 1.1643 0.8761 2189SOL OH222693 5.015 3.957 2.265 -0.3100 0.4598 0.4738 2189SOL H122694 5.076 4.030 2.252 -2.3072 2.0339 -0.6446 2189SOL H222695 5.000 3.922 2.178 -1.5285 0.5783 0.6175 2190SOL OH222696 1.045 2.134 7.827 -0.0982 0.1112 0.2546 2190SOL H122697 1.036 2.082 7.747 0.1684 1.0211 -0.3750 2190SOL H222698 0.973 2.198 7.822 0.2925 0.5708 0.4269 2191SOL OH222699 5.905 2.364 1.871 0.5598 -0.0448 0.0462 2191SOL H122700 5.993 2.392 1.897 0.0384 1.4299 0.3215 2191SOL H222701 5.847 2.402 1.936 -0.3801 -0.1799 -0.6807 2192SOL OH222702 5.333 5.178 1.402 -0.0677 0.0142 -0.7940 2192SOL H122703 5.303 5.129 1.479 -0.0636 2.3778 0.7853 2192SOL H222704 5.257 5.229 1.375 0.8724 1.8265 -0.1751 2193SOL OH222705 3.807 5.658 1.975 0.6392 -0.3019 0.0903 2193SOL H122706 3.846 5.711 1.906 -0.1516 0.9801 0.5824 2193SOL H222707 3.811 5.568 1.942 1.4298 0.1353 -1.0550 2194SOL OH222708 0.957 1.840 1.209 0.8044 -0.0943 0.3710 2194SOL H122709 1.040 1.872 1.245 1.4260 -0.5130 -0.6583 2194SOL H222710 0.917 1.917 1.169 1.5471 -0.2377 -0.6946 2195SOL OH222711 0.959 5.622 6.819 0.3090 0.0395 0.3583 2195SOL H122712 0.949 5.711 6.854 -0.0181 1.1844 -2.3559 2195SOL H222713 0.872 5.584 6.826 -0.1457 0.8463 -0.6005 2196SOL OH222714 2.192 4.335 1.432 0.3620 0.1924 -0.8661 2196SOL H122715 2.267 4.388 1.405 -0.0667 0.0827 -2.3897 2196SOL H222716 2.116 4.382 1.400 -0.0691 -0.8693 -1.4852 2197SOL OH222717 0.723 4.542 8.032 -0.4610 -0.2022 -0.3479 2197SOL H122718 0.719 4.503 8.119 -0.6822 1.2023 0.3071 2197SOL H222719 0.694 4.632 8.045 -1.8518 -0.3328 -2.1222 2198SOL OH222720 4.916 1.535 0.836 0.1396 0.3252 0.2019 2198SOL H122721 4.890 1.450 0.801 0.7491 0.7677 -1.4030 2198SOL H222722 4.833 1.579 0.857 -0.1764 -0.6739 1.1424 2199SOL OH222723 1.158 2.012 2.947 -0.5847 0.0740 0.0097 2199SOL H122724 1.126 1.978 3.030 -1.2748 0.1854 -0.1996 2199SOL H222725 1.109 1.962 2.881 -0.5721 0.4870 -0.3135 2200SOL OH222726 5.187 5.028 8.322 -0.0997 0.8072 -0.7286 2200SOL H122727 5.105 5.065 8.353 0.7706 0.4529 2.3487 2200SOL H222728 5.161 4.955 8.266 -1.8672 1.0422 -0.2619 2201SOL OH222729 2.704 5.434 8.230 -0.5099 -0.3813 -0.7157 2201SOL H122730 2.618 5.476 8.230 -0.7110 -0.5928 1.9691 2201SOL H222731 2.690 5.348 8.191 -1.8826 -0.9448 0.9089 2202SOL OH222732 2.576 1.233 7.616 0.0481 -0.2060 0.8997 2202SOL H122733 2.557 1.197 7.529 -0.8751 2.4691 -0.1028 2202SOL H222734 2.671 1.221 7.626 0.0676 -1.1370 -0.1844 2203SOL OH222735 1.398 1.360 7.725 0.1204 0.0026 0.1284 2203SOL H122736 1.423 1.268 7.720 1.3814 0.3647 -0.4641 2203SOL H222737 1.456 1.398 7.791 1.3925 0.9066 -1.4529 2204SOL OH222738 5.402 1.984 1.588 -0.0469 -0.1460 0.3304 2204SOL H122739 5.485 2.030 1.593 0.2318 -0.6957 0.8448 2204SOL H222740 5.395 1.936 1.671 0.2312 -1.9683 -0.6337 2205SOL OH222741 2.446 4.090 8.130 -0.3227 0.1310 0.2873 2205SOL H122742 2.520 4.131 8.175 -0.0234 -0.0684 -0.0173 2205SOL H222743 2.385 4.162 8.115 -0.3819 0.2220 0.9124 2206SOL OH222744 2.911 1.580 0.360 -0.4668 0.2330 0.1398 2206SOL H122745 2.914 1.500 0.307 2.2889 0.4485 -0.2087 2206SOL H222746 2.820 1.608 0.357 -1.5637 -2.8551 0.2498 2207SOL OH222747 0.039 5.752 7.379 0.4792 0.0311 0.6255 2207SOL H122748 0.064 5.827 7.433 0.2233 0.2006 0.5140 2207SOL H222749 -0.053 5.737 7.401 1.0501 -1.5338 2.1467 2208SOL OH222750 1.964 3.019 0.331 0.0622 -0.0168 -0.4262 2208SOL H122751 1.986 3.051 0.419 -2.9258 0.5800 0.2077 2208SOL H222752 1.957 3.099 0.278 -1.7356 -0.0399 -0.2666 2209SOL OH222753 2.916 3.786 1.192 0.2661 -0.3307 -0.2292 2209SOL H122754 3.004 3.758 1.219 0.7062 0.9600 -0.2704 2209SOL H222755 2.868 3.795 1.275 0.2612 -0.7120 -0.1865 2210SOL OH222756 2.450 1.188 6.642 0.5328 -0.3050 0.2848 2210SOL H122757 2.406 1.270 6.666 0.6568 0.4654 -1.8410 2210SOL H222758 2.380 1.131 6.613 0.5838 -0.4257 0.3991 2211SOL OH222759 4.579 1.196 0.159 -0.3992 -0.2728 0.1670 2211SOL H122760 4.641 1.263 0.133 0.6366 -0.9156 0.9069 2211SOL H222761 4.495 1.242 0.168 -0.1031 0.5558 -1.0818 2212SOL OH222762 0.487 2.653 0.998 -0.0805 0.1269 -0.2603 2212SOL H122763 0.525 2.572 0.963 -1.5181 -0.7029 -0.0178 2212SOL H222764 0.418 2.675 0.935 -0.8667 0.1527 0.5875 2213SOL OH222765 1.005 2.329 7.033 -0.2336 0.1485 0.3281 2213SOL H122766 1.078 2.322 6.973 1.1620 -1.2038 2.0784 2213SOL H222767 0.957 2.407 7.004 1.6559 0.8429 -1.0901 2214SOL OH222768 1.228 0.579 2.107 0.1454 0.3323 0.4472 2214SOL H122769 1.171 0.520 2.155 -0.4068 1.6318 1.4339 2214SOL H222770 1.315 0.562 2.143 -0.2316 1.1590 1.8193 2215SOL OH222771 2.040 0.377 1.440 -0.7785 0.2934 -0.3483 2215SOL H122772 1.973 0.431 1.397 -0.4806 -0.1096 -1.3531 2215SOL H222773 2.100 0.440 1.479 -0.9046 0.6857 -0.7728 2216SOL OH222774 5.951 0.680 8.255 -0.4775 0.2686 -0.3314 2216SOL H122775 6.025 0.740 8.262 -0.2442 0.1085 -1.2671 2216SOL H222776 5.874 0.737 8.248 -0.4082 0.4370 0.2414 2217SOL OH222777 2.960 0.799 1.114 -0.0838 -0.0147 -0.3289 2217SOL H122778 2.917 0.714 1.119 0.6764 -0.3730 0.5713 2217SOL H222779 2.897 0.860 1.151 0.1603 -0.5444 1.0512 2218SOL OH222780 4.672 1.569 2.231 -0.5318 -0.0626 -0.1285 2218SOL H122781 4.614 1.581 2.307 -1.9802 0.5302 -1.2655 2218SOL H222782 4.644 1.486 2.193 0.3036 -0.4416 0.0788 2219SOL OH222783 3.120 1.299 1.930 0.3672 -0.0876 0.4977 2219SOL H122784 3.117 1.308 2.026 -0.3151 -1.6522 0.6576 2219SOL H222785 3.030 1.314 1.902 0.7405 1.2619 -0.0121 2220SOL OH222786 0.127 4.822 6.637 0.4000 0.0730 -0.0745 2220SOL H122787 0.155 4.914 6.644 0.5278 -0.0101 0.6172 2220SOL H222788 0.090 4.802 6.723 0.9340 -0.7055 -0.0153 2221SOL OH222789 1.536 1.315 0.910 0.3660 -0.2903 -0.2063 2221SOL H122790 1.580 1.245 0.863 0.0575 -1.5110 1.2597 2221SOL H222791 1.608 1.370 0.942 0.7684 -1.2640 0.6262 2222SOL OH222792 1.534 0.283 7.820 0.0714 -0.6731 -0.0048 2222SOL H122793 1.543 0.329 7.737 1.4589 -0.2373 0.3641 2222SOL H222794 1.477 0.209 7.800 -0.5768 0.0683 -1.0597 2223SOL OH222795 5.111 4.199 0.798 -0.0967 -0.2471 0.6818 2223SOL H122796 5.160 4.183 0.717 -0.6158 0.3978 0.2216 2223SOL H222797 5.167 4.255 0.851 0.0231 -0.2199 0.5261 2224SOL OH222798 5.964 0.511 1.372 0.4696 0.0255 0.2066 2224SOL H122799 6.054 0.536 1.393 1.3843 -0.7353 -2.4557 2224SOL H222800 5.922 0.594 1.348 1.7553 -0.0592 -2.6925 2225SOL OH222801 4.958 4.784 7.714 -0.7194 -0.4636 -0.5445 2225SOL H122802 5.001 4.725 7.653 -0.6246 1.0897 -2.0518 2225SOL H222803 5.013 4.782 7.792 0.9570 -0.1099 -1.6689 2226SOL OH222804 5.883 4.142 2.033 0.2293 0.0980 0.3035 2226SOL H122805 5.935 4.197 1.974 0.7756 -0.3673 0.3365 2226SOL H222806 5.942 4.070 2.056 0.3432 0.7155 2.1053 2227SOL OH222807 5.729 2.741 0.978 0.2129 0.0231 0.3258 2227SOL H122808 5.676 2.662 0.990 -0.9675 0.7021 -0.1932 2227SOL H222809 5.819 2.713 0.997 -0.0519 -1.6491 -0.6346 2228SOL OH222810 0.485 1.211 0.160 0.0123 0.1203 0.0387 2228SOL H122811 0.577 1.198 0.139 -0.0328 0.8389 -0.6689 2228SOL H222812 0.472 1.305 0.155 -0.9906 -0.0384 -0.9678 2229SOL OH222813 1.311 3.917 -0.012 0.0733 -0.4113 -0.2082 2229SOL H122814 1.237 3.884 -0.063 -0.3050 -0.3690 0.3026 2229SOL H222815 1.287 3.899 0.079 -0.4743 1.8723 0.1561 2230SOL OH222816 5.998 4.351 0.444 0.2416 0.5363 -0.6647 2230SOL H122817 5.988 4.381 0.353 0.7061 0.4599 -0.7405 2230SOL H222818 6.023 4.259 0.436 -0.0244 0.4439 -0.4501 2231SOL OH222819 2.910 5.050 0.647 -0.0630 -0.4965 0.5147 2231SOL H122820 2.883 5.141 0.662 1.2105 -0.3816 2.6535 2231SOL H222821 2.861 5.022 0.571 0.1644 2.2817 -0.7715 2232SOL OH222822 1.074 0.916 8.045 0.2002 0.0905 -0.1958 2232SOL H122823 1.149 0.920 7.986 0.2196 -2.3250 -0.4444 2232SOL H222824 1.110 0.885 8.128 -0.1334 1.5924 0.5423 2233SOL OH222825 4.720 5.522 2.087 -0.3042 0.4309 0.4098 2233SOL H122826 4.755 5.601 2.129 -0.5440 1.4223 -1.1785 2233SOL H222827 4.785 5.501 2.020 -0.6039 -0.3075 0.3497 2234SOL OH222828 1.678 0.976 1.464 0.1771 0.1389 0.3744 2234SOL H122829 1.662 0.890 1.502 -0.9967 -0.3480 -1.1466 2234SOL H222830 1.660 1.037 1.536 1.6818 -0.8621 1.6821 2235SOL OH222831 2.552 2.356 6.537 0.3183 0.0441 0.1512 2235SOL H122832 2.478 2.327 6.591 -0.1536 -1.2726 -1.1456 2235SOL H222833 2.558 2.291 6.467 3.7018 -0.8425 1.0677 2236SOL OH222834 3.932 0.013 6.736 -0.4428 -0.0008 0.5813 2236SOL H122835 3.875 0.089 6.722 -0.6860 -0.3206 -0.2103 2236SOL H222836 3.991 0.040 6.807 -0.2354 1.0836 0.0124 2237SOL OH222837 1.637 5.416 1.991 0.3976 0.3558 -0.2584 2237SOL H122838 1.575 5.426 1.920 -0.5277 0.1248 0.4973 2237SOL H222839 1.691 5.495 1.988 0.3811 0.3422 -1.2104 2238SOL OH222840 3.502 4.580 6.784 -0.2889 -0.2521 0.1533 2238SOL H122841 3.461 4.579 6.698 -0.1300 2.7342 -0.0501 2238SOL H222842 3.594 4.556 6.767 -0.0091 1.3154 -0.7202 2239SOL OH222843 4.591 0.684 7.474 -0.0401 -0.0557 0.0584 2239SOL H122844 4.612 0.761 7.421 -1.2418 -0.7851 -1.5895 2239SOL H222845 4.502 0.660 7.447 -0.8120 -0.3811 2.5911 2240SOL OH222846 6.056 3.581 0.728 0.3717 0.6309 -0.1751 2240SOL H122847 5.972 3.535 0.734 0.9555 -0.6336 -1.1413 2240SOL H222848 6.046 3.639 0.652 0.6807 -0.2414 -0.8994 2241SOL OH222849 5.110 5.322 1.368 -0.0961 -0.0286 0.4371 2241SOL H122850 5.111 5.359 1.280 -0.8505 0.6478 0.6991 2241SOL H222851 5.105 5.399 1.426 -2.8123 -0.5216 0.9791 2242SOL OH222852 0.120 4.060 6.995 0.1093 -0.1392 0.0206 2242SOL H122853 0.106 4.018 6.910 1.2220 0.4348 -0.4685 2242SOL H222854 0.128 3.987 7.057 2.2774 -0.7229 -0.8495 2243SOL OH222855 1.017 2.047 6.984 -0.0373 -0.0456 0.0868 2243SOL H122856 1.054 2.085 6.904 -0.2768 -0.0444 -0.0268 2243SOL H222857 0.950 2.110 7.011 0.8043 0.4987 0.9119 2244SOL OH222858 2.963 1.118 1.358 -0.0589 0.1945 0.0097 2244SOL H122859 3.008 1.146 1.279 -0.3783 0.4732 -0.0789 2244SOL H222860 3.029 1.126 1.427 0.9710 -2.3554 -0.5754 2245SOL OH222861 0.755 1.266 2.106 -0.2581 -0.3717 0.3037 2245SOL H122862 0.798 1.311 2.033 0.0446 -1.8284 -0.4483 2245SOL H222863 0.827 1.224 2.154 -0.5933 -0.6509 0.5651 2246SOL OH222864 0.461 0.989 7.268 0.1137 -0.2987 -0.1026 2246SOL H122865 0.402 0.962 7.338 -0.9378 -1.0995 -1.2604 2246SOL H222866 0.416 1.061 7.225 -1.0314 -2.1279 -2.1918 2247SOL OH222867 5.761 3.458 1.608 -0.2492 -0.0165 -0.1853 2247SOL H122868 5.767 3.544 1.650 0.8501 -0.2824 0.2311 2247SOL H222869 5.768 3.395 1.680 0.1711 -0.4644 -0.6059 2248SOL OH222870 3.270 0.469 7.115 0.1704 0.0159 0.7985 2248SOL H122871 3.190 0.487 7.066 0.2574 0.3024 0.7611 2248SOL H222872 3.297 0.554 7.150 -0.3584 -0.3154 2.0613 2249SOL OH222873 3.029 3.825 0.489 0.5141 -0.2242 -0.1281 2249SOL H122874 3.104 3.878 0.516 -0.0416 1.8628 -2.3260 2249SOL H222875 2.973 3.821 0.567 2.0113 -0.2400 0.9888 2250SOL OH222876 1.739 3.459 2.289 -0.1421 -0.3889 -0.1340 2250SOL H122877 1.662 3.403 2.276 -1.0683 0.2264 2.1275 2250SOL H222878 1.806 3.400 2.323 -0.0497 -0.6831 -0.8130 2251SOL OH222879 2.659 0.252 0.536 -0.2523 0.3187 0.4318 2251SOL H122880 2.618 0.266 0.450 -0.7928 -0.1056 0.6131 2251SOL H222881 2.751 0.273 0.522 -0.2707 -0.0772 -0.3465 2252SOL OH222882 5.532 4.207 7.883 0.0779 -0.3499 0.1129 2252SOL H122883 5.626 4.225 7.878 0.1481 -0.5676 0.5181 2252SOL H222884 5.502 4.262 7.955 0.0869 -0.9921 0.6284 2253SOL OH222885 5.480 2.937 7.373 -0.3403 -0.0705 0.4446 2253SOL H122886 5.409 2.875 7.358 -0.3125 -0.1255 0.5362 2253SOL H222887 5.556 2.897 7.331 -0.6201 0.5554 -0.7114 2254SOL OH222888 2.669 5.357 1.134 -0.5836 -0.1719 0.3143 2254SOL H122889 2.592 5.358 1.078 -0.7776 -0.3136 0.5786 2254SOL H222890 2.705 5.446 1.128 -0.4073 -0.2813 -0.3039 2255SOL OH222891 1.576 4.092 0.877 -0.1199 -0.1054 0.0831 2255SOL H122892 1.501 4.142 0.908 0.3460 -0.9203 2.7839 2255SOL H222893 1.652 4.149 0.892 -0.0141 0.1987 -1.4002 2256SOL OH222894 4.930 0.256 1.442 -0.1763 0.1685 0.1036 2256SOL H122895 4.905 0.180 1.494 1.8627 -0.8242 -0.2803 2256SOL H222896 5.003 0.295 1.490 1.2944 -0.3649 -1.6208 2257SOL OH222897 5.639 2.196 6.396 -0.6988 -0.5117 0.4712 2257SOL H122898 5.549 2.219 6.421 -1.6540 -0.4741 -2.5488 2257SOL H222899 5.628 2.119 6.339 1.2841 -0.9410 0.6220 2258SOL OH222900 3.038 2.610 7.422 -0.2296 -0.0446 -0.5281 2258SOL H122901 3.044 2.702 7.446 1.1066 -0.5877 1.4797 2258SOL H222902 3.118 2.593 7.372 -0.7088 -0.0290 -1.3214 2259SOL OH222903 2.811 2.521 2.199 0.0437 0.6129 0.3527 2259SOL H122904 2.758 2.508 2.277 1.7963 0.8245 1.6615 2259SOL H222905 2.899 2.493 2.226 0.7150 0.7926 -1.5226 2260SOL OH222906 1.284 2.503 1.366 -0.2097 0.2402 -0.1979 2260SOL H122907 1.304 2.517 1.273 0.7800 2.1569 0.2440 2260SOL H222908 1.243 2.585 1.394 -3.6045 -1.4720 0.3497 2261SOL OH222909 4.347 4.681 1.269 0.2279 -0.3314 0.4629 2261SOL H122910 4.336 4.699 1.176 0.8749 -0.8739 0.2796 2261SOL H222911 4.442 4.681 1.283 0.1968 2.9788 1.7591 2262SOL OH222912 0.252 3.703 2.207 0.6550 0.1893 -0.5222 2262SOL H122913 0.275 3.777 2.263 -0.7784 0.3207 -0.0601 2262SOL H222914 0.218 3.637 2.266 -2.7257 1.0556 -1.2920 2263SOL OH222915 4.859 4.123 0.301 -0.4595 -0.3784 0.1769 2263SOL H122916 4.824 4.180 0.369 0.1514 0.1477 0.0550 2263SOL H222917 4.934 4.080 0.341 0.6376 0.8373 -0.5265 2264SOL OH222918 3.648 4.922 6.503 0.1424 0.1053 -0.0316 2264SOL H122919 3.568 4.895 6.458 1.8231 -0.8197 -2.6194 2264SOL H222920 3.656 5.016 6.484 -0.4922 0.2859 0.5534 2265SOL OH222921 3.383 5.616 0.743 0.8216 -0.2968 0.0717 2265SOL H122922 3.429 5.532 0.747 0.3534 -0.5375 0.5196 2265SOL H222923 3.313 5.608 0.808 -1.5328 -0.9829 -2.3278 2266SOL OH222924 4.812 1.523 7.266 0.2395 -0.0071 0.1176 2266SOL H122925 4.848 1.558 7.185 -2.3956 -1.2234 -1.7238 2266SOL H222926 4.879 1.461 7.297 1.7638 1.2744 -0.4681 2267SOL OH222927 3.037 5.709 0.826 -0.1652 0.3109 0.5164 2267SOL H122928 3.018 5.750 0.910 0.2277 -1.1989 1.3799 2267SOL H222929 3.056 5.782 0.767 -1.1646 1.4279 1.5399 2268SOL OH222930 0.978 5.575 1.243 -0.0695 0.1951 -0.2454 2268SOL H122931 0.953 5.484 1.227 1.9204 -1.0596 2.9572 2268SOL H222932 1.060 5.586 1.195 -0.2827 0.3215 -0.5887 2269SOL OH222933 3.820 5.780 7.702 -0.2927 0.3302 0.1475 2269SOL H122934 3.806 5.718 7.774 -1.1097 0.5901 0.2212 2269SOL H222935 3.793 5.732 7.624 1.4332 -0.2697 -0.1315 2270SOL OH222936 2.107 4.308 0.035 0.0771 0.2788 -0.5085 2270SOL H122937 2.033 4.362 0.006 1.4315 1.1642 -2.4623 2270SOL H222938 2.097 4.226 -0.013 -0.6887 -0.3882 0.7275 2271SOL OH222939 3.170 5.559 7.710 -0.2464 -0.5709 -0.7921 2271SOL H122940 3.244 5.535 7.767 -0.7214 -2.4631 -0.8910 2271SOL H222941 3.196 5.642 7.670 0.3558 0.5404 1.7039 2272SOL OH222942 4.418 4.896 7.174 0.4263 0.0285 0.3964 2272SOL H122943 4.510 4.871 7.178 0.2719 -0.3701 1.9002 2272SOL H222944 4.414 4.964 7.106 1.4164 -1.6003 -1.3667 2273SOL OH222945 3.708 3.531 0.491 -0.3845 -0.0114 0.3384 2273SOL H122946 3.658 3.603 0.530 1.1071 -0.2598 2.9783 2273SOL H222947 3.799 3.561 0.495 0.1286 -1.4679 0.2058 2274SOL OH222948 5.940 0.887 1.349 -0.3632 -0.8453 0.0640 2274SOL H122949 5.915 0.890 1.442 -0.1768 -1.5734 0.1441 2274SOL H222950 5.882 0.950 1.307 1.6182 1.8519 1.1164 2275SOL OH222951 2.194 4.284 0.589 0.6517 0.1644 0.5741 2275SOL H122952 2.179 4.295 0.494 -2.5690 1.4504 1.0783 2275SOL H222953 2.246 4.360 0.613 0.5534 0.4243 -0.0007 2276SOL OH222954 0.182 4.117 0.206 -0.1197 0.0725 -0.3951 2276SOL H122955 0.140 4.102 0.291 -0.4380 -2.9228 -0.9562 2276SOL H222956 0.274 4.094 0.220 -0.0191 0.2800 -0.7080 2277SOL OH222957 4.909 2.001 8.091 -0.1530 0.0125 0.4739 2277SOL H122958 5.003 2.010 8.107 -0.1101 1.2955 -0.3615 2277SOL H222959 4.890 1.910 8.113 1.8437 -1.1032 -1.9134 2278SOL OH222960 2.914 3.182 6.420 0.0939 -0.1513 -0.2100 2278SOL H122961 2.881 3.143 6.501 -2.2510 -0.7269 -1.3673 2278SOL H222962 2.953 3.109 6.372 0.7644 0.0420 0.0234 2279SOL OH222963 3.016 5.633 1.360 0.0786 0.2938 -0.1744 2279SOL H122964 2.954 5.618 1.288 -0.3719 -0.6323 0.3775 2279SOL H222965 2.986 5.574 1.429 0.3694 1.3284 0.8636 2280SOL OH222966 0.007 1.026 0.108 -0.7580 -0.0136 0.0397 2280SOL H122967 0.069 0.989 0.171 -0.4329 -0.6753 -0.6544 2280SOL H222968 0.051 1.104 0.073 -0.0553 -0.7920 -0.8650 2281SOL OH222969 1.687 1.128 8.183 0.5202 -0.0429 0.1660 2281SOL H122970 1.688 1.205 8.240 1.0455 1.4018 -1.6972 2281SOL H222971 1.612 1.143 8.125 1.4358 -0.2443 -1.0952 2282SOL OH222972 1.638 4.631 7.445 0.1921 -0.0193 0.1738 2282SOL H122973 1.561 4.606 7.394 0.1786 0.3341 0.0195 2282SOL H222974 1.695 4.555 7.441 0.5818 0.3296 -1.1261 2283SOL OH222975 4.963 4.717 1.905 -0.1431 -0.1528 0.0641 2283SOL H122976 4.965 4.697 1.999 0.4321 -0.9993 -0.1175 2283SOL H222977 4.948 4.633 1.863 0.4439 0.0866 -0.6447 2284SOL OH222978 3.199 4.853 6.759 0.5120 -0.6578 -0.2933 2284SOL H122979 3.133 4.899 6.810 1.3150 0.2651 -0.0525 2284SOL H222980 3.156 4.833 6.676 0.7385 2.4309 -1.2734 2285SOL OH222981 5.792 0.841 7.069 0.4023 -0.0129 -0.2227 2285SOL H122982 5.786 0.904 6.997 2.6403 -0.9179 -1.2885 2285SOL H222983 5.774 0.756 7.028 -2.7391 -0.1800 1.2158 2286SOL OH222984 5.140 2.823 0.942 -0.3120 -0.2894 0.0695 2286SOL H122985 5.148 2.736 0.982 1.2428 0.3585 1.2864 2286SOL H222986 5.230 2.852 0.931 -0.7622 0.4159 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0.202 0.613 -0.4382 1.0288 1.4844 2345SOL H223163 2.282 0.121 0.724 -0.2206 -2.3183 -0.9474 2346SOL OH223164 3.178 0.267 7.954 0.4292 0.3057 0.1794 2346SOL H123165 3.092 0.229 7.936 0.8970 0.0994 -1.8866 2346SOL H223166 3.236 0.225 7.890 1.5688 2.2215 -0.1021 2347SOL OH223167 0.568 5.768 1.741 0.0833 -0.0911 0.0668 2347SOL H123168 0.652 5.723 1.731 -0.9993 -1.9184 -1.4310 2347SOL H223169 0.556 5.816 1.659 -0.3006 0.2480 0.3159 2348SOL OH223170 0.897 4.014 8.103 -0.6220 -0.5425 0.7388 2348SOL H123171 0.928 4.067 8.176 -0.9551 0.5715 0.1094 2348SOL H223172 0.969 4.015 8.040 -0.4686 -1.2046 0.8999 2349SOL OH223173 5.181 4.983 1.608 0.3475 -0.1397 0.2032 2349SOL H123174 5.121 5.001 1.681 -0.9910 -0.3953 -0.7966 2349SOL H223175 5.124 4.967 1.533 1.6786 1.3811 -1.2274 2350SOL OH223176 2.283 3.351 0.271 -0.0639 0.0895 0.3670 2350SOL H123177 2.268 3.428 0.216 2.2638 0.8852 0.7392 2350SOL H223178 2.267 3.277 0.213 0.4392 0.8899 -0.8417 2351SOL OH223179 1.366 1.104 1.450 -0.3993 0.3584 -0.1418 2351SOL H123180 1.338 1.012 1.446 -2.1535 0.8230 0.7224 2351SOL H223181 1.424 1.108 1.526 0.7761 -0.2631 -0.9582 2352SOL OH223182 1.527 1.872 7.885 -0.2487 0.1247 0.5709 2352SOL H123183 1.530 1.966 7.866 0.7903 -0.3085 -1.7373 2352SOL H223184 1.604 1.856 7.939 1.2974 0.2113 -1.4567 2353SOL OH223185 0.355 4.795 6.401 0.3859 -0.1810 0.6288 2353SOL H123186 0.386 4.886 6.398 -0.9008 0.2885 -1.9526 2353SOL H223187 0.285 4.795 6.466 -0.0259 0.8793 0.2132 2354SOL OH223188 5.410 5.137 7.912 0.0536 -0.0093 0.1417 2354SOL H123189 5.425 5.161 8.003 0.2293 0.2241 0.0497 2354SOL H223190 5.315 5.146 7.900 0.3455 3.4526 -0.6735 2355SOL OH223191 0.986 4.668 2.169 -1.0015 -0.0107 0.1815 2355SOL H123192 0.986 4.637 2.259 -0.8930 -1.6326 -0.3540 2355SOL H223193 1.027 4.755 2.174 0.2887 -0.6466 1.5027 2356SOL OH223194 1.345 3.038 0.881 -0.0974 0.4845 -0.8806 2356SOL H123195 1.427 3.081 0.903 0.1760 -0.4201 -0.0429 2356SOL H223196 1.364 2.944 0.888 -1.7823 0.2384 1.7470 2357SOL OH223197 4.368 1.742 2.235 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OH223215 4.163 3.127 7.442 0.1748 -0.2292 -0.2350 2363SOL H123216 4.223 3.201 7.438 -0.3352 0.2117 0.2146 2363SOL H223217 4.196 3.066 7.375 0.9505 0.1273 -0.1885 2364SOL OH223218 0.275 4.981 7.174 0.4238 0.0361 -0.1468 2364SOL H123219 0.227 5.051 7.219 -1.1433 -1.0223 -0.0840 2364SOL H223220 0.341 4.953 7.236 -0.0713 0.2908 0.5036 2365SOL OH223221 2.673 3.254 0.136 -0.4081 0.1903 -0.2541 2365SOL H123222 2.665 3.189 0.066 -1.0142 -0.1717 0.1356 2365SOL H223223 2.604 3.230 0.198 0.8771 -0.2158 1.0609 2366SOL OH223224 0.061 2.687 1.462 -0.3925 0.1400 0.0166 2366SOL H123225 0.131 2.684 1.397 0.8107 -1.4836 1.3274 2366SOL H223226 0.041 2.780 1.471 1.1873 0.5923 -0.8187 2367SOL OH223227 1.253 1.045 2.283 -0.4057 -0.0438 0.0524 2367SOL H123228 1.339 1.008 2.263 -0.1796 0.6625 -0.3006 2367SOL H223229 1.191 0.973 2.268 0.2982 -1.2153 2.3150 2368SOL OH223230 5.037 2.845 7.723 0.1127 -0.4966 -0.0772 2368SOL H123231 4.992 2.762 7.737 -3.4872 1.0406 -1.2568 2368SOL H223232 5.039 2.856 7.628 0.8073 0.6486 0.0391 2369SOL OH223233 2.767 2.709 7.513 -0.1959 -0.0612 0.4511 2369SOL H123234 2.677 2.694 7.544 -0.4241 -0.6002 -0.4276 2369SOL H223235 2.820 2.707 7.592 -1.0806 1.4072 1.1414 2370SOL OH223236 2.945 5.111 7.707 0.0037 0.1310 0.3466 2370SOL H123237 3.032 5.072 7.693 -0.3149 -0.9829 1.2815 2370SOL H223238 2.910 5.063 7.782 -0.9345 1.4005 0.7419 2371SOL OH223239 5.709 4.236 8.319 -0.0758 -0.0311 0.0163 2371SOL H123240 5.743 4.151 8.290 1.2076 -0.0394 1.4301 2371SOL H223241 5.749 4.299 8.260 0.3577 -0.2655 0.0571 2372SOL OH223242 0.324 3.651 1.496 -0.3955 0.3916 -0.4586 2372SOL H123243 0.271 3.627 1.420 -1.3122 1.2743 -0.1132 2372SOL H223244 0.364 3.569 1.525 -3.1240 -0.7066 0.4683 2373SOL OH223245 3.407 0.889 1.246 0.2028 -0.3385 0.0881 2373SOL H123246 3.450 0.974 1.239 0.1246 -0.2289 0.8928 2373SOL H223247 3.343 0.890 1.175 0.6594 0.0032 -0.3282 2374SOL OH223248 4.359 3.778 7.415 -0.0904 -0.7603 0.1088 2374SOL H123249 4.353 3.777 7.510 0.5490 -0.9997 0.1532 2374SOL H223250 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1.3501 2380SOL H223268 4.389 5.126 6.703 0.4068 -1.2779 -0.5642 2381SOL OH223269 2.129 4.058 7.374 0.1357 -0.3386 0.3239 2381SOL H123270 2.080 3.977 7.389 -3.0683 0.8981 -2.2054 2381SOL H223271 2.104 4.115 7.446 0.7202 -0.8586 0.9530 2382SOL OH223272 5.100 3.706 2.653 0.2624 0.0483 0.0138 2382SOL H123273 5.153 3.629 2.671 -1.3952 -0.8180 1.4838 2382SOL H223274 5.063 3.730 2.737 0.3393 2.1924 -0.4989 2383SOL OH223275 5.128 1.392 7.956 -0.0961 0.0823 0.4106 2383SOL H123276 5.076 1.470 7.934 -1.8588 -1.2096 -0.2860 2383SOL H223277 5.217 1.424 7.967 -0.3466 1.8804 -2.0431 2384SOL OH223278 4.488 3.786 2.164 -0.3209 -0.3554 -0.1999 2384SOL H123279 4.537 3.741 2.095 0.9579 0.7184 -0.0181 2384SOL H223280 4.454 3.715 2.218 1.5465 -1.1532 0.0186 2385SOL OH223281 2.004 1.353 7.315 0.0465 0.3567 0.1604 2385SOL H123282 2.060 1.363 7.237 -0.4942 -0.3527 -0.3313 2385SOL H223283 2.055 1.297 7.374 -1.1030 -2.5003 -1.3363 2386SOL OH223284 5.102 4.000 1.673 -0.6831 -0.3487 0.4593 2386SOL H123285 5.178 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-0.0255 0.1949 2392SOL H123303 0.342 0.992 0.335 -1.0371 1.0314 1.2320 2392SOL H223304 0.367 1.079 0.214 1.1706 -1.8003 -0.4963 2393SOL OH223305 5.333 0.541 1.629 -0.0651 0.8528 0.2923 2393SOL H123306 5.330 0.507 1.540 1.4558 0.6048 0.3064 2393SOL H223307 5.426 0.559 1.645 -0.1486 -0.0709 2.1747 2394SOL OH223308 2.681 5.921 7.097 -0.0515 0.7584 0.3877 2394SOL H123309 2.668 5.969 7.179 1.3470 0.5335 0.7733 2394SOL H223310 2.627 5.843 7.105 -0.0537 0.8243 1.0333 2395SOL OH223311 1.317 4.686 2.000 0.1231 -0.0642 0.6581 2395SOL H123312 1.262 4.608 1.996 0.1543 -0.0388 -0.7758 2395SOL H223313 1.407 4.653 2.009 -0.0592 -0.1115 2.6513 2396SOL OH223314 0.400 5.604 1.131 0.0022 -0.7514 -0.1921 2396SOL H123315 0.405 5.519 1.175 2.4654 0.1095 1.3830 2396SOL H223316 0.316 5.640 1.159 -0.9434 -2.4868 -0.6427 2397SOL OH223317 0.517 4.128 1.509 0.0225 -0.5504 -0.0589 2397SOL H123318 0.593 4.131 1.451 0.8291 -2.7333 0.7454 2397SOL H223319 0.503 4.219 1.535 1.5332 0.0768 -1.2589 2398SOL OH223320 5.326 0.572 0.169 0.6019 0.1764 -0.3896 2398SOL H123321 5.250 0.573 0.226 0.6333 -0.8569 -0.3065 2398SOL H223322 5.375 0.494 0.195 1.7638 0.8884 -0.3512 2399SOL OH223323 4.729 0.884 1.926 0.2027 0.2816 -0.0719 2399SOL H123324 4.820 0.857 1.935 0.6424 1.6498 -0.2029 2399SOL H223325 4.726 0.929 1.841 -0.4177 0.8920 0.2640 2400SOL OH223326 2.478 0.949 2.129 0.3338 -0.2271 0.4877 2400SOL H123327 2.530 1.011 2.077 1.1811 -2.0767 -1.0238 2400SOL H223328 2.524 0.943 2.213 1.0362 0.1517 0.1375 2401SOL OH223329 1.357 0.806 1.427 -0.1148 -0.2484 -0.2228 2401SOL H123330 1.335 0.737 1.489 -0.0570 0.7675 0.9666 2401SOL H223331 1.425 0.768 1.372 -0.9007 -1.5282 -0.3617 2402SOL OH223332 0.574 5.303 7.612 0.7000 -0.5488 0.0946 2402SOL H123333 0.657 5.275 7.573 0.5847 -1.1817 0.3059 2402SOL H223334 0.596 5.328 7.701 1.0351 1.2621 -0.4382 2403SOL OH223335 3.420 0.482 2.160 -0.7415 0.3529 -0.6297 2403SOL H123336 3.342 0.501 2.213 0.8967 0.4878 1.9077 2403SOL H223337 3.387 0.479 2.070 -3.1544 3.5136 -0.0480 2404SOL OH223338 5.802 5.286 8.239 0.2616 0.4457 -0.6863 2404SOL H123339 5.858 5.346 8.190 -0.2580 0.2416 -1.5575 2404SOL H223340 5.714 5.322 8.230 -0.0317 -0.3422 -1.0739 2405SOL OH223341 2.458 1.174 7.323 -0.0682 -0.2565 0.4839 2405SOL H123342 2.372 1.153 7.359 0.4380 -1.2808 1.1520 2405SOL H223343 2.480 1.097 7.270 -0.0749 0.5185 -0.6847 2406SOL OH223344 5.841 3.690 2.066 0.1198 0.1769 0.6587 2406SOL H123345 5.912 3.630 2.042 -0.2694 -0.1983 0.4198 2406SOL H223346 5.795 3.644 2.136 -0.7756 -0.2705 -0.1901 2407SOL OH223347 3.008 4.247 1.674 0.0693 0.6559 0.2234 2407SOL H123348 2.973 4.315 1.617 -0.7595 0.7438 0.8327 2407SOL H223349 2.945 4.175 1.668 -0.3225 0.8747 1.4488 2408SOL OH223350 1.616 4.540 1.517 0.0148 0.1505 -0.1948 2408SOL H123351 1.578 4.615 1.561 0.2963 1.4086 -2.0049 2408SOL H223352 1.708 4.564 1.503 0.5748 -1.2768 0.7545 2409SOL OH223353 4.599 2.513 8.285 0.0205 0.4445 0.3057 2409SOL H123354 4.542 2.444 8.319 0.3623 -0.4653 -0.8982 2409SOL H223355 4.674 2.466 8.248 0.2518 1.4697 -0.5663 2410SOL OH223356 5.768 3.537 7.620 -0.0540 0.4927 -0.1250 2410SOL H123357 5.677 3.514 7.637 0.0823 -1.9942 -2.0393 2410SOL H223358 5.768 3.571 7.530 0.8196 1.1607 0.1114 2411SOL OH223359 3.957 3.482 2.125 -0.1702 -0.1132 -0.0117 2411SOL H123360 3.910 3.398 2.130 -0.2324 -0.1721 -1.2497 2411SOL H223361 3.941 3.513 2.036 -0.9176 1.6844 0.6955 2412SOL OH223362 1.668 4.191 6.724 -0.0304 0.1422 0.0608 2412SOL H123363 1.716 4.223 6.648 -0.1143 1.6827 0.6337 2412SOL H223364 1.734 4.182 6.793 -0.0551 -0.6758 -0.0143 2413SOL OH223365 1.091 2.296 1.302 -0.5102 -0.2269 -0.4006 2413SOL H123366 1.151 2.357 1.344 -0.7760 0.3833 -0.8942 2413SOL H223367 1.054 2.345 1.228 -0.8404 -0.9323 -0.7144 2414SOL OH223368 3.006 4.408 7.424 -0.1606 0.8734 0.2958 2414SOL H123369 2.991 4.426 7.331 -0.2159 1.1229 0.3529 2414SOL H223370 2.930 4.358 7.451 -0.0348 0.6015 0.1496 2415SOL OH223371 4.602 4.601 0.531 0.0371 0.3201 -0.0364 2415SOL H123372 4.568 4.690 0.531 -1.4184 -0.1857 1.3702 2415SOL H223373 4.570 4.562 0.612 -0.7429 -1.9764 -1.3323 2416SOL OH223374 1.036 5.750 1.747 -0.3309 0.0410 0.0668 2416SOL H123375 0.959 5.774 1.695 0.8690 -1.0273 -2.3045 2416SOL H223376 1.024 5.657 1.766 -1.1002 0.5555 2.4318 2417SOL OH223377 3.308 2.259 7.785 -0.2955 0.2215 0.0013 2417SOL H123378 3.282 2.171 7.812 1.2001 0.0285 0.9345 2417SOL H223379 3.403 2.259 7.792 -0.0542 1.1432 -2.4398 2418SOL OH223380 4.080 4.896 1.776 -0.1890 0.1066 0.6967 2418SOL H123381 4.053 4.912 1.867 -0.7387 -2.1358 0.9964 2418SOL H223382 4.025 4.823 1.748 0.9032 -0.1036 -1.0009 2419SOL OH223383 1.428 1.482 0.591 -0.2874 -0.2252 0.0058 2419SOL H123384 1.505 1.430 0.615 -0.4387 -0.5503 -0.2019 2419SOL H223385 1.406 1.452 0.502 -0.7122 -0.2034 0.1015 2420SOL OH223386 4.828 5.546 7.917 -0.2413 0.1350 -0.1124 2420SOL H123387 4.739 5.577 7.934 -0.6065 -0.2144 -1.3036 2420SOL H223388 4.843 5.565 7.825 0.3810 -1.1206 -0.2938 2421SOL OH223389 4.929 0.692 1.426 -0.4053 -0.1406 -0.4146 2421SOL H123390 4.852 0.710 1.372 -0.2654 -0.1177 -0.6073 2421SOL H223391 4.995 0.662 1.364 -0.7691 -1.7564 -0.0640 2422SOL OH223392 4.129 2.456 1.176 -0.2277 0.2098 -0.3040 2422SOL H123393 4.077 2.491 1.248 -0.8859 0.5626 -0.9385 2422SOL H223394 4.083 2.376 1.150 1.2803 -1.2196 1.1517 2423SOL OH223395 5.287 3.347 0.506 -0.4970 0.2022 -0.2061 2423SOL H123396 5.247 3.261 0.521 -2.1356 0.9689 0.0340 2423SOL H223397 5.309 3.347 0.413 -0.7747 -0.3678 -0.2773 2424SOL OH223398 4.925 5.291 7.622 0.1021 0.2289 -0.1504 2424SOL H123399 4.965 5.210 7.590 -1.5085 -0.3256 -0.8425 2424SOL H223400 4.929 5.283 7.718 1.8449 0.3373 -0.1716 2425SOL OH223401 4.417 1.339 2.481 0.2599 0.0455 0.6704 2425SOL H123402 4.383 1.251 2.500 -2.0781 0.3812 -1.4852 2425SOL H223403 4.492 1.324 2.423 -0.6448 -0.5476 -0.3828 2426SOL OH223404 0.569 5.799 0.142 0.1473 0.3261 -0.1657 2426SOL H123405 0.622 5.873 0.172 -0.0385 -0.0532 1.1311 2426SOL H223406 0.604 5.723 0.189 0.0449 -0.3567 -1.1411 2427SOL OH223407 2.786 2.574 7.270 -0.3007 0.2505 0.6808 2427SOL H123408 2.867 2.617 7.245 -0.1741 -0.6085 -0.4343 2427SOL H223409 2.774 2.599 7.362 0.3989 1.6390 0.4294 2428SOL OH223410 5.748 5.043 8.092 -0.2519 0.0070 0.5143 2428SOL H123411 5.818 5.056 8.028 0.2271 -1.5775 0.6479 2428SOL H223412 5.765 5.108 8.160 -0.2612 1.1370 -0.5464 2429SOL OH223413 5.207 2.303 7.167 0.3906 0.4452 -0.0597 2429SOL H123414 5.157 2.384 7.179 2.6395 2.2654 -2.0314 2429SOL H223415 5.260 2.295 7.246 1.3314 1.8653 -0.5008 2430SOL OH223416 6.017 0.260 1.520 0.1303 0.1405 0.1124 2430SOL H123417 5.998 0.343 1.476 0.4134 -0.2438 -0.7549 2430SOL H223418 6.046 0.285 1.608 2.3121 1.0888 -0.8108 2431SOL OH223419 4.743 4.589 8.061 -0.4702 -0.4040 0.0379 2431SOL H123420 4.798 4.599 8.138 -0.1601 -0.6690 -0.1457 2431SOL H223421 4.676 4.657 8.070 1.3090 1.5739 -0.9558 2432SOL OH223422 2.962 0.313 7.417 -0.6381 -0.2258 0.7705 2432SOL H123423 3.007 0.310 7.501 0.2075 0.0754 0.3418 2432SOL H223424 3.025 0.276 7.355 -0.9563 0.2498 0.1473 2433SOL OH223425 5.479 3.556 7.720 0.2227 -0.4083 0.4368 2433SOL H123426 5.464 3.511 7.637 0.3645 0.1108 0.1263 2433SOL H223427 5.458 3.490 7.787 -0.9165 -0.5113 0.0022 2434SOL OH223428 0.947 2.300 0.815 0.6311 -0.1635 0.4575 2434SOL H123429 0.961 2.283 0.722 3.3184 0.0013 0.7347 2434SOL H223430 0.870 2.356 0.818 0.8524 0.3501 -1.7269 2435SOL OH223431 3.278 3.451 1.368 0.0281 -0.1059 0.3848 2435SOL H123432 3.195 3.404 1.356 0.3573 -0.0505 -3.3656 2435SOL H223433 3.345 3.389 1.338 1.3701 0.0726 2.7828 2436SOL OH223434 2.898 4.942 5.989 -0.3605 0.2325 -0.0380 2436SOL H123435 2.870 5.024 5.949 -1.3963 -0.0518 0.0849 2436SOL H223436 2.818 4.891 5.999 0.1592 -0.4856 0.6013 2437SOL OH223437 3.258 5.919 0.356 0.1803 0.5414 -0.4674 2437SOL H123438 3.315 5.866 0.300 -2.1233 -0.2794 -2.1565 2437SOL H223439 3.241 5.863 0.432 -0.7620 -0.4486 -1.3777 2438SOL OH223440 1.797 1.991 2.075 -0.3368 -0.2537 0.0895 2438SOL H123441 1.859 1.986 2.002 -0.8621 0.4376 -0.4210 2438SOL H223442 1.840 2.045 2.140 -0.4127 0.2736 -0.2890 2439SOL OH223443 5.349 2.741 0.451 -0.1871 0.0817 0.4486 2439SOL H123444 5.390 2.709 0.371 0.8064 -1.2178 1.4340 2439SOL H223445 5.255 2.723 0.439 0.0719 -0.9915 -0.0211 2440SOL OH223446 2.894 1.027 0.666 -0.3272 0.4787 -0.2529 2440SOL H123447 2.931 0.939 0.654 0.3146 0.5753 0.9369 2440SOL H223448 2.964 1.086 0.639 -1.3514 0.6736 -2.7903 2441SOL OH223449 2.053 5.366 1.369 0.4275 -1.0566 0.4162 2441SOL H123450 2.138 5.348 1.410 0.4219 -1.6925 0.1563 2441SOL H223451 2.045 5.461 1.371 1.8296 -0.8687 -0.9039 2442SOL OH223452 4.593 1.878 1.843 -0.0606 -0.4882 0.1933 2442SOL H123453 4.507 1.878 1.886 -0.1130 1.1947 0.1548 2442SOL H223454 4.586 1.945 1.776 1.1633 -0.6381 -0.1027 2443SOL OH223455 5.077 2.305 7.475 -0.4464 0.2020 0.0028 2443SOL H123456 5.057 2.220 7.514 0.1623 0.1935 0.3111 2443SOL H223457 5.166 2.295 7.441 0.7650 1.5531 2.5006 2444SOL OH223458 1.789 0.339 1.734 -0.7877 0.1579 -0.0669 2444SOL H123459 1.812 0.293 1.815 -2.2768 0.6184 0.6584 2444SOL H223460 1.813 0.430 1.752 -0.4470 0.1379 -0.4237 2445SOL OH223461 0.906 4.414 7.536 -0.1068 -0.4140 -0.4252 2445SOL H123462 0.853 4.420 7.616 -0.2798 1.2489 -0.6145 2445SOL H223463 0.953 4.497 7.533 2.4082 -1.7446 -0.3760 2446SOL OH223464 3.139 0.162 6.923 -0.5608 -0.0427 0.0939 2446SOL H123465 3.058 0.146 6.875 0.0715 -2.6747 -0.2340 2446SOL H223466 3.205 0.111 6.877 0.3466 -1.6790 2.9305 2447SOL OH223467 5.404 0.551 7.059 -0.5520 0.3527 0.7127 2447SOL H123468 5.468 0.509 7.001 -2.3051 -1.3451 -0.0790 2447SOL H223469 5.436 0.532 7.147 -0.2199 -0.9199 0.3414 2448SOL OH223470 5.706 1.676 8.131 -0.5448 0.4183 0.2485 2448SOL H123471 5.698 1.597 8.184 -1.5976 1.9920 2.5652 2448SOL H223472 5.765 1.732 8.180 -0.8077 1.5724 -0.7211 2449SOL OH223473 3.914 1.168 0.656 0.1392 0.1582 0.1267 2449SOL H123474 3.926 1.262 0.647 -0.8351 0.2575 -0.2823 2449SOL H223475 3.822 1.153 0.634 0.0678 -0.7910 0.9588 2450SOL OH223476 5.944 5.741 7.714 -0.4270 -0.0317 -0.2661 2450SOL H123477 5.901 5.713 7.633 -0.7824 -1.2676 0.3220 2450SOL H223478 5.900 5.691 7.782 0.4572 0.3550 0.6008 2451SOL OH223479 2.120 1.765 1.403 -0.4713 0.1810 -0.1226 2451SOL H123480 2.119 1.809 1.318 -0.9163 0.3001 -0.0559 2451SOL H223481 2.028 1.745 1.421 -0.5541 1.4738 1.0258 2452SOL OH223482 1.744 5.466 8.307 0.0068 -0.4440 0.3229 2452SOL H123483 1.718 5.374 8.305 -0.3047 -0.3483 -0.3769 2452SOL H223484 1.670 5.510 8.349 0.1679 -0.5147 0.6835 2453SOL OH223485 5.169 4.895 0.475 -0.0895 0.6653 0.2943 2453SOL H123486 5.203 4.811 0.506 -1.8249 -0.5913 -1.0342 2453SOL H223487 5.232 4.923 0.408 1.3377 1.2715 1.8046 2454SOL OH223488 2.503 0.772 1.702 0.1258 0.1695 0.0320 2454SOL H123489 2.598 0.783 1.712 -0.1720 2.2389 1.1505 2454SOL H223490 2.484 0.804 1.614 0.2615 1.5655 0.4897 2455SOL OH223491 1.822 5.835 1.073 -0.0073 -0.7318 0.1609 2455SOL H123492 1.890 5.803 1.132 1.4037 0.4049 -0.7753 2455SOL H223493 1.831 5.930 1.075 0.1301 -0.6472 -1.9097 2456SOL OH223494 3.590 0.052 0.689 -0.4188 0.4538 -0.8672 2456SOL H123495 3.619 -0.034 0.719 1.7539 1.4622 0.1259 2456SOL H223496 3.516 0.074 0.746 -0.6100 -0.4932 -0.7392 2457SOL OH223497 2.564 5.648 7.013 0.2434 -0.1252 0.4590 2457SOL H123498 2.512 5.604 6.946 -0.6969 -2.4612 2.5907 2457SOL H223499 2.614 5.578 7.055 1.0589 1.3134 2.0050 2458SOL OH223500 6.005 2.217 0.965 0.4022 -0.1122 -0.4419 2458SOL H123501 6.088 2.174 0.943 0.1633 -0.2402 -1.1365 2458SOL H223502 5.950 2.202 0.888 -0.2479 0.0202 -0.0088 2459SOL OH223503 5.995 4.177 7.710 0.2231 0.8581 0.5548 2459SOL H123504 6.083 4.145 7.725 -0.4689 -0.9032 1.0648 2459SOL H223505 5.981 4.166 7.616 0.1393 0.0339 0.6609 2460SOL OH223506 3.058 5.266 6.706 -0.1625 -0.5831 0.1343 2460SOL H123507 3.079 5.301 6.619 0.0841 -0.6574 0.1650 2460SOL H223508 3.115 5.314 6.766 0.0849 -0.9469 0.1924 2461SOL OH223509 4.077 4.454 6.531 -0.2176 -0.0798 0.7570 2461SOL H123510 4.140 4.495 6.473 -0.7683 0.5612 0.5954 2461SOL H223511 3.992 4.467 6.488 -0.5583 -0.1460 1.3845 2462SOL OH223512 1.830 5.909 6.645 -0.2058 0.2036 -0.8794 2462SOL H123513 1.874 5.994 6.651 -0.9466 0.4855 1.3312 2462SOL H223514 1.780 5.914 6.563 -0.2281 1.9181 -0.7974 2463SOL OH223515 2.194 5.201 7.383 0.6967 0.0956 -0.2052 2463SOL H123516 2.152 5.145 7.448 -0.5854 2.1536 0.8374 2463SOL H223517 2.166 5.164 7.299 0.9773 -1.5729 0.3835 2464SOL OH223518 3.420 1.310 7.757 0.2095 -0.2100 -0.3180 2464SOL H123519 3.365 1.384 7.784 -1.5403 -0.4218 -3.0229 2464SOL H223520 3.412 1.247 7.829 1.5050 1.9760 1.9284 2465SOL OH223521 5.012 2.825 6.971 -0.3637 0.7960 -0.1510 2465SOL H123522 5.073 2.849 6.901 1.8308 0.7060 1.6178 2465SOL H223523 5.000 2.731 6.961 -1.7903 1.0824 -1.6299 2466SOL OH223524 2.587 3.943 0.990 0.2195 0.0974 -1.1009 2466SOL H123525 2.542 3.943 1.074 1.0835 -1.2132 -0.6136 2466SOL H223526 2.522 3.978 0.928 -0.4858 0.9124 0.0559 2467SOL OH223527 4.446 2.181 8.175 0.2572 -0.8007 0.2182 2467SOL H123528 4.518 2.127 8.141 1.6204 0.9546 0.1833 2467SOL H223529 4.463 2.186 8.269 0.3096 -0.2209 0.1813 2468SOL OH223530 1.341 2.776 1.936 0.1140 0.4886 -0.3131 2468SOL H123531 1.300 2.818 2.012 0.4007 2.1385 -1.0451 2468SOL H223532 1.276 2.783 1.866 -0.2572 -1.2691 -0.1883 2469SOL OH223533 4.349 1.877 6.983 0.0593 0.1947 0.3054 2469SOL H123534 4.353 1.954 6.926 1.4244 0.2829 0.4837 2469SOL H223535 4.394 1.809 6.933 -0.9104 -0.4316 0.2640 2470SOL OH223536 5.277 0.287 7.831 0.4587 -0.6201 -0.1413 2470SOL H123537 5.345 0.317 7.770 -0.1478 -0.5039 -0.7651 2470SOL H223538 5.195 0.302 7.785 -0.0920 0.4952 1.1391 2471SOL OH223539 0.356 5.474 0.265 0.1520 -0.7687 -0.4653 2471SOL H123540 0.353 5.520 0.349 1.5021 -2.4408 0.5601 2471SOL H223541 0.265 5.471 0.236 -0.0276 2.5518 -0.6662 2472SOL OH223542 3.742 4.823 6.796 0.1877 -0.5325 0.2100 2472SOL H123543 3.676 4.833 6.728 -1.2419 -1.4276 1.3988 2472SOL H223544 3.814 4.777 6.753 -0.3086 -0.2861 -0.9103 2473SOL OH223545 4.729 4.949 7.693 0.1553 -0.2748 0.2297 2473SOL H123546 4.808 4.894 7.698 0.4741 0.2139 0.6162 2473SOL H223547 4.742 5.016 7.761 0.2429 0.8894 -0.9060 2474SOL OH223548 5.860 3.531 0.153 -0.1436 -0.4013 0.7453 2474SOL H123549 5.918 3.490 0.088 -0.7050 0.2049 -0.1707 2474SOL H223550 5.837 3.615 0.114 -0.7264 -0.1447 1.6209 2475SOL OH223551 2.112 4.698 1.657 -0.6917 -0.2387 0.4409 2475SOL H123552 2.163 4.769 1.618 0.3298 -2.0781 -1.8624 2475SOL H223553 2.173 4.654 1.715 0.2998 -2.0260 -1.7970 2476SOL OH223554 5.047 0.882 2.679 0.1476 0.5556 -0.1620 2476SOL H123555 4.991 0.847 2.748 -1.3390 0.8862 -1.1529 2476SOL H223556 5.130 0.902 2.723 0.4998 -2.4869 0.8066 2477SOL OH223557 2.090 1.219 1.420 -0.6273 0.1094 0.3914 2477SOL H123558 2.039 1.155 1.470 -0.2775 -0.5892 -0.1313 2477SOL H223559 2.096 1.295 1.478 -1.0748 -0.3171 1.0125 2478SOL OH223560 1.813 2.508 1.428 0.1150 0.2460 -0.4175 2478SOL H123561 1.848 2.496 1.340 -1.1789 1.2807 -1.1098 2478SOL H223562 1.887 2.543 1.478 0.2934 1.8315 -1.6906 2479SOL OH223563 1.675 3.598 0.238 0.3843 -0.4159 -0.0470 2479SOL H123564 1.687 3.603 0.333 -0.2379 -1.8173 0.1317 2479SOL H223565 1.725 3.672 0.203 0.7098 0.0520 1.3606 2480SOL OH223566 4.279 0.226 0.534 0.3871 0.1839 0.3142 2480SOL H123567 4.212 0.166 0.499 0.4998 -0.4610 1.1683 2480SOL H223568 4.290 0.292 0.466 0.8525 -1.2206 -1.0272 2481SOL OH223569 0.021 3.664 0.425 0.2742 0.1591 -0.0652 2481SOL H123570 0.037 3.704 0.339 -0.2553 0.6381 0.0597 2481SOL H223571 0.040 3.571 0.411 -0.5684 0.1011 -0.9031 2482SOL OH223572 5.409 0.856 6.763 -0.1268 -0.1131 0.0123 2482SOL H123573 5.499 0.866 6.734 0.3319 -0.6759 1.1963 2482SOL H223574 5.356 0.872 6.684 0.9680 0.7496 -0.5743 2483SOL OH223575 5.360 2.650 7.361 0.2467 -0.1673 -1.0207 2483SOL H123576 5.371 2.600 7.442 -0.1974 -1.5020 -1.7578 2483SOL H223577 5.274 2.691 7.369 -0.0913 -0.8607 -1.1121 2484SOL OH223578 0.202 0.073 1.560 0.3871 0.0042 -0.1460 2484SOL H123579 0.238 0.162 1.559 -0.0241 0.1760 -0.7112 2484SOL H223580 0.161 0.064 1.474 -0.7010 -0.2669 0.3849 2485SOL OH223581 2.046 3.371 1.071 -0.1582 0.0884 -0.1760 2485SOL H123582 1.966 3.423 1.061 0.3254 1.3315 1.8637 2485SOL H223583 2.116 3.428 1.038 -0.0635 -1.0326 -2.0519 2486SOL OH223584 2.499 4.961 1.063 0.5219 0.3840 0.1774 2486SOL H123585 2.592 4.945 1.046 0.4240 0.2034 -0.1865 2486SOL H223586 2.498 5.003 1.150 1.0235 1.3766 -0.2769 2487SOL OH223587 0.161 3.066 2.238 -0.2069 -0.1952 -0.0041 2487SOL H123588 0.091 3.001 2.246 0.2009 -0.7999 -1.1077 2487SOL H223589 0.146 3.127 2.310 -2.0442 -0.1358 -0.3922 2488SOL OH223590 0.539 1.824 8.119 0.0981 -0.7855 -0.5066 2488SOL H123591 0.527 1.772 8.199 1.0275 0.1701 0.2932 2488SOL H223592 0.455 1.869 8.107 -0.1144 -1.0829 -0.1575 2489SOL OH223593 0.790 2.023 8.282 -0.0611 -0.6122 0.2733 2489SOL H123594 0.835 1.942 8.259 0.9373 0.3405 -1.3842 2489SOL H223595 0.822 2.087 8.218 -1.7139 0.8017 0.7768 2490SOL OH223596 4.792 4.464 1.905 -0.1239 0.2550 0.7907 2490SOL H123597 4.848 4.401 1.860 0.8432 1.4640 0.2457 2490SOL H223598 4.825 4.467 1.994 0.7669 1.0158 0.4527 2491SOL OH223599 5.910 0.921 7.992 0.3360 -0.0354 -0.0399 2491SOL H123600 5.889 0.975 7.916 -0.7173 1.3991 1.2081 2491SOL H223601 5.966 0.976 8.046 -0.3131 -0.3774 1.0136 2492SOL OH223602 1.342 3.867 1.737 -0.0076 0.2010 0.4091 2492SOL H123603 1.255 3.888 1.770 -1.0167 -1.9605 -0.7070 2492SOL H223604 1.385 3.823 1.810 0.1682 1.2155 0.9404 2493SOL OH223605 3.988 0.220 1.171 -0.1268 0.0893 0.4632 2493SOL H123606 4.073 0.192 1.139 -0.7923 -0.0669 -1.2823 2493SOL H223607 3.926 0.159 1.131 -1.0038 -0.6515 2.7382 2494SOL OH223608 4.794 1.568 7.944 0.3086 -0.0583 0.0851 2494SOL H123609 4.749 1.546 7.862 0.9551 -0.3502 -0.1976 2494SOL H223610 4.857 1.635 7.919 1.1869 -0.8396 0.1419 2495SOL OH223611 5.045 3.977 1.317 0.0862 -0.4466 0.6343 2495SOL H123612 5.123 3.923 1.329 -0.3195 -0.7403 2.0916 2495SOL H223613 5.079 4.066 1.307 0.7329 -0.8657 -1.3949 2496SOL OH223614 4.506 5.813 6.874 0.0219 0.4531 0.5669 2496SOL H123615 4.551 5.870 6.811 0.5656 1.4343 1.8007 2496SOL H223616 4.552 5.729 6.868 -0.1093 0.4484 -0.5251 2497SOL OH223617 1.917 2.837 1.776 0.0749 -0.2683 0.2119 2497SOL H123618 1.855 2.893 1.729 -0.7307 -1.1107 0.2549 2497SOL H223619 1.872 2.813 1.856 0.2964 -1.2165 0.0612 2498SOL OH223620 5.088 1.611 1.292 0.2804 0.0098 0.0483 2498SOL H123621 5.152 1.561 1.342 0.2370 -0.3257 -0.2296 2498SOL H223622 5.062 1.682 1.350 1.6729 0.7516 -0.2059 2499SOL OH223623 4.225 0.569 0.167 -0.1107 -0.6501 -0.4632 2499SOL H123624 4.259 0.504 0.105 -0.3250 -0.3722 -0.8735 2499SOL H223625 4.130 0.555 0.167 -0.4438 1.1667 -2.3170 2500SOL OH223626 2.440 2.895 0.603 -0.1497 0.1607 -0.4345 2500SOL H123627 2.451 2.985 0.633 0.5474 -0.5148 1.5373 2500SOL H223628 2.346 2.878 0.610 -0.3496 0.8433 -1.2596 2501SOL OH223629 5.410 5.530 1.446 0.1757 -0.5217 0.4178 2501SOL H123630 5.434 5.622 1.436 -2.9824 0.2776 -1.1001 2501SOL H223631 5.378 5.522 1.535 0.8418 -0.2851 0.6848 2502SOL OH223632 0.765 3.137 2.362 -0.2531 0.2884 -0.2229 2502SOL H123633 0.801 3.226 2.371 0.5494 -0.1415 1.1781 2502SOL H223634 0.694 3.134 2.426 -1.1375 0.3084 -1.1766 2503SOL OH223635 3.568 0.109 1.626 0.3969 -0.0250 -0.1490 2503SOL H123636 3.653 0.066 1.638 0.0498 -0.2446 1.9370 2503SOL H223637 3.510 0.040 1.595 0.4470 -0.4972 0.7581 2504SOL OH223638 2.028 4.167 7.588 -0.1943 -0.1650 -1.2175 2504SOL H123639 1.935 4.182 7.575 -0.4031 -1.0817 -0.8600 2504SOL H223640 2.038 4.155 7.682 0.1369 -0.9215 -1.3371 2505SOL OH223641 1.534 0.431 1.634 -0.3017 -0.3421 0.0297 2505SOL H123642 1.525 0.383 1.716 0.5003 -0.7815 -0.1304 2505SOL H223643 1.627 0.426 1.613 -0.6068 -0.8616 -1.2757 2506SOL OH223644 0.296 4.397 1.851 -0.0150 -0.3057 -0.1330 2506SOL H123645 0.231 4.467 1.849 -0.9558 -1.1631 -1.8913 2506SOL H223646 0.344 4.411 1.932 -0.7778 1.8169 0.0175 2507SOL OH223647 2.256 4.556 7.783 -0.3553 -0.2547 -0.8462 2507SOL H123648 2.201 4.535 7.859 -0.3234 0.3028 -0.6564 2507SOL H223649 2.341 4.578 7.822 0.2085 -1.7394 -1.1813 2508SOL OH223650 0.097 2.947 1.827 -0.2393 -0.3319 -0.2261 2508SOL H123651 0.116 3.036 1.856 0.6587 -0.6053 0.0698 2508SOL H223652 0.175 2.921 1.778 -0.3063 -1.1121 0.0689 2509SOL OH223653 1.624 3.973 1.824 0.0734 -0.2277 0.3042 2509SOL H123654 1.582 3.951 1.907 -1.0451 0.4011 -0.0809 2509SOL H223655 1.670 3.893 1.799 -1.1835 -1.0599 0.5639 2510SOL OH223656 0.161 2.931 7.646 0.1640 0.2819 -0.1853 2510SOL H123657 0.159 2.908 7.739 -2.1811 -0.6306 -0.4086 2510SOL H223658 0.122 3.018 7.642 1.0994 0.7111 -0.2508 2511SOL OH223659 3.727 3.529 8.151 0.3710 0.4395 0.1273 2511SOL H123660 3.648 3.498 8.107 0.1504 0.4690 0.4983 2511SOL H223661 3.779 3.570 8.081 0.8093 -1.0176 -0.4373 2512SOL OH223662 5.223 0.776 0.001 0.3189 -0.3683 0.1924 2512SOL H123663 5.260 0.732 0.077 -0.5211 -1.4061 0.0268 2512SOL H223664 5.140 0.731 -0.014 -1.1948 2.0435 0.7399 2513SOL OH223665 2.899 4.656 1.438 -0.3605 -0.5485 -0.1941 2513SOL H123666 2.902 4.682 1.346 1.3965 -0.5107 -0.1568 2513SOL H223667 2.937 4.568 1.440 -0.5331 -0.6182 0.4898 2514SOL OH223668 4.198 3.968 0.298 -0.0995 -0.2664 0.3780 2514SOL H123669 4.159 3.968 0.210 0.6498 0.1087 0.0358 2514SOL H223670 4.187 4.058 0.329 -1.4715 -0.6837 1.1934 2515SOL OH223671 2.311 2.173 1.204 -0.2902 -0.3467 0.3965 2515SOL H123672 2.223 2.139 1.217 -0.2708 0.0908 1.9309 2515SOL H223673 2.366 2.095 1.195 -0.6574 -0.6601 0.8025 2516SOL OH223674 1.527 5.801 1.994 0.5716 0.0552 -0.4156 2516SOL H123675 1.588 5.729 2.007 -0.4976 -0.9772 -0.9118 2516SOL H223676 1.440 5.760 2.000 -0.0775 1.4617 0.2001 2517SOL OH223677 5.451 0.301 7.614 -0.0694 0.5638 -0.1683 2517SOL H123678 5.485 0.380 7.573 -0.5424 0.6784 -0.3515 2517SOL H223679 5.528 0.246 7.629 0.2927 1.1571 0.1833 2518SOL OH223680 1.682 5.929 1.485 0.5868 -0.2038 -0.0420 2518SOL H123681 1.733 6.010 1.489 -2.5794 1.9040 3.2119 2518SOL H223682 1.721 5.872 1.551 0.3203 0.3920 0.6444 2519SOL OH223683 0.575 0.988 1.442 0.3254 -0.8801 0.2150 2519SOL H123684 0.491 1.033 1.426 0.2622 -1.0004 0.2066 2519SOL H223685 0.562 0.900 1.406 0.4664 -0.8881 0.1866 2520SOL OH223686 2.445 3.759 7.185 0.1946 -0.3514 0.2112 2520SOL H123687 2.385 3.788 7.254 0.9139 -0.9889 1.1383 2520SOL H223688 2.514 3.824 7.185 0.8166 -0.9814 0.9591 2521SOL OH223689 0.536 4.204 7.528 0.1106 0.0830 -0.3756 2521SOL H123690 0.445 4.217 7.556 -0.3527 -0.3802 -1.5615 2521SOL H223691 0.559 4.286 7.484 0.0005 -0.0788 -0.7372 2522SOL OH223692 0.473 4.755 1.600 -0.0371 0.2521 0.0396 2522SOL H123693 0.503 4.836 1.559 -0.0843 0.0713 -0.3619 2522SOL H223694 0.541 4.732 1.662 0.7671 -0.2555 -0.9895 2523SOL OH223695 0.180 3.596 0.914 0.0810 -0.0070 -0.0032 2523SOL H123696 0.116 3.571 0.847 0.0571 -0.4445 0.1787 2523SOL H223697 0.203 3.514 0.957 0.4872 0.1998 0.1824 2524SOL OH223698 1.045 2.278 8.191 -0.4966 -0.3687 0.0431 2524SOL H123699 1.075 2.275 8.282 -1.7203 1.0780 0.5328 2524SOL H223700 1.104 2.219 8.144 0.4758 -0.7496 1.6783 2525SOL OH223701 1.264 4.822 2.396 0.1230 0.5654 0.4100 2525SOL H123702 1.295 4.904 2.435 -1.4439 1.2566 0.2703 2525SOL H223703 1.175 4.841 2.368 -0.2218 -1.1537 0.2361 2526SOL OH223704 4.935 3.042 8.193 0.2805 0.5576 -0.5126 2526SOL H123705 4.958 2.964 8.144 0.7797 -0.9818 1.9701 2526SOL 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H123741 2.884 5.167 6.938 -1.8500 0.1075 0.6659 2538SOL H223742 2.942 5.270 6.843 1.8316 -1.6334 0.8361 2539SOL OH223743 3.711 0.683 1.280 0.0033 0.2852 -0.0608 2539SOL H123744 3.767 0.693 1.203 0.3858 0.9247 0.2947 2539SOL H223745 3.681 0.592 1.276 -1.0253 0.6666 -1.6739 2540SOL OH223746 4.285 4.663 0.695 -1.2344 0.3495 -0.0734 2540SOL H123747 4.326 4.746 0.671 -0.2147 -0.1732 -0.2098 2540SOL H223748 4.357 4.609 0.725 -1.6487 -1.0028 -1.3883 2541SOL OH223749 3.370 3.168 8.034 -0.3305 -0.0291 -0.3089 2541SOL H123750 3.349 3.086 7.991 0.4159 0.1367 -1.0297 2541SOL H223751 3.302 3.229 8.005 -1.5797 -0.6663 1.1739 2542SOL OH223752 1.380 4.192 7.681 -0.0838 0.0873 -0.3602 2542SOL H123753 1.467 4.173 7.646 -0.6749 -1.3204 -1.1693 2542SOL H223754 1.325 4.123 7.645 -1.5957 1.1033 -0.0837 2543SOL OH223755 2.851 0.803 7.308 -0.0530 0.0855 -0.5736 2543SOL H123756 2.767 0.758 7.320 0.0437 -0.2614 -1.1692 2543SOL H223757 2.900 0.745 7.250 -0.0740 1.1553 -1.6827 2544SOL OH223758 4.624 5.035 1.362 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2.713 1.421 -0.0298 0.6448 0.5286 2573SOL H223847 4.501 2.698 1.510 0.4839 -0.5763 -0.3496 2574SOL OH223848 5.302 4.199 7.669 0.1189 -0.3831 -0.0582 2574SOL H123849 5.233 4.215 7.733 0.6306 3.4458 -0.2117 2574SOL H223850 5.381 4.235 7.709 1.5377 -2.2701 -0.9791 2575SOL OH223851 2.175 5.838 1.075 -0.3875 -0.2093 0.1550 2575SOL H123852 2.166 5.755 1.029 0.9589 -0.2002 -0.1714 2575SOL H223853 2.269 5.850 1.085 -0.5866 0.8867 0.9252 2576SOL OH223854 2.836 3.756 8.033 -0.6868 -0.1936 -0.1215 2576SOL H123855 2.755 3.733 8.079 -0.5938 0.3425 0.3334 2576SOL H223856 2.906 3.728 8.092 -0.5705 1.0530 0.3805 2577SOL OH223857 2.894 0.821 1.499 -0.5723 0.2410 -0.4182 2577SOL H123858 2.971 0.767 1.479 1.6475 2.0791 2.3296 2577SOL H223859 2.879 0.872 1.419 0.7017 -0.5890 -1.2267 2578SOL OH223860 3.080 5.820 1.976 0.1601 0.1429 -0.4073 2578SOL H123861 3.140 5.757 1.935 -0.4487 -0.7577 0.0415 2578SOL H223862 3.127 5.904 1.972 2.0241 -0.7422 1.0928 2579SOL OH223863 4.173 0.390 7.521 0.6563 0.3021 -0.1152 2579SOL H123864 4.177 0.459 7.587 -0.8406 -0.8777 1.2932 2579SOL H223865 4.155 0.311 7.570 0.1281 -0.7412 -1.8894 2580SOL OH223866 4.527 4.166 0.533 -0.0947 -0.1047 0.0900 2580SOL H123867 4.529 4.076 0.501 -1.4678 -0.3491 0.6425 2580SOL H223868 4.601 4.172 0.593 0.4469 -0.6410 -0.5147 2581SOL OH223869 5.963 4.752 6.188 0.1278 -0.4367 0.1140 2581SOL H123870 5.996 4.807 6.117 -0.1445 1.7217 1.5488 2581SOL H223871 6.024 4.679 6.193 1.9516 1.0057 -0.3122 2582SOL OH223872 5.586 2.078 1.851 0.4467 0.0433 0.5806 2582SOL H123873 5.596 2.092 1.756 1.2383 -0.0826 0.6397 2582SOL H223874 5.540 2.156 1.881 -0.4886 -0.2578 -0.0186 2583SOL OH223875 0.453 4.048 0.220 0.5973 0.2546 -0.6556 2583SOL H123876 0.498 4.007 0.146 0.4339 1.5767 -1.5230 2583SOL H223877 0.513 4.037 0.293 1.1041 -0.4153 -1.1514 2584SOL OH223878 0.725 1.049 0.160 -0.2175 -0.1199 0.0054 2584SOL H123879 0.791 1.076 0.096 1.1298 -0.0290 1.3671 2584SOL H223880 0.731 0.953 0.162 0.2618 -0.0870 0.4923 2585SOL OH223881 5.106 4.443 0.144 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OH223899 0.431 5.927 1.040 0.1027 -0.4479 0.4565 2591SOL H123900 0.390 5.883 1.115 0.8738 -0.4002 0.9240 2591SOL H223901 0.506 5.872 1.018 0.9223 0.4639 0.8763 2592SOL OH223902 4.648 4.064 0.133 0.5902 0.1724 -0.2582 2592SOL H123903 4.708 4.050 0.206 0.4393 -0.3716 -0.2303 2592SOL H223904 4.624 4.156 0.138 -0.8680 -0.2337 1.5141 2593SOL OH223905 0.795 2.397 7.482 -0.0444 0.6898 0.2221 2593SOL H123906 0.833 2.345 7.410 0.3564 1.7486 -0.3508 2593SOL H223907 0.769 2.332 7.547 1.1994 -0.1800 -0.1209 2594SOL OH223908 0.867 3.836 7.183 -0.0405 0.3568 -0.1506 2594SOL H123909 0.816 3.809 7.259 0.5968 2.1440 0.9665 2594SOL H223910 0.917 3.759 7.158 -2.6123 -1.2475 -0.8111 2595SOL OH223911 1.252 3.239 2.027 -0.1524 -0.5139 0.1331 2595SOL H123912 1.278 3.288 2.105 1.1854 -0.5506 -0.2622 2595SOL H223913 1.170 3.280 1.999 0.7830 1.3627 -0.0289 2596SOL OH223914 2.170 3.678 7.402 -0.5542 0.2227 -0.2843 2596SOL H123915 2.192 3.723 7.483 -1.3168 -1.3887 0.8669 2596SOL H223916 2.089 3.719 7.372 -1.0596 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2.006 1.358 0.4622 -0.4190 -0.0493 2603SOL OH223935 0.678 2.595 2.757 -0.3108 0.1214 0.3315 2603SOL H123936 0.602 2.651 2.772 -0.0520 0.7070 -0.4244 2603SOL H223937 0.743 2.626 2.820 -0.5043 0.0015 0.5910 2604SOL OH223938 0.144 1.977 2.603 -0.2715 0.0084 -0.4661 2604SOL H123939 0.191 2.051 2.563 1.3056 -1.7769 -2.1602 2604SOL H223940 0.089 1.943 2.533 1.5300 -2.3792 -0.8614 2605SOL OH223941 4.134 1.158 2.323 -0.2045 -0.2025 -0.4630 2605SOL H123942 4.133 1.206 2.240 -0.2582 -1.9394 -1.5050 2605SOL H223943 4.054 1.185 2.367 -0.1727 0.7444 -0.9493 2606SOL OH223944 3.737 0.657 2.210 -0.2010 -0.2080 -0.0280 2606SOL H123945 3.704 0.696 2.291 1.6959 2.5710 -0.4566 2606SOL H223946 3.794 0.586 2.239 -0.4991 -0.0408 1.0097 2607SOL OH223947 4.626 5.019 2.152 0.2537 0.7267 -0.4807 2607SOL H123948 4.648 5.102 2.195 -0.0832 -0.2606 1.7289 2607SOL H223949 4.661 4.952 2.211 0.4212 -0.7156 -2.1617 2608SOL OH223950 4.576 2.343 7.542 -0.1918 0.1525 -0.5575 2608SOL H123951 4.546 2.267 7.493 1.5557 -2.2940 1.8148 2608SOL H223952 4.664 2.361 7.508 -0.4116 0.8003 -0.7879 2609SOL OH223953 1.255 2.239 7.525 0.5876 -0.0814 -0.5548 2609SOL H123954 1.219 2.302 7.588 0.3417 0.9451 -1.6897 2609SOL H223955 1.200 2.162 7.534 -1.3175 1.1073 -1.5672 2610SOL OH223956 1.064 3.979 2.202 -0.0700 -0.2294 0.0992 2610SOL H123957 0.978 3.993 2.242 0.2217 1.3585 0.2415 2610SOL H223958 1.119 3.949 2.274 0.3355 2.1668 0.8684 2611SOL OH223959 2.635 0.323 1.305 -0.1760 -0.3492 -0.1210 2611SOL H123960 2.602 0.365 1.385 -0.1907 0.4978 -0.5601 2611SOL H223961 2.560 0.322 1.246 -0.4032 -1.7508 0.1562 2612SOL OH223962 1.269 1.281 2.734 -0.0422 -0.4173 0.3403 2612SOL H123963 1.199 1.310 2.793 1.2392 0.5819 1.4462 2612SOL H223964 1.338 1.250 2.793 1.1684 0.3486 -0.6289 2613SOL OH223965 5.342 4.950 6.880 -0.2172 0.0813 0.6663 2613SOL H123966 5.363 4.955 6.787 -0.5312 -1.0208 0.5277 2613SOL H223967 5.251 4.979 6.886 -0.0044 0.7528 0.7180 2614SOL OH223968 4.096 3.243 0.906 0.2548 -0.3995 0.1545 2614SOL H123969 4.190 3.256 0.895 0.0734 0.1713 -0.8783 2614SOL H223970 4.080 3.154 0.877 0.4889 -0.5216 0.3992 2615SOL OH223971 0.383 3.593 7.790 0.4707 -0.2639 0.1175 2615SOL H123972 0.376 3.686 7.766 1.1560 -0.3887 -0.6335 2615SOL H223973 0.320 3.581 7.860 -0.6846 0.4540 -0.7576 2616SOL OH223974 3.218 2.034 7.373 -0.1204 0.0986 -0.2048 2616SOL H123975 3.307 2.069 7.378 -0.7301 1.8580 -0.9253 2616SOL H223976 3.211 1.976 7.449 2.0559 -1.1588 -0.8702 2617SOL OH223977 0.647 4.025 6.340 -0.3909 -0.0035 -0.3409 2617SOL H123978 0.719 3.984 6.292 -1.8505 -1.8474 -1.0893 2617SOL H223979 0.658 4.119 6.324 3.4566 0.1501 1.9507 2618SOL OH223980 3.859 4.188 7.562 -0.2827 -0.4883 0.6102 2618SOL H123981 3.831 4.273 7.527 0.1649 -0.2107 0.9186 2618SOL H223982 3.780 4.149 7.598 -0.1908 0.5589 2.0420 2619SOL OH223983 1.780 2.518 7.992 0.3921 0.0308 0.0792 2619SOL H123984 1.727 2.529 7.913 2.0532 1.6188 -0.9147 2619SOL H223985 1.864 2.485 7.959 1.1393 0.7984 1.1342 2620SOL OH223986 2.014 5.222 6.231 0.3244 0.3950 -0.2773 2620SOL H123987 1.963 5.301 6.215 1.3041 1.4914 1.5753 2620SOL H223988 1.962 5.151 6.193 -1.4809 1.7107 -0.3826 2621SOL OH223989 4.063 3.280 0.580 0.4660 -0.2860 -0.4610 2621SOL H123990 4.144 3.250 0.538 0.1742 -1.8840 0.0195 2621SOL H223991 4.083 3.367 0.612 1.1729 0.4032 -2.5990 2622SOL OH223992 4.282 0.868 7.859 0.3560 0.2930 -0.1950 2622SOL H123993 4.278 0.964 7.860 0.1739 0.2864 -0.2748 2622SOL H223994 4.266 0.845 7.768 -1.9358 0.0892 0.1940 2623SOL OH223995 4.106 2.977 1.914 -0.1319 -0.7277 -0.2976 2623SOL H123996 4.174 3.022 1.864 1.6300 -1.5500 1.2159 2623SOL H223997 4.150 2.899 1.949 -1.3137 -0.3599 2.2220 2624SOL OH223998 4.469 0.219 7.682 -0.2633 -0.3004 0.0442 2624SOL H123999 4.509 0.306 7.680 -1.3388 0.2247 0.5961 2624SOL H224000 4.429 0.210 7.596 -1.8140 0.5816 0.6352 2625SOL OH224001 4.038 1.764 6.351 0.0960 0.5941 -0.0786 2625SOL H124002 4.133 1.757 6.343 0.2158 0.9561 0.8945 2625SOL H224003 4.015 1.841 6.299 0.2190 0.0133 -1.0207 2626SOL OH224004 5.979 2.457 8.134 0.5123 -0.3071 -0.0448 2626SOL H124005 6.049 2.522 8.142 1.4708 -1.4401 1.3949 2626SOL H224006 5.930 2.464 8.216 1.4103 -2.1897 0.7169 2627SOL OH224007 1.617 4.992 6.922 0.1907 -0.6629 0.0380 2627SOL H124008 1.620 4.924 6.855 -2.2011 0.7539 -1.6600 2627SOL H224009 1.673 5.063 6.888 -0.3172 -0.2932 -0.0359 2628SOL OH224010 1.704 5.564 8.013 -0.1255 -0.0046 0.0824 2628SOL H124011 1.640 5.496 8.030 0.0609 -0.1760 0.1044 2628SOL H224012 1.688 5.589 7.922 0.5717 -0.9074 -0.3064 2629SOL OH224013 5.949 2.771 8.320 0.2044 0.3898 0.0541 2629SOL H124014 5.907 2.728 8.395 1.5420 1.7055 1.6256 2629SOL H224015 5.892 2.750 8.246 -0.4002 -2.1741 1.1293 2630SOL OH224016 5.618 0.647 6.572 0.1972 -0.0641 0.2392 2630SOL H124017 5.638 0.647 6.478 -1.8520 -2.3715 -0.3004 2630SOL H224018 5.627 0.738 6.598 -1.9602 1.2199 -2.8791 2631SOL OH224019 3.311 1.100 1.959 -0.5012 -0.2180 0.1240 2631SOL H124020 3.226 1.144 1.959 -0.3328 0.3588 3.7692 2631SOL H224021 3.291 1.008 1.943 -1.6572 0.0861 -0.2772 2632SOL OH224022 5.805 2.120 0.783 -0.5795 0.0068 -1.0868 2632SOL H124023 5.826 2.026 0.777 0.6172 0.2840 -1.6087 2632SOL H224024 5.770 2.142 0.697 -0.5117 0.1144 -1.0872 2633SOL OH224025 3.803 1.782 6.512 -0.5765 0.3694 0.5822 2633SOL H124026 3.869 1.787 6.443 -0.6381 1.1438 0.5776 2633SOL H224027 3.730 1.734 6.472 -1.2405 2.1427 -0.4135 2634SOL OH224028 1.791 3.418 0.558 0.2181 -0.5111 0.2646 2634SOL H124029 1.870 3.410 0.613 0.5080 -3.0360 -0.3972 2634SOL H224030 1.808 3.360 0.483 -1.6187 0.1521 -0.7291 2635SOL OH224031 5.193 5.447 8.151 0.1571 -0.1790 -0.0280 2635SOL H124032 5.175 5.540 8.158 -2.7486 -0.3743 -2.8121 2635SOL H224033 5.132 5.406 8.211 2.0180 -0.3894 1.8559 2636SOL OH224034 3.124 2.441 8.147 -0.3291 -0.1227 0.0169 2636SOL H124035 3.127 2.350 8.117 -0.4916 -0.1244 0.0065 2636SOL H224036 3.059 2.441 8.217 -0.4394 0.0162 -0.0860 2637SOL OH224037 3.584 4.120 7.521 0.5860 -0.2138 0.0830 2637SOL H124038 3.538 4.036 7.525 0.5554 -0.3129 -1.4646 2637SOL H224039 3.516 4.184 7.502 0.4087 0.4048 2.5648 2638SOL OH224040 1.850 3.982 1.374 -1.0716 0.2151 0.1545 2638SOL H124041 1.862 3.911 1.437 -1.2475 0.4818 0.4923 2638SOL H224042 1.842 4.061 1.428 0.3582 0.6718 -0.2496 2639SOL OH224043 2.149 5.152 7.754 0.4366 -0.3082 -0.5266 2639SOL H124044 2.244 5.152 7.770 0.0710 -0.4167 2.0783 2639SOL H224045 2.132 5.066 7.716 1.3657 -0.3729 -0.8288 2640SOL OH224046 0.741 4.383 6.833 0.1220 -0.5353 0.4111 2640SOL H124047 0.754 4.478 6.824 2.2782 -0.9041 -1.3174 2640SOL H224048 0.791 4.359 6.911 -1.3794 -0.1366 1.5329 2641SOL OH224049 1.629 4.611 1.062 -0.3516 0.1375 -0.2991 2641SOL H124050 1.552 4.660 1.035 0.4233 1.5657 -0.0317 2641SOL H224051 1.656 4.653 1.144 0.3321 -0.7523 -0.0572 2642SOL OH224052 0.213 3.740 6.345 0.0924 0.2581 -0.0008 2642SOL H124053 0.263 3.770 6.269 2.0850 -0.3932 1.0018 2642SOL H224054 0.198 3.647 6.328 1.1153 -0.0440 0.6759 2643SOL OH224055 1.048 1.210 7.350 -0.0287 -0.5602 0.1861 2643SOL H124056 1.041 1.188 7.443 -1.7878 0.7172 0.3941 2643SOL H224057 0.976 1.271 7.334 0.9452 0.1572 -1.7582 2644SOL OH224058 2.653 3.201 7.873 0.0254 0.5234 0.3691 2644SOL H124059 2.631 3.282 7.826 -2.6047 -0.3552 -0.0956 2644SOL H224060 2.677 3.230 7.961 -2.9524 1.8060 0.8910 2645SOL OH224061 4.802 5.238 7.070 0.0806 -0.4206 -0.0468 2645SOL H124062 4.807 5.299 6.996 -0.3035 -1.1762 -0.7052 2645SOL H224063 4.829 5.290 7.145 1.1648 0.1774 -0.8225 2646SOL OH224064 1.175 3.943 0.693 0.2709 -0.1601 0.2604 2646SOL H124065 1.145 3.869 0.746 -2.4444 -1.0408 -2.2586 2646SOL H224066 1.267 3.955 0.720 -0.1983 -2.0844 3.2635 2647SOL OH224067 3.601 2.401 7.579 -0.2576 0.6084 0.4592 2647SOL H124068 3.625 2.355 7.659 2.5444 0.5313 -0.3157 2647SOL H224069 3.607 2.494 7.602 1.7504 0.6137 0.1216 2648SOL OH224070 2.142 1.763 2.381 -0.1292 -0.0572 0.3385 2648SOL H124071 2.137 1.808 2.465 -1.6773 0.1155 0.1779 2648SOL H224072 2.205 1.814 2.330 -1.9006 2.0436 0.1337 2649SOL OH224073 2.337 0.666 7.015 -0.4332 0.1028 0.4362 2649SOL H124074 2.308 0.575 7.023 -0.3098 0.1164 1.1185 2649SOL H224075 2.282 0.714 7.077 -0.7471 0.5552 -0.1911 2650SOL OH224076 5.274 4.976 2.036 -0.6146 -0.0277 0.6513 2650SOL H124077 5.311 5.048 1.985 -1.3557 0.1302 0.3191 2650SOL H224078 5.332 4.902 2.020 1.2893 0.9686 2.5366 2651SOL OH224079 1.488 2.783 0.935 -0.1514 0.1530 -0.2848 2651SOL H124080 1.551 2.854 0.940 1.0282 -0.9292 1.2869 2651SOL H224081 1.519 2.729 0.862 -0.7864 0.9596 -1.1813 2652SOL OH224082 1.875 0.562 1.318 0.1806 -0.4963 0.2142 2652SOL H124083 1.863 0.565 1.223 0.9323 -0.6828 0.1003 2652SOL H224084 1.795 0.600 1.354 -1.1770 -2.5427 -0.4281 2653SOL OH224085 0.486 5.701 7.855 -0.2607 -0.1570 -0.1250 2653SOL H124086 0.451 5.780 7.898 -1.6729 -0.5176 -0.5434 2653SOL H224087 0.491 5.636 7.926 2.3601 0.6811 0.5605 2654SOL OH224088 1.436 3.245 0.264 0.2224 -0.2063 -0.0970 2654SOL H124089 1.387 3.327 0.252 0.7989 0.2054 0.2875 2654SOL H224090 1.523 3.264 0.229 0.2073 -0.8298 -0.4839 2655SOL OH224091 1.004 0.473 7.346 -0.4042 -0.6019 -0.1122 2655SOL H124092 1.026 0.406 7.410 0.6221 -0.9008 -0.7491 2655SOL H224093 0.942 0.431 7.287 0.0838 -0.9403 -0.3941 2656SOL OH224094 3.700 5.463 0.945 0.1853 -0.0163 -0.5105 2656SOL H124095 3.724 5.431 1.032 0.9011 -0.6399 -0.9387 2656SOL H224096 3.783 5.474 0.899 -0.2625 -0.8889 -1.5450 2657SOL OH224097 0.950 0.077 0.153 0.1898 0.5572 -0.3605 2657SOL H124098 0.955 0.152 0.094 -0.4340 1.0859 0.2462 2657SOL H224099 0.859 0.076 0.182 0.8147 1.1798 1.7433 2658SOL OH224100 4.523 5.538 0.256 0.0798 -0.1985 -0.6281 2658SOL H124101 4.544 5.628 0.282 -2.7366 0.7623 -1.3257 2658SOL H224102 4.528 5.488 0.338 0.4259 0.8596 0.0233 2659SOL OH224103 1.847 3.452 8.017 -0.1159 -0.0940 -0.1771 2659SOL H124104 1.828 3.530 8.071 0.9966 0.3938 -0.4648 2659SOL H224105 1.870 3.384 8.081 -0.6173 -0.0546 0.0514 2660SOL OH224106 3.247 3.834 1.813 0.5102 0.0302 0.2862 2660SOL H124107 3.176 3.775 1.835 0.7226 -0.2216 0.2963 2660SOL H224108 3.308 3.828 1.886 0.6626 0.0546 0.1630 2661SOL OH224109 0.748 4.658 6.836 0.2780 -0.5361 0.4833 2661SOL H124110 0.840 4.682 6.842 -0.0693 0.7806 0.7658 2661SOL H224111 0.711 4.679 6.922 -0.6112 0.4375 -0.1100 2662SOL OH224112 3.564 3.183 1.834 -0.3358 -0.0696 0.5955 2662SOL H124113 3.471 3.174 1.853 -0.8528 0.4796 -1.4799 2662SOL H224114 3.600 3.095 1.847 -2.0119 -1.3998 -2.6446 2663SOL OH224115 4.202 0.786 7.606 -0.0505 -0.0508 0.5713 2663SOL H124116 4.206 0.745 7.519 0.5617 0.5201 0.3216 2663SOL H224117 4.120 0.835 7.605 -0.8116 -1.2810 0.8878 2664SOL OH224118 2.298 4.605 1.836 0.0168 0.1454 0.6179 2664SOL H124119 2.390 4.580 1.849 -0.2147 -0.2506 1.6056 2664SOL H224120 2.279 4.664 1.909 -0.8917 -0.8570 1.2195 2665SOL OH224121 5.029 5.561 1.509 -0.5189 -0.0288 -0.4932 2665SOL H124122 4.945 5.555 1.555 0.1610 -1.5465 0.6598 2665SOL H224123 5.094 5.566 1.579 0.4035 0.3589 -1.3577 2666SOL OH224124 4.426 4.492 2.874 0.3720 -0.3759 0.1543 2666SOL H124125 4.357 4.444 2.920 0.8489 -0.1231 1.1762 2666SOL H224126 4.388 4.515 2.790 -1.0552 0.3922 0.9680 2667SOL OH224127 3.289 1.903 0.133 -0.3228 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-0.6791 3527SOL H226709 3.584 1.059 2.546 -0.1075 -0.6614 -0.1166 3528SOL OH226710 1.463 2.845 1.581 -0.2854 0.2088 -0.2973 3528SOL H126711 1.507 2.763 1.603 -1.7331 -0.5942 -0.2658 3528SOL H226712 1.487 2.862 1.490 -2.0379 -1.7144 -1.2043 3529SOL OH226713 1.025 4.649 7.530 0.2447 0.3518 0.1052 3529SOL H126714 1.108 4.667 7.575 -0.1820 0.5318 0.8345 3529SOL H226715 1.023 4.711 7.457 -0.1705 1.7388 1.2602 3530SOL OH226716 4.401 4.197 7.569 -0.1470 -0.5263 0.0560 3530SOL H126717 4.390 4.222 7.660 1.0554 0.3707 -0.0148 3530SOL H226718 4.473 4.251 7.538 0.9106 -2.3486 -0.8373 3531SOL OH226719 3.643 5.051 8.340 0.1073 0.2350 -0.2065 3531SOL H126720 3.720 5.009 8.302 0.1046 -1.0971 1.1865 3531SOL H226721 3.579 4.980 8.347 -1.0088 1.1704 -0.6778 3532SOL OH226722 1.873 2.564 6.578 -0.3655 -0.0058 0.0070 3532SOL H126723 1.889 2.485 6.629 -0.6338 -0.4987 -0.6640 3532SOL H226724 1.955 2.580 6.531 0.3352 1.1770 1.5256 3533SOL OH226725 0.526 2.650 1.641 0.5511 -0.1794 0.1135 3533SOL H126726 0.584 2.683 1.572 1.0403 -1.8759 -0.3468 3533SOL H226727 0.519 2.556 1.623 0.1673 -0.5598 2.0072 3534SOL OH226728 0.452 2.371 7.695 0.9329 0.0049 0.5343 3534SOL H126729 0.458 2.289 7.743 0.8410 -0.0083 0.5231 3534SOL H226730 0.432 2.345 7.605 0.3100 0.0620 0.6488 3535SOL OH226731 2.278 4.435 7.141 0.0201 -0.2942 -0.4108 3535SOL H126732 2.208 4.371 7.128 -0.3024 0.0687 -0.4792 3535SOL H226733 2.233 4.514 7.169 0.5603 -0.6360 1.5666 3536SOL OH226734 3.275 2.655 1.568 0.0154 -0.0114 0.6159 3536SOL H126735 3.345 2.675 1.506 0.4309 -0.9573 0.7606 3536SOL H226736 3.220 2.592 1.522 -1.4140 1.5407 0.0715 3537SOL OH226737 2.621 3.660 8.203 -0.2318 -0.2744 0.3524 3537SOL H126738 2.595 3.568 8.207 1.4983 -0.7667 1.3239 3537SOL H226739 2.641 3.684 8.293 0.4911 0.6887 -0.0407 3538SOL OH226740 2.731 3.391 7.353 0.3597 0.0570 -0.3913 3538SOL H126741 2.637 3.386 7.332 0.1249 -0.3963 0.6453 3538SOL H226742 2.761 3.472 7.312 -0.1772 -0.4504 -1.8456 3539SOL OH226743 1.102 0.197 7.288 0.2092 -0.6392 0.4115 3539SOL H126744 1.180 0.187 7.233 0.0620 0.0878 0.0546 3539SOL H226745 1.031 0.158 7.237 0.1848 -0.5126 0.3471 3540SOL OH226746 3.649 3.362 0.304 -0.4714 0.4115 -0.0867 3540SOL H126747 3.648 3.401 0.217 0.5534 0.6289 -0.0169 3540SOL H226748 3.674 3.433 0.363 1.1737 -0.2534 0.0734 3541SOL OH226749 4.126 0.334 0.785 -0.8877 0.1903 0.2153 3541SOL H126750 4.189 0.383 0.731 -1.1022 -0.4564 -0.6574 3541SOL H226751 4.179 0.299 0.857 -0.2022 -0.4352 -0.5681 3542SOL OH226752 0.110 5.027 0.919 -0.3216 -0.6490 0.1108 3542SOL H126753 0.102 5.041 0.825 1.4031 1.6539 0.2058 3542SOL H226754 0.034 5.071 0.957 1.1294 2.3339 -0.0837 3543SOL OH226755 0.338 2.116 0.455 0.5451 0.1384 0.4477 3543SOL H126756 0.265 2.172 0.428 -0.5300 -0.8141 1.2502 3543SOL H226757 0.416 2.169 0.440 -0.3882 1.6345 0.6446 3544SOL OH226758 2.882 0.264 1.292 0.6592 0.0655 0.0596 3544SOL H126759 2.929 0.346 1.306 -0.7488 0.5514 2.8258 3544SOL H226760 2.790 0.286 1.307 0.2159 -1.9448 0.7532 3545SOL OH226761 4.247 0.141 1.192 -0.0989 -0.0388 -0.0340 3545SOL H126762 4.300 0.064 1.211 -1.8616 -1.2292 0.2933 3545SOL H226763 4.193 0.153 1.271 0.1415 1.5527 -0.0781 3546SOL OH226764 5.267 0.098 1.264 0.1742 0.3176 0.3374 3546SOL H126765 5.303 0.014 1.234 -0.7802 0.0692 -0.1631 3546SOL H226766 5.257 0.088 1.358 -2.2023 -1.0732 0.0146 3547SOL OH226767 2.737 1.906 1.946 -0.1306 -0.5216 0.0061 3547SOL H126768 2.776 1.907 1.859 0.6176 -0.3002 0.3338 3547SOL H226769 2.791 1.844 1.996 -1.1257 -1.3748 0.0694 3548SOL OH226770 1.221 4.079 0.445 -0.2306 -0.1979 0.7076 3548SOL H126771 1.253 4.162 0.480 0.4266 0.1728 -0.6879 3548SOL H226772 1.174 4.038 0.518 -0.1158 1.1535 1.5707 3549SOL OH226773 1.817 3.537 1.587 0.4349 -0.3177 -0.6737 3549SOL H126774 1.760 3.490 1.528 1.2829 0.2961 -2.0288 3549SOL H226775 1.889 3.476 1.606 0.3885 -0.3579 -0.6267 3550SOL OH226776 4.635 1.290 2.302 -0.5500 -0.2946 -0.1799 3550SOL H126777 4.728 1.268 2.306 -0.6695 -0.6163 0.9955 3550SOL H226778 4.618 1.300 2.208 0.1886 -2.3620 -0.5965 3551SOL OH226779 3.268 1.389 0.310 0.6791 0.1222 0.2828 3551SOL H126780 3.270 1.478 0.275 1.0171 0.0676 0.1561 3551SOL H226781 3.305 1.335 0.240 0.0273 -0.1843 0.1701 3552SOL OH226782 5.444 1.853 0.397 0.1257 0.2820 -0.4727 3552SOL H126783 5.357 1.838 0.435 0.0408 -1.0419 -1.1094 3552SOL H226784 5.461 1.774 0.346 1.5931 0.6454 -0.5899 3553SOL OH226785 1.977 1.985 0.310 -0.1625 -0.0142 -0.2411 3553SOL H126786 2.030 1.956 0.236 0.2061 0.8612 -0.3334 3553SOL H226787 2.037 2.038 0.362 -0.1319 -1.3944 1.2109 3554SOL OH226788 0.971 4.854 2.541 -0.8869 -0.2488 0.4822 3554SOL H126789 1.004 4.796 2.610 -1.5579 1.1518 2.0569 3554SOL H226790 1.011 4.939 2.560 1.0764 -0.3496 -2.5008 3555SOL OH226791 2.405 2.191 1.887 0.3073 -1.0647 0.0292 3555SOL H126792 2.346 2.193 1.963 1.6959 1.4211 1.1796 3555SOL H226793 2.347 2.175 1.813 -1.5495 -0.6417 1.2997 3556SOL OH226794 3.141 0.420 1.592 0.2838 -0.1162 0.2395 3556SOL H126795 3.229 0.453 1.610 0.8282 0.0804 -2.3969 3556SOL H226796 3.156 0.333 1.555 -0.6896 -0.3785 0.4508 3557SOL OH226797 5.962 0.421 1.738 0.2703 -0.0524 0.0244 3557SOL H126798 5.999 0.408 1.825 0.5359 0.5060 0.0016 3557SOL H226799 5.921 0.507 1.742 0.0933 -0.1159 -0.3387 3558SOL OH226800 2.786 1.177 6.990 -0.3530 0.5339 0.1742 3558SOL H126801 2.848 1.175 7.063 -1.4161 2.4775 1.2081 3558SOL H226802 2.701 1.160 7.030 -0.7773 0.1893 -0.8483 3559SOL OH226803 4.657 2.089 2.785 0.1625 -0.3872 0.5558 3559SOL H126804 4.649 2.184 2.773 0.1625 -0.6140 -1.6050 3559SOL H226805 4.749 2.076 2.805 0.2846 0.0260 0.2890 3560SOL OH226806 0.370 0.865 1.745 0.1978 -0.2907 0.0010 3560SOL H126807 0.403 0.788 1.699 0.3654 0.0951 -0.5311 3560SOL H226808 0.401 0.854 1.835 -2.2700 -2.3484 0.6991 3561SOL OH226809 0.860 1.505 1.260 0.0985 -0.0942 -0.1068 3561SOL H126810 0.848 1.545 1.174 -2.4934 -1.2309 -0.3645 3561SOL H226811 0.953 1.521 1.281 0.2950 2.0250 -2.1316 3562SOL OH226812 4.696 3.310 1.213 0.0975 0.2340 -0.2456 3562SOL H126813 4.732 3.233 1.169 -0.7072 0.9396 -2.2751 3562SOL H226814 4.726 3.384 1.161 -1.4435 1.0704 -0.0082 3563SOL OH226815 4.914 3.395 0.712 -0.4297 -0.4873 -0.1829 3563SOL H126816 4.926 3.302 0.733 1.2330 -0.2558 -0.0167 3563SOL H226817 4.940 3.402 0.620 -0.9103 -0.2347 -0.3050 3564SOL OH226818 2.192 3.667 1.262 0.8189 -0.3668 0.3684 3564SOL H126819 2.188 3.576 1.292 1.3450 0.0072 1.6117 3564SOL H226820 2.240 3.713 1.330 -1.8588 1.4231 1.2169 3565SOL OH226821 5.440 5.928 8.307 0.2397 -1.4097 0.6032 3565SOL H126822 5.380 6.000 8.292 1.1678 -0.8590 -0.6772 3565SOL H226823 5.430 5.907 8.400 -0.5808 -0.1340 0.8309 3566SOL OH226824 3.905 5.778 8.113 -0.0254 0.0316 -0.6451 3566SOL H126825 3.954 5.695 8.117 1.2939 0.7880 -0.6673 3566SOL H226826 3.905 5.801 8.020 1.3116 1.0156 -0.4308 3567SOL OH226827 0.251 3.757 6.812 -0.1521 0.4986 0.2496 3567SOL H126828 0.195 3.835 6.808 -0.1562 0.4761 -0.2515 3567SOL H226829 0.198 3.689 6.770 -0.4448 0.0359 1.3426 3568SOL OH226830 1.349 4.771 8.268 0.0214 -0.1073 -0.0620 3568SOL H126831 1.286 4.828 8.312 1.8415 0.3304 2.1856 3568SOL H226832 1.372 4.817 8.188 -3.2334 -0.8069 -1.5632 3569SOL OH226833 2.555 2.777 1.895 -0.2153 -0.4027 -0.1003 3569SOL H126834 2.548 2.870 1.917 -2.5763 -0.6310 0.3441 3569SOL H226835 2.551 2.775 1.800 -0.4219 -0.0604 -0.1018 3570SOL OH226836 3.616 3.745 2.363 0.2169 -0.1852 0.3931 3570SOL H126837 3.537 3.799 2.371 0.7000 1.2697 -2.8629 3570SOL H226838 3.683 3.794 2.411 -0.3266 -0.1962 1.1782 3571SOL OH226839 1.541 2.905 1.309 0.1852 -0.1565 0.0358 3571SOL H126840 1.493 2.969 1.256 1.3457 1.6635 1.0842 3571SOL H226841 1.632 2.933 1.304 0.8990 -2.2900 -0.1811 3572SOL OH226842 5.273 2.507 1.097 0.4517 0.1197 0.3078 3572SOL H126843 5.323 2.584 1.126 2.1553 -1.0627 0.6626 3572SOL H226844 5.296 2.497 1.005 -1.5972 1.3441 -0.3987 3573SOL OH226845 5.734 5.536 2.513 0.0386 -0.5266 -0.5777 3573SOL H126846 5.707 5.470 2.450 0.5856 -0.6470 -0.6864 3573SOL H226847 5.692 5.617 2.483 1.6183 -0.2135 -2.0554 3574SOL OH226848 5.942 2.857 7.495 0.3283 0.0675 -0.4196 3574SOL H126849 6.020 2.816 7.534 -0.2816 -0.5499 0.1726 3574SOL H226850 5.973 2.942 7.464 1.6561 -0.8691 -1.7738 3575SOL OH226851 3.986 4.405 1.026 -0.2916 -0.4955 -0.5447 3575SOL H126852 4.077 4.376 1.027 -0.1114 -0.0248 -1.6493 3575SOL H226853 3.991 4.499 1.009 -0.9655 -0.3263 0.1242 3576SOL OH226854 3.687 2.572 1.764 0.4353 0.1140 -0.3172 3576SOL H126855 3.773 2.609 1.781 0.2975 -0.4037 1.7652 3576SOL H226856 3.634 2.597 1.840 0.0959 -3.5325 0.8228 3577SOL OH226857 1.754 3.699 1.827 0.2088 -0.5453 0.0852 3577SOL H126858 1.817 3.661 1.765 -0.7275 -0.7617 -0.7512 3577SOL H226859 1.782 3.667 1.912 0.7499 -1.3066 -0.3683 3578SOL OH226860 4.237 4.403 6.237 0.2440 0.2488 -0.4854 3578SOL H126861 4.223 4.350 6.159 0.2966 -0.0109 -0.3218 3578SOL H226862 4.187 4.359 6.305 2.0673 -0.8946 0.1882 3579SOL OH226863 4.520 4.339 6.951 -0.0836 0.3796 0.1738 3579SOL H126864 4.606 4.333 6.993 0.7788 -0.8077 -1.6100 3579SOL H226865 4.464 4.282 7.003 0.5288 0.2320 0.6854 3580SOL OH226866 1.172 3.290 7.658 -0.5884 0.0951 0.3371 3580SOL H126867 1.179 3.209 7.607 -0.7197 -0.1111 0.6405 3580SOL H226868 1.081 3.291 7.689 -0.2795 -0.2173 1.2773 3581SOL OH226869 5.958 4.247 8.149 0.4630 -0.2102 0.1006 3581SOL H126870 6.031 4.246 8.087 0.6645 -0.6812 0.3402 3581SOL H226871 5.993 4.205 8.228 -0.5478 -2.0053 -0.3410 3582SOL OH226872 1.110 3.186 6.777 -0.0573 -0.3538 0.0616 3582SOL H126873 1.190 3.136 6.792 0.4370 -0.0794 -1.4192 3582SOL H226874 1.106 3.195 6.681 -0.1619 2.3173 0.2336 3583SOL OH226875 1.382 2.539 2.749 -0.3601 0.2632 -0.1861 3583SOL H126876 1.329 2.515 2.674 -0.6564 -0.5176 0.2607 3583SOL H226877 1.472 2.530 2.719 -0.4772 0.3570 -0.5676 3584SOL OH226878 0.073 1.411 1.459 -0.4878 0.4828 0.5488 3584SOL H126879 0.005 1.346 1.474 -1.7779 1.6009 -0.3126 3584SOL H226880 0.051 1.452 1.375 2.1423 -0.2032 -0.5844 3585SOL OH226881 6.028 3.955 0.667 0.1995 -0.2262 0.6335 3585SOL H126882 6.044 3.911 0.751 -0.9577 0.6681 1.3673 3585SOL H226883 5.970 4.028 0.690 0.1199 0.2219 -0.9112 3586SOL OH226884 4.312 4.148 1.484 0.2302 0.1363 0.0355 3586SOL H126885 4.384 4.117 1.429 -1.1837 -1.2249 -1.1255 3586SOL H226886 4.355 4.191 1.557 2.2208 -0.3899 -0.7619 3587SOL OH226887 0.547 0.368 2.338 0.5850 -0.2622 -0.6498 3587SOL H126888 0.558 0.325 2.423 1.5065 -1.1483 -1.1903 3587SOL H226889 0.633 0.405 2.319 0.0454 1.0476 -0.6297 3588SOL OH226890 4.593 3.882 0.529 -0.7207 -0.1363 0.5806 3588SOL H126891 4.551 3.848 0.450 0.5066 0.2090 -0.2358 3588SOL H226892 4.627 3.805 0.574 0.6921 -0.1585 -0.4743 3589SOL OH226893 1.074 5.427 0.214 -0.4072 0.1306 -0.5090 3589SOL H126894 1.131 5.448 0.287 -0.6162 2.8345 -1.0074 3589SOL H226895 0.985 5.438 0.248 -0.5091 1.2516 -1.0879 3590SOL OH226896 3.440 2.310 2.194 -0.8761 -0.0450 -0.0982 3590SOL H126897 3.413 2.221 2.218 0.9576 -0.6045 -0.0101 3590SOL H226898 3.425 2.315 2.100 -0.6718 -0.5608 -0.1577 3591SOL OH226899 0.755 4.827 2.388 0.1094 0.0973 -0.3510 3591SOL H126900 0.688 4.829 2.456 -0.6348 1.6512 -1.0603 3591SOL H226901 0.838 4.837 2.435 -0.2711 -0.3065 0.4217 3592SOL OH226902 1.302 3.123 0.464 -0.0222 0.2312 0.0631 3592SOL H126903 1.355 3.059 0.511 -0.2071 0.4894 0.6430 3592SOL H226904 1.364 3.169 0.407 0.1479 -0.3066 -0.1852 3593SOL OH226905 3.305 1.781 1.084 0.3821 -0.0100 0.1632 3593SOL H126906 3.344 1.730 1.155 1.6656 2.6597 1.5284 3593SOL H226907 3.372 1.782 1.015 0.6862 0.4086 0.4555 3594SOL OH226908 1.205 4.340 7.358 0.3986 -0.2441 -0.5719 3594SOL H126909 1.268 4.276 7.325 0.7189 -0.5634 0.5828 3594SOL H226910 1.130 4.287 7.387 0.8608 -0.1893 0.8374 3595SOL OH226911 5.496 0.214 7.262 0.1651 0.8745 -0.4885 3595SOL H126912 5.438 0.216 7.187 0.6480 2.2083 -0.8583 3595SOL H226913 5.533 0.303 7.267 -1.3830 1.4964 2.5315 3596SOL OH226914 5.531 4.841 8.195 0.0373 0.5091 0.1716 3596SOL H126915 5.590 4.897 8.144 0.8438 0.2336 0.7710 3596SOL H226916 5.586 4.808 8.266 -0.1494 -1.8571 -0.7223 3597SOL OH226917 0.942 4.098 0.013 -0.2265 0.0888 -0.2404 3597SOL H126918 0.956 4.164 0.082 -0.5159 0.1630 -0.2523 3597SOL H226919 0.920 4.018 0.061 -1.0307 0.2889 -0.2613 3598SOL OH226920 5.166 1.772 1.069 -0.2158 -0.3403 -0.1222 3598SOL H126921 5.113 1.707 1.117 0.8635 -0.8653 0.3956 3598SOL H226922 5.195 1.725 0.991 -1.2557 0.2451 -0.8868 3599SOL OH226923 4.322 1.096 2.508 -0.7609 0.1166 -0.2449 3599SOL H126924 4.289 1.028 2.566 -0.9145 -0.8233 -1.3782 3599SOL H226925 4.253 1.108 2.443 -0.9271 1.7057 0.1801 3600SOL OH226926 5.471 4.807 1.937 -0.2176 0.1591 0.4323 3600SOL H126927 5.458 4.870 1.866 0.0479 0.7146 0.8687 3600SOL H226928 5.553 4.762 1.913 -0.1415 0.3265 0.3757 3601SOL OH226929 2.459 3.387 7.314 -0.1200 0.2455 -0.0593 3601SOL H126930 2.430 3.429 7.233 -1.2015 -0.0904 0.1360 3601SOL H226931 2.389 3.407 7.377 -1.1874 -2.5868 -0.2011 3602SOL OH226932 0.839 4.950 7.112 0.1694 -0.4968 0.6616 3602SOL H126933 0.816 4.998 7.032 -0.3071 -1.7828 -0.0024 3602SOL H226934 0.862 5.018 7.175 1.4820 0.5288 -0.8426 3603SOL OH226935 2.590 4.924 1.736 0.7116 -0.1695 -0.3010 3603SOL H126936 2.558 4.908 1.825 0.9370 -1.7588 -0.4881 3603SOL H226937 2.638 5.006 1.743 -0.1675 0.2779 0.8064 3604SOL OH226938 1.842 0.654 2.034 0.2801 0.0934 -0.0316 3604SOL H126939 1.754 0.626 2.006 0.8931 -1.1201 -0.8299 3604SOL H226940 1.899 0.629 1.962 1.6321 -1.2835 1.4489 3605SOL OH226941 1.923 5.517 6.978 0.3038 -0.0725 0.0477 3605SOL H126942 1.845 5.512 6.922 0.7616 -1.0015 -0.5319 3605SOL H226943 1.907 5.452 7.046 -0.0220 0.6911 0.7027 3606SOL OH226944 0.977 3.424 7.337 -0.1249 0.9010 0.3175 3606SOL H126945 0.975 3.356 7.269 1.2944 0.9954 0.1485 3606SOL H226946 0.989 3.376 7.419 -1.9723 0.7769 0.5713 3607SOL OH226947 2.129 4.837 7.791 0.2420 -0.4597 0.9421 3607SOL H126948 2.080 4.758 7.767 0.1097 0.2885 -1.4866 3607SOL H226949 2.185 4.809 7.864 -0.8313 -2.4032 1.0916 3608SOL OH226950 4.049 1.360 0.315 0.4745 0.1756 0.5598 3608SOL H126951 4.108 1.285 0.305 0.2237 0.1701 -1.0183 3608SOL H226952 4.084 1.407 0.390 2.8455 0.4549 -0.6342 3609SOL OH226953 4.570 5.562 8.030 -0.4916 -0.0317 0.2926 3609SOL H126954 4.523 5.483 8.058 0.4569 -0.5018 0.6105 3609SOL H226955 4.526 5.634 8.075 -0.3552 -0.5555 1.2952 3610SOL OH226956 0.130 0.451 7.993 -0.7793 0.2802 0.3397 3610SOL H126957 0.061 0.508 7.960 -1.7027 1.0296 3.2438 3610SOL H226958 0.171 0.501 8.063 2.8901 -0.1070 -1.3181 3611SOL OH226959 4.882 4.140 8.066 0.1240 -0.0277 -0.1102 3611SOL H126960 4.857 4.124 8.157 1.6564 0.5951 0.4539 3611SOL H226961 4.873 4.054 8.023 -0.9570 -0.2486 0.5205 3612SOL OH226962 1.558 3.679 0.802 0.2139 -0.0153 0.3381 3612SOL H126963 1.546 3.584 0.796 -3.0795 0.2061 1.2270 3612SOL H226964 1.577 3.695 0.894 -2.2720 0.3089 0.8672 3613SOL OH226965 0.214 2.534 1.632 -0.9021 0.6779 -0.4946 3613SOL H126966 0.279 2.514 1.565 0.5677 0.3956 0.9547 3613SOL H226967 0.145 2.581 1.585 0.0045 0.3861 -2.2104 3614SOL OH226968 0.089 3.193 1.580 -0.5211 0.2380 -0.3021 3614SOL H126969 0.097 3.207 1.675 2.1458 -1.3545 -0.1883 3614SOL H226970 0.105 3.279 1.542 -0.0796 0.5996 0.6625 3615SOL OH226971 3.487 2.940 1.439 -0.4328 0.4518 -0.1849 3615SOL H126972 3.577 2.971 1.425 0.1927 -0.8464 0.7735 3615SOL H226973 3.482 2.922 1.533 -1.1721 -0.9915 -0.4688 3616SOL OH226974 1.351 3.478 8.065 -0.3881 -0.3440 -0.2786 3616SOL H126975 1.323 3.553 8.012 0.7821 -0.8229 -1.6346 3616SOL H226976 1.335 3.402 8.009 0.8825 -0.8718 0.0336 3617SOL OH226977 4.123 1.580 1.735 -0.0024 -0.0459 0.2784 3617SOL H126978 4.055 1.513 1.734 -0.9788 0.8933 0.8566 3617SOL H226979 4.203 1.534 1.709 -0.9552 -1.0622 -0.9596 3618SOL OH226980 3.076 3.222 0.461 -0.0638 0.2958 0.4673 3618SOL H126981 3.117 3.238 0.546 0.3833 1.3681 0.0718 3618SOL H226982 2.985 3.248 0.473 0.1855 1.2332 0.4084 3619SOL OH226983 3.929 3.226 7.338 0.0727 0.5347 -0.1326 3619SOL H126984 3.957 3.284 7.268 0.6442 -0.3431 -0.6545 3619SOL H226985 4.010 3.188 7.372 -0.3513 -1.0725 -0.8168 3620SOL OH226986 0.813 5.661 1.909 -0.3903 -0.8357 -0.4150 3620SOL H126987 0.831 5.726 1.977 -0.9517 -1.9952 0.8963 3620SOL H226988 0.841 5.578 1.947 -0.7202 -1.5257 -1.6074 3621SOL OH226989 1.133 5.732 7.561 -0.1286 -0.1379 -0.0339 3621SOL H126990 1.121 5.665 7.493 1.1592 0.1982 -0.6209 3621SOL H226991 1.102 5.690 7.642 1.1421 -1.6643 -0.2865 3622SOL OH226992 5.940 4.814 0.085 -0.1227 -0.0332 0.0220 3622SOL H126993 6.012 4.771 0.039 -1.3073 -0.4504 -1.5539 3622SOL H226994 5.982 4.882 0.138 1.4866 -0.8461 -0.1428 3623SOL OH226995 0.045 3.447 7.569 0.0496 0.2501 -0.2529 3623SOL H126996 -0.024 3.388 7.598 1.1629 -0.9616 -0.0124 3623SOL H226997 0.009 3.489 7.491 -1.7931 1.2900 1.0796 3624SOL OH226998 1.100 0.836 2.258 -0.3338 0.2555 0.0056 3624SOL H126999 1.112 0.759 2.201 0.7823 -0.2227 0.8467 3624SOL H227000 1.158 0.819 2.332 -2.1967 0.5690 1.6056 3625SOL OH227001 4.549 4.557 1.591 0.3286 0.1686 -0.0294 3625SOL H127002 4.560 4.579 1.684 1.0971 -1.4970 0.3317 3625SOL H227003 4.613 4.612 1.546 -0.7251 1.7004 0.2925 3626SOL OH227004 3.462 4.051 1.485 0.2443 -0.3044 -0.2140 3626SOL H127005 3.413 4.123 1.445 -0.0557 -0.8078 -0.7949 3626SOL H227006 3.394 3.989 1.512 0.3854 0.3361 1.7859 3627SOL OH227007 4.761 2.808 6.000 -0.2606 0.1073 -0.0207 3627SOL H127008 4.737 2.754 6.075 -0.7415 1.4482 0.8306 3627SOL H227009 4.801 2.886 6.038 0.5031 0.3224 -1.2190 3628SOL OH227010 1.976 4.003 1.749 0.1582 -0.2137 0.1527 3628SOL H127011 1.952 3.929 1.693 -1.1962 -0.0332 0.4652 3628SOL H227012 1.934 4.079 1.708 0.8591 0.2507 0.2825 3629SOL OH227013 1.855 2.610 0.173 0.0432 -0.7088 -0.2771 3629SOL H127014 1.906 2.563 0.108 0.1331 -0.6239 -0.2668 3629SOL H227015 1.778 2.641 0.126 -0.0022 -0.8425 -0.2908 3630SOL OH227016 2.021 3.161 7.016 0.6774 0.2909 -0.1235 3630SOL H127017 1.996 3.114 6.936 1.3979 -0.4447 0.0658 3630SOL H227018 2.109 3.129 7.036 1.4293 2.1592 -0.2900 3631SOL OH227019 5.255 0.195 0.584 0.3522 -0.0302 -0.8781 3631SOL H127020 5.265 0.229 0.673 0.9325 -2.1339 -0.0868 3631SOL H227021 5.178 0.240 0.550 -0.6759 -0.1038 1.1716 3632SOL OH227022 0.794 2.958 8.160 -0.0753 -0.1875 -0.2444 3632SOL H127023 0.831 3.038 8.197 -0.3768 0.6909 -1.7910 3632SOL H227024 0.701 2.976 8.151 0.0855 -0.1465 -1.9912 3633SOL OH227025 4.009 1.638 2.047 0.2784 -0.0835 -0.1389 3633SOL H127026 3.969 1.551 2.046 0.1130 -0.0103 -0.7138 3633SOL H227027 4.083 1.630 2.107 0.0886 -0.5380 0.0419 3634SOL OH227028 0.044 5.008 7.778 -0.5430 -0.0321 0.0020 3634SOL H127029 0.079 5.059 7.850 -1.0247 -0.3139 0.4423 3634SOL H227030 0.091 4.925 7.781 0.6738 0.5791 -1.0862 3635SOL OH227031 0.969 0.465 7.869 -0.1470 0.0336 0.1895 3635SOL H127032 0.900 0.519 7.906 -0.0007 0.6802 -0.4615 3635SOL H227033 0.925 0.386 7.840 -0.3072 -0.3775 1.4694 3636SOL OH227034 2.219 2.818 2.128 -0.3061 -0.0203 0.1171 3636SOL H127035 2.251 2.777 2.208 1.1890 0.1379 -0.3654 3636SOL H227036 2.124 2.822 2.139 -0.0310 1.9688 2.8455 3637SOL OH227037 0.223 3.967 8.239 0.1918 0.2108 0.1812 3637SOL H127038 0.290 4.032 8.216 0.3891 0.1254 0.5114 3637SOL H227039 0.273 3.891 8.267 -0.0361 -0.2495 -0.6448 3638SOL OH227040 4.240 5.033 0.635 0.1986 -0.0167 -0.4278 3638SOL H127041 4.195 4.976 0.573 0.6139 -0.6727 -0.1355 3638SOL H227042 4.280 5.101 0.580 -0.5944 0.1991 -0.7434 3639SOL OH227043 4.802 3.568 2.179 0.1543 0.4557 0.2708 3639SOL H127044 4.844 3.622 2.246 -0.0053 -2.4794 2.9485 3639SOL H227045 4.727 3.528 2.223 -0.0536 -1.5271 -1.7038 3640SOL OH227046 2.163 0.668 1.933 0.0105 0.2435 0.1725 3640SOL H127047 2.155 0.744 1.991 1.2286 0.7109 -0.2521 3640SOL H227048 2.256 0.661 1.914 -0.3048 -0.1779 -1.3784 3641SOL OH227049 0.722 3.299 6.493 0.2117 -0.2698 0.7030 3641SOL H127050 0.694 3.227 6.435 1.5003 1.4376 -2.2774 3641SOL H227051 0.816 3.305 6.480 0.2012 1.6681 1.2140 3642SOL OH227052 0.624 1.481 1.402 0.5660 -0.3295 -0.4074 3642SOL H127053 0.709 1.501 1.362 0.1297 1.4417 -0.5138 3642SOL H227054 0.643 1.409 1.462 2.0902 -0.1761 -0.6631 3643SOL OH227055 2.096 0.976 6.874 -0.3544 0.1652 -0.3207 3643SOL H127056 2.110 1.059 6.828 -0.0727 0.2313 -0.1233 3643SOL H227057 2.021 0.993 6.931 0.1092 0.4957 0.2013 3644SOL OH227058 2.779 0.614 1.623 -0.1591 0.0318 0.2028 3644SOL H127059 2.850 0.576 1.674 0.6293 -0.0198 -0.8965 3644SOL H227060 2.814 0.698 1.591 -1.2996 0.9539 1.2512 3645SOL OH227061 5.102 1.093 7.905 0.0013 -0.4895 -0.0402 3645SOL H127062 5.190 1.080 7.939 0.1170 -2.6382 -0.9836 3645SOL H227063 5.092 1.188 7.900 1.3275 -0.1465 2.3434 3646SOL OH227064 0.412 1.452 7.119 0.3054 0.5975 0.4244 3646SOL H127065 0.437 1.521 7.181 0.3622 0.2456 0.7993 3646SOL H227066 0.357 1.392 7.170 -0.1239 0.6074 -0.0195 3647SOL OH227067 0.067 2.117 7.843 0.6843 0.3279 -0.5085 3647SOL H127068 -0.015 2.067 7.834 0.6059 0.3186 0.1687 3647SOL H227069 0.072 2.138 7.937 0.8661 1.3496 -0.7356 3648SOL OH227070 4.201 2.134 8.056 0.1372 0.2264 0.3854 3648SOL H127071 4.211 2.042 8.035 0.3829 0.2866 0.2301 3648SOL H227072 4.284 2.160 8.095 -0.0277 0.3161 0.6872 3649SOL OH227073 3.320 4.560 0.730 -0.0586 -0.8536 0.0866 3649SOL H127074 3.407 4.596 0.746 -0.2838 -0.4022 0.3291 3649SOL H227075 3.323 4.472 0.768 1.1265 -1.9103 -2.2840 3650SOL OH227076 3.947 3.859 8.247 -0.0254 -0.0265 0.1443 3650SOL H127077 3.940 3.830 8.337 -1.1207 1.0454 0.4301 3650SOL H227078 4.039 3.886 8.237 -0.2313 1.2846 1.4265 3651SOL OH227079 1.007 4.718 6.871 -0.0403 0.1054 -0.1161 3651SOL H127080 1.079 4.691 6.814 -0.2431 2.0513 -1.3909 3651SOL H227081 1.004 4.813 6.862 -3.0119 0.0776 -0.4291 3652SOL OH227082 1.720 5.124 0.385 -0.2551 -0.0084 -0.0834 3652SOL H127083 1.789 5.188 0.369 0.9092 -0.8822 1.1794 3652SOL H227084 1.741 5.087 0.470 -1.8297 -0.9048 -0.0490 3653SOL OH227085 3.490 0.054 7.034 0.5263 0.2726 -0.5557 3653SOL H127086 3.485 0.149 7.033 -0.9242 0.2225 -0.4530 3653SOL H227087 3.435 0.026 6.961 -0.8758 -0.4999 0.7234 3654SOL OH227088 1.044 4.560 8.062 -1.0639 0.1063 -0.1968 3654SOL H127089 1.079 4.475 8.035 -0.0814 0.7629 -1.0759 3654SOL H227090 0.951 4.555 8.042 -0.8029 -0.3396 -1.3923 3655SOL OH227091 3.578 5.622 6.879 -0.3358 0.1550 0.0210 3655SOL H127092 3.610 5.640 6.790 -0.5471 1.2912 0.1582 3655SOL H227093 3.544 5.532 6.874 -0.9430 0.4251 -1.2334 3656SOL OH227094 2.578 1.594 7.092 -0.3270 0.1546 -0.6642 3656SOL H127095 2.596 1.587 7.186 0.9199 2.3199 -0.6757 3656SOL H227096 2.551 1.685 7.080 -0.2564 -0.0317 -2.4293 3657SOL OH227097 2.466 1.026 0.988 0.0687 -0.5258 0.4014 3657SOL H127098 2.451 1.086 0.915 -0.5786 -0.1925 0.7961 3657SOL H227099 2.537 0.969 0.958 0.2307 -0.0031 -0.2459 3658SOL OH227100 4.545 5.374 0.468 0.0516 -0.6326 0.2067 3658SOL H127101 4.625 5.331 0.436 0.3542 -0.1828 0.3485 3658SOL H227102 4.481 5.303 0.474 0.1494 -0.8306 -0.8454 3659SOL OH227103 1.797 2.272 7.383 0.0909 0.0668 -0.0317 3659SOL H127104 1.872 2.215 7.397 0.3728 0.5896 0.6406 3659SOL H227105 1.832 2.348 7.336 0.0569 0.4782 0.6021 3660SOL OH227106 2.624 2.155 2.035 -0.2877 -0.1782 0.1449 3660SOL H127107 2.677 2.083 2.000 0.5433 -0.1786 1.3493 3660SOL H227108 2.546 2.157 1.979 0.4802 -0.8784 -0.9966 3661SOL OH227109 1.323 3.299 0.677 -0.0690 0.1044 -0.1379 3661SOL H127110 1.283 3.224 0.633 -0.6666 0.1071 0.3738 3661SOL H227111 1.261 3.371 0.662 1.0821 0.8155 -1.6491 3662SOL OH227112 5.136 0.697 1.082 0.3660 -0.1134 0.0214 3662SOL H127113 5.213 0.655 1.043 0.9665 -0.8375 1.8698 3662SOL H227114 5.164 0.787 1.098 -0.5534 0.7956 -2.9261 3663SOL OH227115 0.543 4.728 2.227 0.3092 -0.1041 0.8056 3663SOL H127116 0.622 4.763 2.269 1.2180 -1.1391 0.0343 3663SOL H227117 0.471 4.754 2.284 1.4401 -1.0426 2.7644 3664SOL OH227118 2.752 2.949 6.910 -0.0272 0.4524 0.3857 3664SOL H127119 2.814 2.911 6.972 -1.3359 -2.2978 0.1812 3664SOL H227120 2.780 3.040 6.900 2.7313 -0.1382 1.7747 3665SOL OH227121 5.408 2.548 0.625 0.4993 0.8701 0.1725 3665SOL H127122 5.502 2.543 0.607 0.6224 1.8966 0.4698 3665SOL H227123 5.380 2.629 0.583 -0.3593 0.3375 -0.3125 3666SOL OH227124 5.315 5.259 0.286 -0.0051 -0.6176 -0.4167 3666SOL H127125 5.272 5.305 0.358 2.7281 0.4810 0.6751 3666SOL H227126 5.318 5.323 0.215 -1.3748 -1.1883 -1.0141 3667SOL OH227127 1.361 0.423 7.439 -0.2648 0.4079 -0.3070 3667SOL H127128 1.451 0.405 7.465 0.2708 1.1050 -1.5810 3667SOL H227129 1.308 0.396 7.514 0.8262 -2.0459 -0.3225 3668SOL OH227130 2.382 1.424 7.013 0.5875 -0.0909 0.3018 3668SOL H127131 2.446 1.486 7.048 -0.6656 1.2541 0.3143 3668SOL H227132 2.399 1.423 6.919 1.3505 -0.6222 0.4380 3669SOL OH227133 5.516 5.450 6.831 -0.5891 -0.2804 0.6423 3669SOL H127134 5.497 5.388 6.902 0.2302 -0.5478 0.6350 3669SOL H227135 5.456 5.425 6.761 -3.3989 1.6710 2.1271 3670SOL OH227136 3.784 3.988 8.062 -0.0675 -0.5358 -0.1575 3670SOL H127137 3.849 3.932 8.105 0.2208 -0.2275 -0.1851 3670SOL H227138 3.704 3.975 8.113 0.1391 -0.5635 0.1647 3671SOL OH227139 3.396 3.939 0.947 0.3194 0.1149 0.0895 3671SOL H127140 3.468 3.992 0.981 -0.3423 -0.1498 2.0441 3671SOL H227141 3.388 3.868 1.010 -0.3053 -1.0429 -1.2456 3672SOL OH227142 1.157 2.634 8.318 0.2478 0.1274 0.3640 3672SOL H127143 1.109 2.594 8.246 -1.7047 2.7394 0.0758 3672SOL H227144 1.245 2.648 8.283 0.0723 -0.9937 -0.5667 3673SOL OH227145 4.001 1.283 7.227 0.0545 -0.0769 0.3839 3673SOL H127146 4.019 1.375 7.244 -1.9452 0.6278 -0.9642 3673SOL H227147 4.085 1.247 7.199 1.5176 0.6185 3.4821 3674SOL OH227148 2.237 4.107 1.726 0.0920 -0.2934 -0.4712 3674SOL H127149 2.263 4.172 1.792 2.2018 -0.7129 -0.8101 3674SOL H227150 2.146 4.086 1.747 -0.4761 2.2994 0.0145 3675SOL OH227151 5.085 2.027 1.813 0.3176 0.1765 0.6119 3675SOL H127152 5.077 2.117 1.846 1.1678 0.4362 0.1457 3675SOL H227153 5.178 2.006 1.825 0.4506 -0.0644 -0.7318 3676SOL OH227154 4.502 3.995 7.365 0.1356 -0.4305 -0.4758 3676SOL H127155 4.511 4.044 7.447 -0.3214 0.4493 -0.9397 3676SOL H227156 4.454 3.916 7.390 -1.5551 0.6341 -0.1594 3677SOL OH227157 1.380 3.065 3.139 -0.0185 0.3106 0.0835 3677SOL H127158 1.295 3.057 3.096 1.1179 2.8348 -3.0499 3677SOL H227159 1.415 3.149 3.107 3.4919 -0.4157 1.5486 3678SOL OH227160 4.722 2.289 1.049 0.2714 -0.4548 -0.0325 3678SOL H127161 4.636 2.248 1.061 0.0009 0.2086 0.4053 3678SOL H227162 4.703 2.375 1.011 0.8474 -0.8248 -1.1903 3679SOL OH227163 4.226 0.780 0.675 -0.4313 0.5941 0.5685 3679SOL H127164 4.263 0.854 0.627 -0.4784 0.2007 -0.0854 3679SOL H227165 4.159 0.818 0.732 -0.1113 1.1119 0.5935 3680SOL OH227166 5.192 3.800 0.044 0.0450 0.2831 0.7297 3680SOL H127167 5.206 3.779 0.136 -1.0485 3.0298 1.6187 3680SOL H227168 5.098 3.787 0.030 -0.4534 2.9715 1.0065 3681SOL OH227169 3.449 2.019 7.523 -0.1763 0.3044 0.0301 3681SOL H127170 3.529 2.038 7.474 -0.3160 -1.9536 -1.2179 3681SOL H227171 3.478 2.010 7.614 1.1432 -1.0788 -0.4836 3682SOL OH227172 3.278 2.015 7.886 -0.9057 0.7373 0.3422 3682SOL H127173 3.211 1.997 7.952 0.1277 1.2515 1.5880 3682SOL H227174 3.345 1.948 7.901 -0.1961 1.4618 0.5165 3683SOL OH227175 0.334 4.435 8.107 -0.2322 -0.5370 0.6936 3683SOL H127176 0.263 4.374 8.125 0.5724 -1.8208 -0.3111 3683SOL H227177 0.402 4.413 8.171 -0.1088 -0.4058 0.6090 3684SOL OH227178 4.717 0.693 6.888 -0.2370 0.0155 -0.0451 3684SOL H127179 4.724 0.653 6.975 0.1252 1.4481 0.6222 3684SOL H227180 4.641 0.652 6.848 -1.1232 0.1600 1.4246 3685SOL OH227181 5.682 0.859 0.608 0.0958 0.1035 -0.2332 3685SOL H127182 5.746 0.799 0.570 -0.9520 -2.3299 1.5395 3685SOL H227183 5.633 0.892 0.533 -0.2883 -2.5664 -1.2891 3686SOL OH227184 5.737 0.211 0.715 0.7671 -0.1785 0.2570 3686SOL H127185 5.683 0.282 0.750 1.2839 1.1131 -1.4200 3686SOL H227186 5.826 0.246 0.713 0.8492 -0.3600 -1.7342 3687SOL OH227187 0.126 4.947 8.233 -0.3022 -0.2433 0.8651 3687SOL H127188 0.185 4.872 8.244 -0.8902 -0.6484 1.3255 3687SOL H227189 0.062 4.918 8.168 1.2068 0.9569 -1.2906 3688SOL OH227190 1.307 0.991 2.622 -0.3061 0.1801 -0.1018 3688SOL H127191 1.230 0.999 2.679 -0.6541 -1.0512 -0.3919 3688SOL H227192 1.289 0.916 2.566 0.0830 1.2981 -1.7957 3689SOL OH227193 5.549 4.507 1.733 -0.1652 -0.2851 0.3983 3689SOL H127194 5.604 4.574 1.775 1.8562 -1.6782 0.1379 3689SOL H227195 5.461 4.524 1.767 0.4826 1.7580 1.2427 3690SOL OH227196 2.208 4.661 1.141 -0.2210 0.1158 -0.1155 3690SOL H127197 2.179 4.609 1.066 1.6335 -0.6155 -0.3768 3690SOL H227198 2.216 4.750 1.107 -2.6568 0.4944 0.1328 3691SOL OH227199 4.137 3.714 6.527 -0.1366 -0.2313 -0.2468 3691SOL H127200 4.102 3.784 6.472 1.7986 0.9433 -0.0722 3691SOL H227201 4.184 3.657 6.466 0.1975 -0.1190 -0.0957 3692SOL OH227202 3.612 5.079 0.950 -0.1231 -0.6873 0.0763 3692SOL H127203 3.624 5.017 0.878 -0.7541 -1.3906 0.5694 3692SOL H227204 3.528 5.056 0.988 -0.2008 0.2518 0.4965 3693SOL OH227205 5.039 1.913 1.321 0.1788 -0.1387 -0.3926 3693SOL H127206 5.052 1.998 1.363 -0.4874 0.6741 -1.7428 3693SOL H227207 4.949 1.916 1.290 0.0604 -1.4638 -0.2362 3694SOL OH227208 0.624 5.558 7.530 0.5785 0.1386 -0.2194 3694SOL H127209 0.544 5.603 7.557 0.7070 0.4219 -0.3121 3694SOL H227210 0.605 5.465 7.545 -0.1564 0.1094 -1.2320 3695SOL OH227211 2.145 0.103 0.110 0.1522 -0.0012 0.6251 3695SOL H127212 2.165 0.011 0.125 1.0473 0.2239 0.8959 3695SOL H227213 2.158 0.116 0.016 -3.7638 -1.0110 -0.2375 3696SOL OH227214 0.041 5.046 2.548 0.8463 -0.1458 0.3226 3696SOL H127215 -0.035 5.011 2.501 -0.3573 1.7857 0.7124 3696SOL H227216 0.116 5.012 2.500 -0.3035 1.0398 -2.5582 3697SOL OH227217 3.259 1.302 2.420 0.1041 0.2755 -0.3914 3697SOL H127218 3.233 1.211 2.427 0.9575 0.1467 2.3621 3697SOL H227219 3.239 1.340 2.506 -0.8610 2.8990 -1.6461 3698SOL OH227220 2.526 3.338 1.559 0.0330 0.0060 -0.2654 3698SOL H127221 2.549 3.317 1.649 0.9088 0.5761 -0.3386 3698SOL H227222 2.430 3.331 1.556 -0.1452 1.4048 1.0848 3699SOL OH227223 0.746 5.788 7.594 -0.1891 0.0491 -0.4399 3699SOL H127224 0.693 5.714 7.564 -0.2226 -0.1862 0.1824 3699SOL H227225 0.814 5.748 7.648 1.0594 0.2687 -1.7665 3700SOL OH227226 3.336 5.499 7.939 -0.1385 -0.3280 -0.5405 3700SOL H127227 3.406 5.497 8.004 0.1599 -2.8958 -0.8481 3700SOL H227228 3.281 5.424 7.961 -1.9398 0.7290 -1.2469 3701SOL OH227229 2.654 0.301 6.928 -0.4422 0.6823 -0.0017 3701SOL H127230 2.703 0.302 7.011 0.4670 0.9656 -0.5224 3701SOL H227231 2.649 0.394 6.902 -1.6548 0.7009 0.2598 3702SOL OH227232 4.812 3.119 1.071 -0.1089 0.2678 0.1746 3702SOL H127233 4.872 3.058 1.114 -0.5318 -0.3924 -0.1583 3702SOL H227234 4.734 3.067 1.053 -0.1524 0.6858 -0.8866 3703SOL OH227235 0.348 4.117 1.106 0.4540 -0.1242 0.2721 3703SOL H127236 0.429 4.069 1.087 -0.0636 -1.0868 0.4145 3703SOL H227237 0.284 4.081 1.045 -0.4000 -0.9385 1.5771 3704SOL OH227238 3.855 3.249 2.077 -0.7214 0.2059 -0.4829 3704SOL H127239 3.884 3.181 2.016 0.4353 -0.0510 0.3170 3704SOL H227240 3.769 3.275 2.045 -1.9946 -2.8375 0.1565 3705SOL OH227241 1.495 1.492 7.917 -0.0672 -0.2568 0.1738 3705SOL H127242 1.482 1.583 7.892 -0.2264 -0.5054 -0.6515 3705SOL H227243 1.415 1.468 7.964 -0.2711 -0.1544 -0.1243 3706SOL OH227244 0.060 1.500 7.171 0.0230 -0.0177 -0.0374 3706SOL H127245 0.083 1.547 7.091 -0.9536 -0.3692 -0.5498 3706SOL H227246 -0.030 1.528 7.190 0.3224 0.2248 1.0603 3707SOL OH227247 4.968 5.863 1.257 -0.5313 0.7484 0.5727 3707SOL H127248 5.018 5.782 1.272 -1.2229 0.2172 0.0829 3707SOL H227249 4.966 5.906 1.343 -0.3332 0.1477 0.8878 3708SOL OH227250 5.704 4.686 1.857 0.0376 -0.0825 0.1685 3708SOL H127251 5.725 4.779 1.847 0.6555 -0.1649 0.6214 3708SOL H227252 5.789 4.643 1.868 -0.1721 -0.8375 -1.0392 3709SOL OH227253 1.697 4.836 1.238 0.4814 0.4946 -0.1501 3709SOL H127254 1.779 4.860 1.196 -0.3525 1.4334 -1.3166 3709SOL H227255 1.712 4.853 1.331 1.7976 0.0285 -0.2543 3710SOL OH227256 1.533 0.937 6.992 0.2245 0.2524 -0.1309 3710SOL H127257 1.471 1.005 7.015 -0.1829 -0.4340 0.8832 3710SOL H227258 1.481 0.872 6.945 0.8196 1.0987 -2.0240 3711SOL OH227259 5.864 1.099 7.770 -0.8520 0.0490 -0.5375 3711SOL H127260 5.823 1.179 7.804 0.0502 0.6526 -0.8052 3711SOL H227261 5.815 1.078 7.691 -2.0769 -0.5646 0.3534 3712SOL OH227262 0.355 2.050 0.087 -0.2886 -0.2147 0.0025 3712SOL H127263 0.420 2.120 0.096 2.7800 -2.9442 1.3254 3712SOL H227264 0.359 2.025 -0.005 -0.1957 0.2885 -0.1318 3713SOL OH227265 3.224 5.778 0.589 0.0932 -0.5666 0.8135 3713SOL H127266 3.295 5.731 0.633 1.0739 -0.4012 -0.5339 3713SOL H227267 3.155 5.712 0.579 0.4843 -1.0380 1.1432 3714SOL OH227268 2.007 1.266 2.003 0.5183 0.2306 -0.3371 3714SOL H127269 1.999 1.334 1.936 -0.6783 0.1941 -0.2443 3714SOL H227270 2.072 1.205 1.967 -0.1671 0.1643 -1.5151 3715SOL OH227271 2.693 2.710 8.192 0.1950 -0.3220 -0.5581 3715SOL H127272 2.672 2.738 8.281 -2.4846 0.1867 -1.2756 3715SOL H227273 2.769 2.763 8.167 0.1261 0.5058 0.9243 3716SOL OH227274 2.783 0.800 2.138 0.3556 -0.2483 0.2777 3716SOL H127275 2.784 0.713 2.099 1.4531 0.1898 -0.7278 3716SOL H227276 2.807 0.859 2.067 1.6665 0.6617 1.4213 3717SOL OH227277 1.219 5.547 1.115 -0.2926 0.2831 0.4023 3717SOL H127278 1.226 5.486 1.041 -0.0464 -0.3843 0.9669 3717SOL H227279 1.270 5.507 1.185 0.4348 1.4734 0.5865 3718SOL OH227280 2.356 0.873 6.831 0.1938 0.5330 0.7365 3718SOL H127281 2.280 0.927 6.851 -0.4823 0.7506 -2.0808 3718SOL H227282 2.361 0.811 6.904 -3.0100 0.1665 0.7834 3719SOL OH227283 0.379 4.285 7.267 0.7815 0.1370 -0.3898 3719SOL H127284 0.330 4.294 7.185 0.9204 2.3141 -0.3040 3719SOL H227285 0.352 4.201 7.302 0.5582 -0.7636 -2.5584 3720SOL OH227286 3.855 5.446 1.177 -0.5704 0.1121 0.2465 3720SOL H127287 3.927 5.505 1.155 1.1760 -1.7059 0.8433 3720SOL H227288 3.877 5.412 1.264 -1.8298 -0.9569 0.1788 3721SOL OH227289 2.567 3.015 7.117 0.2603 -0.0070 -0.1880 3721SOL H127290 2.643 3.004 7.175 0.4934 0.1778 -0.4531 3721SOL H227291 2.604 3.010 7.029 0.0609 0.6857 -0.3163 3722SOL OH227292 3.903 2.092 1.743 -0.1612 0.3884 -0.1834 3722SOL H127293 3.884 2.054 1.829 -0.1798 1.4343 0.2898 3722SOL H227294 3.825 2.143 1.722 -0.2330 -0.0166 -0.9196 3723SOL OH227295 3.742 4.265 2.339 0.1058 0.0621 -0.4234 3723SOL H127296 3.793 4.336 2.301 -0.5485 0.2638 -0.9548 3723SOL H227297 3.678 4.309 2.395 0.6852 -0.2028 0.4696 3724SOL OH227298 4.310 3.981 6.162 -0.1793 -0.6708 0.1234 3724SOL H127299 4.401 4.002 6.143 -0.7009 0.9353 -0.7645 3724SOL H227300 4.302 3.996 6.256 0.0081 1.1952 -0.1226 3725SOL OH227301 3.427 4.526 1.889 -0.3374 -0.3915 -0.0334 3725SOL H127302 3.344 4.574 1.888 0.1091 0.4952 1.7278 3725SOL H227303 3.426 4.474 1.808 -2.0513 0.5235 -0.6422 3726SOL OH227304 0.805 5.459 0.585 -0.5241 -0.2015 -0.1002 3726SOL H127305 0.745 5.392 0.620 -0.4212 -0.8075 -1.0458 3726SOL H227306 0.862 5.480 0.659 -1.7355 0.2101 0.7488 3727SOL OH227307 0.670 1.878 0.911 0.0805 -1.0130 -0.2186 3727SOL H127308 0.739 1.864 0.847 0.1293 0.0160 -0.3951 3727SOL H227309 0.687 1.965 0.947 -0.8146 -0.9640 0.1070 3728SOL OH227310 1.252 1.413 8.016 0.2764 0.0064 0.0505 3728SOL H127311 1.241 1.465 8.095 -0.6051 1.5468 -1.0411 3728SOL H227312 1.165 1.377 7.998 0.1605 0.7113 -0.8947 3729SOL OH227313 4.860 5.437 6.859 0.5591 -0.2757 0.4621 3729SOL H127314 4.795 5.485 6.910 0.1764 -0.7857 0.4711 3729SOL H227315 4.815 5.417 6.776 1.5362 1.4964 -0.5551 3730SOL OH227316 2.679 0.108 8.263 0.0013 -0.6292 0.1476 3730SOL H127317 2.741 0.040 8.288 0.6510 -0.3377 -0.6351 3730SOL H227318 2.636 0.073 8.185 0.6079 0.0020 -0.4846 3731SOL OH227319 4.435 3.810 0.312 -0.0852 -1.0036 0.4217 3731SOL H127320 4.393 3.724 0.320 -0.4778 -0.7903 0.6875 3731SOL H227321 4.364 3.870 0.290 0.1716 -0.7293 0.3339 3732SOL OH227322 3.955 1.809 2.608 -0.5692 0.3658 0.3554 3732SOL H127323 4.050 1.801 2.595 -0.3978 0.4148 1.4806 3732SOL H227324 3.929 1.883 2.553 -0.4928 -1.4515 -2.3505 3733SOL OH227325 1.140 3.595 6.896 -0.2849 0.3150 0.0431 3733SOL H127326 1.098 3.631 6.818 1.3991 0.5190 -0.8132 3733SOL H227327 1.110 3.504 6.900 0.4346 -0.0101 -1.4708 3734SOL OH227328 2.205 0.739 6.485 0.1326 0.2081 -0.1037 3734SOL H127329 2.295 0.758 6.458 0.8023 -1.5503 0.7595 3734SOL H227330 2.174 0.673 6.423 -1.4423 2.4197 -1.8261 3735SOL OH227331 0.793 1.032 1.303 -0.3013 -0.2153 0.2517 3735SOL H127332 0.709 1.017 1.346 0.4719 -0.6472 1.6877 3735SOL H227333 0.780 1.004 1.213 -1.3927 -1.2846 0.7204 3736SOL OH227334 0.656 2.367 2.006 -0.6449 0.0969 0.4147 3736SOL H127335 0.615 2.400 2.086 -0.2569 -1.6802 1.4107 3736SOL H227336 0.586 2.363 1.942 -1.3248 0.0535 1.1495 3737SOL OH227337 5.947 5.698 0.713 0.7441 0.0045 0.3861 3737SOL H127338 5.976 5.660 0.796 -0.6622 -0.0633 0.8682 3737SOL H227339 5.959 5.792 0.724 1.1520 -0.0521 0.4289 3738SOL OH227340 5.724 3.737 1.411 0.5782 0.0092 -0.6242 3738SOL H127341 5.730 3.799 1.339 -2.5495 1.3844 0.1138 3738SOL H227342 5.680 3.661 1.374 0.0233 0.2394 -0.4452 3739SOL OH227343 3.796 5.359 7.505 0.6630 -0.3544 0.1237 3739SOL H127344 3.871 5.414 7.527 0.1454 -0.1419 1.5082 3739SOL H227345 3.725 5.420 7.487 0.5380 -0.5501 -0.0520 3740SOL OH227346 3.089 0.344 0.713 -0.5989 -0.6287 -0.2936 3740SOL H127347 3.027 0.369 0.645 0.3621 0.9041 -0.6407 3740SOL H227348 3.060 0.392 0.791 0.1665 0.1221 -0.4675 3741SOL OH227349 3.052 4.064 7.013 0.3852 -0.0743 -0.2650 3741SOL H127350 3.098 3.988 6.977 -0.4777 -0.0638 -1.4551 3741SOL H227351 3.024 4.114 6.936 2.5355 2.4875 0.4848 3742SOL OH227352 0.218 1.845 7.421 0.2584 0.1965 -0.1499 3742SOL H127353 0.229 1.891 7.337 0.0664 -1.0275 -0.8737 3742SOL H227354 0.125 1.825 7.425 0.4534 -0.7497 -0.1917 3743SOL OH227355 3.565 0.901 7.697 0.0093 0.2420 -0.0645 3743SOL H127356 3.496 0.851 7.742 0.9412 -0.9898 0.0539 3743SOL H227357 3.526 0.987 7.682 -0.5333 0.5540 2.6461 3744SOL OH227358 5.061 5.620 2.156 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3750SOL OH227376 1.821 2.533 7.224 -0.4929 0.2914 0.3324 3750SOL H127377 1.882 2.532 7.150 0.0571 -0.1322 0.7824 3750SOL H227378 1.758 2.602 7.203 -1.3171 -0.8984 -1.3009 3751SOL OH227379 4.328 5.214 0.424 0.8829 -0.3903 -0.3145 3751SOL H127380 4.349 5.132 0.378 1.7140 -0.9684 1.0356 3751SOL H227381 4.271 5.261 0.363 -2.0362 -3.2085 -0.0363 3752SOL OH227382 2.519 3.678 6.891 0.0139 0.0420 0.0920 3752SOL H127383 2.513 3.719 6.977 0.5569 -0.6669 0.4772 3752SOL H227384 2.440 3.624 6.885 0.5456 -0.8306 0.6540 3753SOL OH227385 1.403 0.027 7.753 0.3823 0.5117 0.6148 3753SOL H127386 1.309 0.024 7.735 0.1155 1.8035 1.6273 3753SOL H227387 1.444 -0.003 7.672 -0.8443 2.2518 -0.7393 3754SOL OH227388 4.990 2.913 0.097 -0.0227 0.3531 0.0061 3754SOL H127389 4.949 2.826 0.093 0.5133 0.0577 0.7047 3754SOL H227390 4.954 2.960 0.021 -2.2320 0.3717 0.9937 3755SOL OH227391 5.449 3.455 2.314 0.0060 0.5060 -0.1872 3755SOL H127392 5.502 3.521 2.359 -1.1188 0.6042 1.0425 3755SOL H227393 5.393 3.419 2.382 0.3541 -1.5096 -0.9083 3756SOL OH227394 4.311 2.656 1.090 -0.1734 -0.7087 0.7994 3756SOL H127395 4.393 2.638 1.044 -1.2432 0.8980 -2.0105 3756SOL H227396 4.266 2.572 1.094 -0.1852 -0.8848 -1.5920 3757SOL OH227397 0.332 5.744 1.508 -0.1121 -0.0835 -0.0304 3757SOL H127398 0.383 5.665 1.489 0.0192 -0.0028 -0.0159 3757SOL H227399 0.397 5.814 1.509 -0.6367 0.6154 -3.6545 3758SOL OH227400 4.889 5.171 1.444 0.3019 -0.1298 0.1226 3758SOL H127401 4.962 5.230 1.424 1.2344 -1.0938 0.5871 3758SOL H227402 4.921 5.084 1.422 -1.2498 -0.4376 -1.0645 3759SOL OH227403 2.616 4.615 1.477 0.0124 1.1776 0.3969 3759SOL H127404 2.599 4.521 1.486 -1.1193 1.3325 0.0380 3759SOL H227405 2.711 4.624 1.489 -0.0145 0.1320 1.5269 3760SOL OH227406 2.046 5.232 1.739 -0.0535 -0.7080 0.0516 3760SOL H127407 2.012 5.159 1.687 -1.4423 0.4241 -0.7081 3760SOL H227408 2.131 5.252 1.699 -0.0398 -1.3501 -0.2596 3761SOL OH227409 5.819 3.317 1.159 -0.1395 -0.1643 0.3910 3761SOL H127410 5.809 3.240 1.103 1.2334 -1.0176 1.2739 3761SOL H227411 5.807 3.284 1.247 -0.8438 0.9068 0.7211 3762SOL OH227412 2.780 1.407 1.779 0.1073 -0.7286 0.1172 3762SOL H127413 2.706 1.453 1.741 -0.8713 -1.7976 0.6844 3762SOL H227414 2.854 1.429 1.722 -0.7036 0.0859 -0.6404 3763SOL OH227415 2.162 0.623 7.607 -0.1785 -0.6409 -0.2122 3763SOL H127416 2.143 0.671 7.688 -0.3766 -0.9281 -0.0874 3763SOL H227417 2.130 0.534 7.623 0.2455 -0.8387 -0.4157 3764SOL OH227418 2.952 0.246 2.118 -0.1058 0.3405 -0.0714 3764SOL H127419 2.943 0.188 2.043 0.6968 0.0195 0.0661 3764SOL H227420 2.913 0.198 2.191 0.1954 0.1353 -0.0416 3765SOL OH227421 2.498 0.266 0.301 0.0997 0.2366 0.4361 3765SOL H127422 2.523 0.288 0.212 0.0906 1.2501 0.6756 3765SOL H227423 2.402 0.260 0.298 -0.0994 2.5040 0.8343 3766SOL OH227424 1.366 4.852 7.494 0.4664 -0.3176 -0.5034 3766SOL H127425 1.326 4.844 7.408 -0.7620 0.0619 0.0043 3766SOL H227426 1.357 4.765 7.533 -1.4029 0.1288 0.2111 3767SOL OH227427 1.627 0.319 7.532 -0.0454 -0.3077 0.1778 3767SOL H127428 1.696 0.288 7.473 -0.0184 -1.1791 0.6511 3767SOL H227429 1.671 0.386 7.586 0.2241 -0.3051 -0.0415 3768SOL OH227430 3.076 4.795 6.509 -0.4646 0.0456 -0.4905 3768SOL H127431 3.011 4.731 6.537 -0.7318 0.9600 1.0606 3768SOL H227432 3.073 4.790 6.413 -1.2682 -1.4438 -0.4302 3769SOL OH227433 2.292 2.783 0.098 0.1171 0.3697 -0.5011 3769SOL H127434 2.307 2.707 0.154 1.2892 1.5629 0.8869 3769SOL H227435 2.197 2.796 0.100 0.0261 -0.3332 0.2260 3770SOL OH227436 5.551 4.707 6.855 0.6953 0.3556 0.3891 3770SOL H127437 5.542 4.776 6.920 0.6970 1.3173 -0.6130 3770SOL H227438 5.463 4.698 6.817 0.6536 -0.3171 0.6189 3771SOL OH227439 2.192 3.222 2.414 -0.5953 -0.2406 -0.3618 3771SOL H127440 2.243 3.303 2.412 -0.4372 -0.2813 1.0779 3771SOL H227441 2.246 3.158 2.367 0.9872 -0.4150 1.5703 3772SOL OH227442 5.191 2.129 8.041 0.1333 0.1594 0.1217 3772SOL H127443 5.270 2.075 8.045 -0.7422 -1.1809 0.1286 3772SOL H227444 5.186 2.157 7.949 -0.0769 -0.8789 -0.2061 3773SOL OH227445 3.148 2.442 1.470 0.0401 -0.4171 0.3882 3773SOL H127446 3.179 2.357 1.502 2.0886 0.3916 0.7761 3773SOL H227447 3.054 2.432 1.461 0.1451 -2.5202 1.0550 3774SOL OH227448 2.331 5.799 6.956 0.1040 -0.1271 0.2051 3774SOL H127449 2.391 5.748 7.010 1.5235 -0.0023 -1.1438 3774SOL H227450 2.387 5.835 6.887 -1.1610 1.8171 0.1141 3775SOL OH227451 2.751 2.278 0.292 0.0097 -0.0822 0.1556 3775SOL H127452 2.843 2.295 0.309 -0.1973 0.3244 0.9342 3775SOL H227453 2.712 2.365 0.279 0.0811 -0.3415 -2.1738 3776SOL OH227454 3.022 5.848 6.889 0.2692 0.0854 -0.0951 3776SOL H127455 3.113 5.876 6.896 0.5385 -1.1113 2.1840 3776SOL H227456 2.972 5.930 6.889 1.2816 0.7263 0.1886 3777SOL OH227457 2.411 4.280 7.785 -0.1124 -0.0564 -0.3234 3777SOL H127458 2.401 4.361 7.735 -1.4430 0.6622 1.0136 3777SOL H227459 2.366 4.298 7.868 0.4368 -1.8296 0.3978 3778SOL OH227460 4.317 0.471 0.403 0.4377 0.0100 0.0912 3778SOL H127461 4.271 0.520 0.335 -1.1784 -0.4133 0.8078 3778SOL H227462 4.408 0.499 0.397 0.1587 0.6396 -1.6330 3779SOL OH227463 3.785 2.529 0.302 0.1253 -0.2486 0.0522 3779SOL H127464 3.788 2.492 0.214 -1.7551 -0.7712 0.1521 3779SOL H227465 3.705 2.581 0.304 0.8266 0.8535 1.0675 3780SOL OH227466 5.552 0.690 0.800 -1.0496 0.0597 -0.3550 3780SOL H127467 5.619 0.730 0.745 0.3296 1.8620 2.3772 3780SOL H227468 5.471 0.699 0.750 0.2551 0.5529 -2.5086 3781SOL OH227469 0.094 0.027 8.265 -0.1893 0.0406 -0.2180 3781SOL H127470 0.133 0.078 8.195 1.4614 -1.7206 -0.6735 3781SOL H227471 0.156 0.035 8.338 -1.2556 0.8267 0.6350 3782SOL OH227472 4.911 4.057 0.950 -0.2823 0.6275 -0.2738 3782SOL H127473 4.973 3.986 0.969 -1.7079 -0.4391 0.5953 3782SOL H227474 4.957 4.112 0.886 0.2971 -1.9691 -2.2939 3783SOL OH227475 0.112 3.057 8.075 0.3535 0.5305 0.2675 3783SOL H127476 0.106 2.996 8.149 2.6458 -1.7709 -1.2847 3783SOL H227477 0.178 3.121 8.103 -0.5985 1.1602 1.1319 3784SOL OH227478 2.861 0.082 6.929 0.3033 0.0267 -0.1852 3784SOL H127479 2.805 0.020 6.975 -0.5091 0.8132 -0.0790 3784SOL H227480 2.833 0.168 6.962 1.9347 0.4166 0.2717 3785SOL OH227481 1.377 3.520 7.047 -0.0719 0.1928 -0.0617 3785SOL H127482 1.293 3.505 7.004 -0.0189 -1.3525 0.3227 3785SOL H227483 1.436 3.455 7.009 0.2350 -0.5406 1.6127 3786SOL OH227484 0.972 5.146 0.776 -0.2053 0.0027 0.3722 3786SOL H127485 0.897 5.121 0.830 0.4460 0.4878 1.5260 3786SOL H227486 0.973 5.242 0.779 -0.9505 0.1250 -1.6230 3787SOL OH227487 4.428 3.571 1.447 -0.4189 -0.3042 -0.1505 3787SOL H127488 4.414 3.477 1.454 -0.7884 -0.2421 0.0219 3787SOL H227489 4.346 3.609 1.480 -0.2334 0.0761 -0.1263 3788SOL OH227490 3.186 0.432 0.180 -0.2898 -0.0629 -0.1886 3788SOL H127491 3.281 0.429 0.170 -0.3917 0.2831 -1.4594 3788SOL H227492 3.170 0.407 0.271 0.9743 -0.8118 -0.1521 3789SOL OH227493 3.031 5.803 6.179 0.3224 0.1822 -0.1562 3789SOL H127494 2.981 5.874 6.137 -1.0954 -0.6854 -0.0236 3789SOL H227495 3.019 5.728 6.120 -0.9137 -0.7994 1.2649 3790SOL OH227496 4.631 5.495 6.990 0.1177 -0.2273 -0.2333 3790SOL H127497 4.547 5.461 6.960 -0.2787 0.9363 -0.4953 3790SOL H227498 4.609 5.574 7.039 1.1337 1.0463 -1.7211 3791SOL OH227499 4.593 2.590 7.034 0.3920 0.3343 -0.3110 3791SOL H127500 4.561 2.591 7.124 -1.5540 0.3899 -0.9601 3791SOL H227501 4.615 2.681 7.016 0.9459 0.2984 0.1382 3792SOL OH227502 5.661 4.067 7.444 -0.3080 -0.4128 -0.2630 3792SOL H127503 5.596 4.015 7.492 -0.4590 0.1135 0.1035 3792SOL H227504 5.642 4.157 7.467 2.1522 -0.3454 1.9438 3793SOL OH227505 1.762 5.988 8.196 -0.3109 0.2064 -0.2418 3793SOL H127506 1.854 6.011 8.184 -0.6268 1.7240 0.0174 3793SOL H227507 1.759 5.893 8.188 1.4266 0.0386 0.7271 3794SOL OH227508 0.085 5.015 0.626 0.2317 0.0398 -0.0461 3794SOL H127509 0.177 4.990 0.621 0.1241 -0.7213 1.4050 3794SOL H227510 0.075 5.084 0.560 1.4793 -0.8922 -1.2587 3795SOL OH227511 3.248 3.163 7.041 0.3590 -0.3849 -0.2045 3795SOL H127512 3.208 3.224 7.104 0.4362 0.3253 -0.8290 3795SOL H227513 3.210 3.078 7.063 0.7274 -0.2416 1.0963 3796SOL OH227514 3.894 0.946 0.421 0.0501 -0.4832 -0.2172 3796SOL H127515 3.842 0.987 0.490 -0.1894 -0.3853 -0.4546 3796SOL H227516 3.967 1.006 0.407 -1.0790 0.6507 -1.6063 3797SOL OH227517 0.495 5.109 1.276 -0.4861 0.0670 -0.2060 3797SOL H127518 0.513 5.101 1.370 -0.6067 0.4656 -0.1465 3797SOL H227519 0.428 5.042 1.260 1.0506 -1.4946 -0.4551 3798SOL OH227520 5.030 4.695 0.137 -0.2429 -0.0525 0.0210 3798SOL H127521 5.096 4.627 0.149 -0.0440 0.1720 0.2147 3798SOL H227522 4.993 4.708 0.225 -1.8968 -1.5229 -0.3942 3799SOL OH227523 3.743 3.301 1.425 0.0134 -0.3300 0.8444 3799SOL H127524 3.668 3.297 1.485 -1.7814 0.6402 -1.2196 3799SOL H227525 3.729 3.381 1.374 1.6401 -0.9464 -0.6671 3800SOL OH227526 5.760 3.012 1.988 0.1788 0.1252 0.0080 3800SOL H127527 5.807 2.987 1.908 -0.0382 0.3952 -0.2062 3800SOL H227528 5.807 3.088 2.021 -0.1550 0.4537 -0.2580 3801SOL OH227529 5.047 5.016 0.959 0.0937 0.0430 -0.3385 3801SOL H127530 5.105 4.963 1.014 -0.5316 -0.1308 0.1548 3801SOL H227531 5.089 5.013 0.873 0.0229 -1.3473 -0.3536 3802SOL OH227532 4.786 2.570 2.732 -0.0080 -0.6079 -0.7251 3802SOL H127533 4.785 2.612 2.646 -0.2354 -0.3201 -0.5848 3802SOL H227534 4.864 2.604 2.775 -0.7009 0.4466 -0.2422 3803SOL OH227535 1.899 4.246 0.275 -0.3726 -0.4037 0.0477 3803SOL H127536 1.878 4.337 0.292 -1.0498 -0.4709 -0.4148 3803SOL H227537 1.959 4.248 0.200 0.5699 -0.2750 0.7779 3804SOL OH227538 2.725 4.369 0.262 0.4410 0.3257 -0.6730 3804SOL H127539 2.633 4.340 0.263 1.0776 -1.8357 -0.6107 3804SOL H227540 2.724 4.453 0.307 -0.9486 -1.5021 3.1284 3805SOL OH227541 1.489 3.824 7.959 0.2199 -0.6003 -0.4182 3805SOL H127542 1.413 3.766 7.956 -1.5799 1.4603 1.3947 3805SOL H227543 1.539 3.793 8.035 0.5406 -1.2205 -0.8806 3806SOL OH227544 0.258 1.826 2.231 0.3933 -0.6892 0.0903 3806SOL H127545 0.240 1.846 2.139 -0.7944 -2.2900 -0.0543 3806SOL H227546 0.312 1.747 2.228 0.7039 -0.5125 0.7722 3807SOL OH227547 3.555 2.726 0.292 -0.6040 0.2420 0.1295 3807SOL H127548 3.517 2.812 0.279 -0.5228 0.2767 0.1195 3807SOL H227549 3.501 2.667 0.240 0.2240 0.4980 -1.0679 3808SOL OH227550 3.511 0.277 1.140 -0.2954 -0.5418 -0.0526 3808SOL H127551 3.558 0.200 1.171 0.1511 0.0960 0.9187 3808SOL H227552 3.449 0.298 1.211 -0.4229 -0.0212 -0.3070 3809SOL OH227553 2.864 3.159 1.955 0.5680 -0.3296 0.3826 3809SOL H127554 2.955 3.188 1.962 0.4667 -0.0616 0.5804 3809SOL H227555 2.862 3.109 1.873 1.2026 -1.4943 1.0397 3810SOL OH227556 0.958 4.764 7.283 0.0887 0.0431 -0.4165 3810SOL H127557 1.037 4.713 7.264 0.2570 0.4723 -0.9033 3810SOL H227558 0.950 4.823 7.208 -0.8294 -0.1634 -0.4882 3811SOL OH227559 4.048 0.577 2.012 0.2040 -0.0400 0.2938 3811SOL H127560 4.119 0.528 1.969 1.3712 2.5266 -0.9248 3811SOL H227561 4.045 0.660 1.965 -1.7237 1.0614 2.2112 3812SOL OH227562 2.796 1.847 0.263 -0.5751 -0.2874 -0.2121 3812SOL H127563 2.705 1.868 0.241 -1.6443 -3.3971 0.7847 3812SOL H227564 2.817 1.905 0.336 -1.4388 1.0002 -0.9306 3813SOL OH227565 2.779 4.028 8.131 0.0528 -0.2357 -0.1240 3813SOL H127566 2.791 3.937 8.106 0.5739 -0.5650 1.2240 3813SOL H227567 2.866 4.067 8.120 1.1425 -1.1029 3.7146 3814SOL OH227568 0.908 5.881 0.637 0.1320 0.6107 -0.0391 3814SOL H127569 0.931 5.974 0.627 -0.5892 0.8186 0.1600 3814SOL H227570 0.960 5.852 0.712 1.0563 0.6010 -0.6587 3815SOL OH227571 0.827 2.442 0.140 -0.3698 -0.2117 0.2196 3815SOL H127572 0.797 2.532 0.135 -1.4148 -0.5801 -0.5203 3815SOL H227573 0.751 2.392 0.171 -0.8183 -1.2465 -2.2849 3816SOL OH227574 2.692 5.632 1.496 0.5843 -0.6117 0.6494 3816SOL H127575 2.754 5.566 1.465 2.0407 1.2302 -0.5552 3816SOL H227576 2.724 5.654 1.584 0.8256 -0.6068 0.5606 3817SOL OH227577 1.796 1.935 7.536 -0.0595 0.3941 -0.1213 3817SOL H127578 1.773 1.989 7.612 -0.1721 1.7896 -1.0975 3817SOL H227579 1.858 1.989 7.486 0.4740 -0.7364 -0.7166 3818SOL OH227580 2.112 3.541 0.854 0.1386 0.2116 0.2230 3818SOL H127581 2.048 3.612 0.857 -0.7256 -0.5240 -0.2588 3818SOL H227582 2.062 3.465 0.824 0.9834 -0.6662 0.9507 3819SOL OH227583 5.959 5.363 2.364 -0.0967 0.3685 0.2549 3819SOL H127584 6.029 5.323 2.312 -0.2550 -1.0765 1.1149 3819SOL H227585 5.882 5.308 2.347 -0.5067 0.7190 0.9299 3820SOL OH227586 2.596 1.330 0.963 -0.0340 0.3423 0.1125 3820SOL H127587 2.626 1.401 0.906 -1.0996 -0.4715 -1.5540 3820SOL H227588 2.665 1.264 0.957 0.0671 0.4466 0.1222 3821SOL OH227589 3.454 4.837 6.932 -0.4392 0.3332 -0.2195 3821SOL H127590 3.480 4.780 6.860 0.9688 2.7085 -1.7189 3821SOL H227591 3.377 4.884 6.899 -0.8844 0.1585 0.5406 3822SOL OH227592 5.029 2.279 0.183 0.2232 0.0775 0.0711 3822SOL H127593 5.042 2.373 0.198 -2.4126 0.6742 -0.8207 3822SOL H227594 5.071 2.263 0.098 1.0232 0.3425 0.4066 3823SOL OH227595 1.778 2.811 7.356 -0.3087 -0.1540 0.2694 3823SOL H127596 1.682 2.806 7.352 -0.4268 1.0489 1.0617 3823SOL H227597 1.796 2.868 7.431 1.0517 -0.9556 0.5783 3824SOL OH227598 4.908 2.651 6.613 -0.2126 -0.1553 -0.1235 3824SOL H127599 4.875 2.740 6.618 2.0107 0.6690 1.0807 3824SOL H227600 4.902 2.618 6.702 0.1755 -0.7588 -0.3150 3825SOL OH227601 1.953 0.509 7.770 -0.4311 0.5495 -0.3531 3825SOL H127602 1.869 0.524 7.726 -1.5851 0.2175 1.6205 3825SOL H227603 1.971 0.416 7.757 0.0470 0.7718 -1.4113 3826SOL OH227604 2.354 4.532 8.149 -0.3218 -0.0232 0.3678 3826SOL H127605 2.327 4.618 8.115 0.3477 0.0115 -0.0994 3826SOL H227606 2.450 4.537 8.152 -0.3145 -0.5275 0.9541 3827SOL OH227607 1.745 3.432 7.152 0.2027 0.2224 0.5638 3827SOL H127608 1.729 3.342 7.180 0.9292 -0.0216 0.2358 3827SOL H227609 1.838 3.433 7.128 -0.0451 0.7889 -0.4426 3828SOL OH227610 4.537 2.689 7.544 0.6686 -0.2289 -0.0036 3828SOL H127611 4.519 2.605 7.588 -1.0259 -0.8349 -1.7260 3828SOL H227612 4.632 2.690 7.534 0.9034 -1.0759 1.6605 3829SOL OH227613 1.301 2.114 1.223 0.3327 0.2293 0.2533 3829SOL H127614 1.233 2.177 1.250 -0.4082 0.4892 -2.0613 3829SOL H227615 1.277 2.034 1.269 -0.4637 0.8173 0.9162 3830SOL OH227616 4.583 5.271 7.456 -0.0738 -0.0559 -0.1987 3830SOL H127617 4.503 5.267 7.404 -0.4031 -1.2704 0.3730 3830SOL H227618 4.602 5.365 7.464 -1.8058 0.2841 0.2366 3831SOL OH227619 3.703 2.335 1.210 0.1681 0.2562 0.0397 3831SOL H127620 3.768 2.272 1.242 1.2255 2.0348 1.5597 3831SOL H227621 3.716 2.413 1.264 -1.9441 1.3617 -0.9353 3832SOL OH227622 4.149 2.696 7.265 -0.1007 -0.0911 -0.3994 3832SOL H127623 4.058 2.694 7.294 0.7398 1.8090 2.8732 3832SOL H227624 4.179 2.606 7.274 -0.6227 -0.0518 2.5737 3833SOL OH227625 1.338 2.212 2.843 -0.1119 0.4494 0.7854 3833SOL H127626 1.343 2.288 2.900 2.1164 -0.3181 1.7495 3833SOL H227627 1.270 2.156 2.882 0.8651 0.2760 2.3188 3834SOL OH227628 1.611 4.233 7.089 0.1121 0.0698 0.0295 3834SOL H127629 1.519 4.229 7.064 0.0598 -1.1229 0.3343 3834SOL H227630 1.610 4.266 7.179 0.1215 1.7787 -0.5692 3835SOL OH227631 5.756 1.658 1.945 -1.0645 -0.4410 -0.2024 3835SOL H127632 5.743 1.626 2.034 2.5967 2.1477 1.5316 3835SOL H227633 5.813 1.594 1.903 1.9097 0.9545 1.4381 3836SOL OH227634 4.186 5.969 2.088 -0.6075 -0.1693 -0.3004 3836SOL H127635 4.172 5.889 2.137 0.0791 -0.4933 -0.6196 3836SOL H227636 4.206 5.940 1.999 -0.4463 0.3574 -0.4435 3837SOL OH227637 1.679 5.262 7.705 0.1508 0.2198 -0.0358 3837SOL H127638 1.734 5.225 7.636 0.8629 1.6268 -0.2568 3837SOL H227639 1.696 5.356 7.701 -1.3306 0.5462 0.7328 3838SOL OH227640 4.189 3.766 0.579 -0.4876 0.0136 0.2292 3838SOL H127641 4.163 3.846 0.625 -0.6009 -0.5510 1.1731 3838SOL H227642 4.231 3.797 0.499 -1.7495 0.9954 -0.0832 3839SOL OH227643 0.277 2.688 1.309 -0.3990 -0.3234 -0.4614 3839SOL H127644 0.313 2.600 1.293 0.5787 0.1710 -1.0607 3839SOL H227645 0.352 2.747 1.299 -1.2190 0.6668 -0.9784 3840SOL OH227646 4.119 2.150 7.370 0.4184 0.2243 0.1971 3840SOL H127647 4.179 2.110 7.433 0.4363 0.9470 0.6431 3840SOL H227648 4.158 2.130 7.285 0.5683 -0.4774 0.4249 3841SOL OH227649 4.824 1.441 1.718 -0.3365 0.0238 1.3423 3841SOL H127650 4.903 1.406 1.677 -1.0760 -1.5405 1.1651 3841SOL H227651 4.812 1.528 1.678 -0.2202 -0.8435 -0.7048 3842SOL OH227652 1.980 1.395 1.752 0.3474 0.1721 -0.1015 3842SOL H127653 2.053 1.381 1.692 -0.1781 0.9526 -0.9501 3842SOL H227654 1.960 1.489 1.743 -1.0412 -0.1171 -0.2286 3843SOL OH227655 2.731 3.433 0.948 0.6139 0.1655 -0.5893 3843SOL H127656 2.811 3.408 0.903 1.8690 2.0353 0.4310 3843SOL H227657 2.702 3.513 0.903 -0.4210 -0.1941 -0.6095 3844SOL OH227658 4.447 4.527 6.297 -0.4662 -0.6738 0.4355 3844SOL H127659 4.478 4.480 6.374 -0.5255 -0.5505 0.5333 3844SOL H227660 4.371 4.478 6.267 -0.3967 -0.7657 0.4096 3845SOL OH227661 4.774 5.071 1.907 -0.1289 -0.1271 0.5156 3845SOL H127662 4.723 5.122 1.844 0.5995 -0.9788 -0.8147 3845SOL H227663 4.711 5.041 1.971 -1.0056 0.2647 -0.1448 3846SOL OH227664 0.910 3.194 8.201 -0.1104 -0.0900 -0.4620 3846SOL H127665 0.878 3.217 8.288 -0.8946 0.6209 -0.9173 3846SOL H227666 0.899 3.274 8.150 -1.1909 -0.9547 -1.6357 3847SOL OH227667 4.122 1.812 1.884 -0.3865 -0.3944 0.5713 3847SOL H127668 4.072 1.769 1.953 -0.6746 -0.1681 0.5040 3847SOL H227669 4.123 1.749 1.811 -2.0813 0.2900 -0.0850 3848SOL OH227670 0.717 3.520 7.299 -0.3672 0.2570 0.4297 3848SOL H127671 0.810 3.522 7.322 -0.4276 -0.5793 0.7924 3848SOL H227672 0.677 3.468 7.368 -0.5913 -2.2353 -1.4440 3849SOL OH227673 2.746 0.945 1.700 -0.1212 -0.3601 0.3919 3849SOL H127674 2.820 0.978 1.751 -0.0987 -0.1788 0.2422 3849SOL H227675 2.786 0.901 1.625 -0.1865 2.0612 -1.1510 3850SOL OH227676 4.780 2.523 0.177 0.2267 0.8651 -0.1508 3850SOL H127677 4.697 2.541 0.132 -0.2302 1.7763 1.0013 3850SOL H227678 4.843 2.580 0.133 -0.5050 2.8416 1.1744 3851SOL OH227679 5.398 2.767 7.714 0.0479 0.2125 0.2074 3851SOL H127680 5.326 2.824 7.688 1.1485 1.7140 0.3593 3851SOL H227681 5.477 2.816 7.693 1.0703 -1.5208 -0.2361 3852SOL OH227682 5.641 0.492 1.376 0.1819 -0.0052 -0.0387 3852SOL H127683 5.701 0.563 1.352 0.6445 -0.8171 -1.3884 3852SOL H227684 5.698 0.415 1.387 -0.4417 -0.4299 0.2543 3853SOL OH227685 5.630 3.233 0.882 0.0663 -0.2666 0.1485 3853SOL H127686 5.564 3.186 0.832 -0.7641 0.4617 0.5343 3853SOL H227687 5.616 3.204 0.972 1.2602 -1.2340 0.0437 3854SOL OH227688 2.998 3.008 0.860 0.1029 0.4243 0.1271 3854SOL H127689 3.035 3.028 0.946 1.0559 -0.3892 -0.0704 3854SOL H227690 2.904 3.023 0.870 0.2930 1.1120 1.0738 3855SOL OH227691 0.185 5.183 8.354 0.0002 0.1251 -0.0090 3855SOL H127692 0.134 5.107 8.326 -2.2100 1.3499 0.4599 3855SOL H227693 0.181 5.243 8.280 1.6926 -0.1558 -0.3600 3856SOL OH227694 1.180 1.679 1.570 0.2128 0.0770 -0.5146 3856SOL H127695 1.275 1.668 1.573 0.0942 -0.7866 0.7464 3856SOL H227696 1.153 1.683 1.661 -0.8847 1.2226 -0.8620 3857SOL OH227697 0.368 5.095 0.215 -0.2774 0.5608 0.4796 3857SOL H127698 0.328 5.127 0.133 1.2797 -0.1328 -0.6046 3857SOL H227699 0.322 5.013 0.233 -0.9504 0.9476 0.5755 3858SOL OH227700 1.345 0.689 7.688 -0.3570 -0.5068 -0.4811 3858SOL H127701 1.325 0.597 7.669 -0.3649 -0.4187 -0.9245 3858SOL H227702 1.323 0.700 7.780 -1.2964 -0.7057 -0.6649 3859SOL OH227703 2.086 2.382 0.393 0.0113 -0.1740 0.7730 3859SOL H127704 2.046 2.322 0.331 1.1215 1.4821 -1.7416 3859SOL H227705 2.023 2.454 0.401 0.4470 0.2542 0.4485 3860SOL OH227706 0.539 4.643 0.760 0.3822 0.2137 0.0664 3860SOL H127707 0.503 4.664 0.674 0.6859 0.8698 0.0875 3860SOL H227708 0.468 4.600 0.807 -0.2799 1.1946 -0.0028 3861SOL OH227709 1.901 5.316 0.314 0.2448 -0.4187 0.0088 3861SOL H127710 1.985 5.310 0.267 -0.1344 -0.8290 -0.6260 3861SOL H227711 1.843 5.362 0.254 -0.0434 -0.2998 0.3764 3862SOL OH227712 1.865 4.428 0.036 -0.0051 0.0007 0.2545 3862SOL H127713 1.871 4.499 0.100 1.1125 -1.3273 1.6964 3862SOL H227714 1.801 4.459 -0.028 0.1647 2.1304 1.0413 3863SOL OH227715 4.904 3.908 7.922 0.0283 -0.2549 -0.1145 3863SOL H127716 4.896 3.861 7.839 0.4529 -1.7626 0.6619 3863SOL H227717 4.972 3.861 7.970 -1.2334 -0.3402 1.6845 3864SOL OH227718 1.793 5.732 1.622 -0.0045 0.0339 -0.1157 3864SOL H127719 1.823 5.643 1.602 -1.3470 -0.7355 1.1056 3864SOL H227720 1.870 5.776 1.657 0.1488 -1.3828 1.4233 3865SOL OH227721 2.569 3.669 1.246 -0.3356 0.2843 -0.4639 3865SOL H127722 2.518 3.699 1.170 0.1792 0.0794 -0.8969 3865SOL H227723 2.536 3.722 1.319 0.6012 1.9950 -1.2193 3866SOL OH227724 5.723 1.463 1.608 -0.7306 -0.3704 0.3909 3866SOL H127725 5.678 1.546 1.597 1.1612 0.7082 0.3092 3866SOL H227726 5.760 1.467 1.696 -1.3451 -1.5209 0.7216 3867SOL OH227727 2.398 3.524 0.428 -0.2983 0.3257 -0.2586 3867SOL H127728 2.323 3.560 0.475 0.4082 1.8496 -0.2452 3867SOL H227729 2.360 3.481 0.351 -1.2726 -0.1304 0.4448 3868SOL OH227730 4.432 1.071 7.390 -0.1209 -0.2312 -0.5416 3868SOL H127731 4.517 1.101 7.422 0.0801 -2.8121 1.6489 3868SOL H227732 4.369 1.105 7.454 -0.0800 -2.6459 0.8909 3869SOL OH227733 1.249 0.809 6.491 -0.0640 0.1966 0.1231 3869SOL H127734 1.170 0.859 6.512 0.0200 -0.0445 1.0227 3869SOL H227735 1.320 0.859 6.531 0.0396 -0.5385 0.8664 3870SOL OH227736 3.457 5.775 7.510 -0.3666 0.6802 0.3802 3870SOL H127737 3.443 5.802 7.419 -0.2214 2.2605 0.7946 3870SOL H227738 3.369 5.766 7.546 -0.4536 -0.9842 -0.1706 3871SOL OH227739 1.514 0.090 6.934 -0.3717 -0.0868 -0.8107 3871SOL H127740 1.579 0.161 6.940 -0.4708 -0.1224 1.0854 3871SOL H227741 1.548 0.022 6.991 -1.5815 -0.5130 -0.5725 3872SOL OH227742 2.495 4.450 0.847 0.4080 -0.0730 -0.2972 3872SOL H127743 2.584 4.468 0.816 0.1408 1.1901 -0.3796 3872SOL H227744 2.439 4.479 0.775 -0.1315 0.6851 0.4177 3873SOL OH227745 1.874 5.267 7.078 0.5731 -0.1395 -0.0568 3873SOL H127746 1.968 5.251 7.081 1.1221 2.4126 -1.1014 3873SOL H227747 1.846 5.228 6.994 0.5812 -1.2348 0.4301 3874SOL OH227748 6.064 5.701 0.410 0.1945 0.0574 -0.2645 3874SOL H127749 5.989 5.657 0.450 1.1591 -0.0037 1.5810 3874SOL H227750 6.039 5.793 0.407 -0.0916 -0.0104 0.0174 3875SOL OH227751 3.657 5.867 2.370 0.6535 0.3556 -0.0210 3875SOL H127752 3.585 5.916 2.330 0.0656 -0.2836 0.2176 3875SOL H227753 3.654 5.781 2.327 -0.6327 -0.7064 1.9942 3876SOL OH227754 1.741 0.966 1.919 -0.1999 -0.6560 -0.1606 3876SOL H127755 1.825 0.927 1.942 -0.0258 -0.2630 -0.1156 3876SOL H227756 1.764 1.042 1.864 -0.4472 0.2326 0.9210 3877SOL OH227757 0.844 5.370 7.086 -0.0818 -0.0150 0.0894 3877SOL H127758 0.809 5.430 7.021 3.6410 1.9746 -0.3748 3877SOL H227759 0.844 5.420 7.168 -0.7504 -0.9428 0.6774 3878SOL OH227760 1.269 0.758 2.446 -0.3431 0.6111 0.0386 3878SOL H127761 1.359 0.726 2.442 0.0655 1.8048 -1.0911 3878SOL H227762 1.229 0.708 2.517 1.1029 -0.1944 0.3304 3879SOL OH227763 2.621 5.137 0.508 0.2201 -0.1241 -0.2578 3879SOL H127764 2.546 5.130 0.566 -1.3806 1.2714 -2.0527 3879SOL H227765 2.680 5.199 0.552 0.1381 -0.8316 0.9047 3880SOL OH227766 5.867 0.415 1.124 -0.1538 0.5342 -0.3688 3880SOL H127767 5.881 0.452 1.211 0.8138 0.1571 -0.3538 3880SOL H227768 5.773 0.395 1.122 0.1762 -1.6422 1.4929 3881SOL OH227769 2.910 3.904 2.327 -0.6563 -0.0704 0.1878 3881SOL H127770 2.932 3.924 2.236 -2.1824 0.7077 -0.0568 3881SOL H227771 2.972 3.955 2.379 -0.4637 0.3269 -0.4268 3882SOL OH227772 0.076 2.153 2.224 -0.2750 0.2518 0.1119 3882SOL H127773 0.035 2.140 2.310 -0.3058 -1.1571 -0.0923 3882SOL H227774 0.006 2.138 2.161 0.1098 -0.3067 -0.1895 3883SOL OH227775 5.469 5.730 8.121 0.0237 -0.3527 -0.1237 3883SOL H127776 5.390 5.741 8.069 1.0623 0.0078 -1.6901 3883SOL H227777 5.462 5.797 8.190 0.6645 2.3035 -2.4701 3884SOL OH227778 4.617 5.610 6.678 -0.5243 -0.3537 0.4952 3884SOL H127779 4.633 5.517 6.694 -0.4442 -0.5132 -0.4669 3884SOL H227780 4.525 5.614 6.652 -0.2231 -0.3203 -0.5958 3885SOL OH227781 3.056 0.618 0.036 -0.0582 0.1214 0.0751 3885SOL H127782 3.110 0.555 0.084 0.6988 0.3474 -0.4746 3885SOL H227783 2.967 0.604 0.071 0.0852 -1.2686 -0.0651 3886SOL OH227784 4.363 4.594 0.255 0.0079 0.0523 0.1530 3886SOL H127785 4.306 4.574 0.180 -0.7739 0.0489 0.7281 3886SOL H227786 4.361 4.514 0.308 -2.8888 1.3639 2.3176 3887SOL OH227787 4.118 4.760 8.096 0.3814 -0.2765 -0.0955 3887SOL H127788 4.083 4.817 8.027 1.5613 1.2312 0.4649 3887SOL H227789 4.041 4.725 8.140 -0.3910 -0.1932 -1.3204 3888SOL OH227790 0.952 2.738 1.606 0.0806 0.4225 0.4200 3888SOL H127791 0.936 2.649 1.635 1.5160 -0.2524 -0.7167 3888SOL H227792 1.038 2.735 1.564 -0.0584 2.2246 -0.1143 3889SOL OH227793 4.130 0.914 7.047 -0.3371 0.0559 -0.6261 3889SOL H127794 4.134 0.820 7.032 0.2117 -0.1629 0.6905 3889SOL H227795 4.139 0.953 6.961 2.4214 -1.0461 -0.9143 3890SOL OH227796 1.019 1.686 7.637 0.1291 0.2785 -0.4037 3890SOL H127797 0.978 1.605 7.667 -0.1014 0.5511 0.0222 3890SOL H227798 1.113 1.668 7.642 0.1297 0.6276 1.3999 3891SOL OH227799 1.328 0.604 1.594 0.2368 0.6362 -0.1864 3891SOL H127800 1.389 0.534 1.617 2.3786 2.5326 0.3078 3891SOL H227801 1.283 0.625 1.676 1.3335 1.3691 0.2586 3892SOL OH227802 4.557 0.586 0.411 -0.3637 -0.3589 0.3845 3892SOL H127803 4.601 0.634 0.341 -1.2206 0.8067 0.6307 3892SOL H227804 4.566 0.642 0.488 -0.1140 -1.2728 1.0367 3893SOL OH227805 2.388 4.521 1.300 0.4505 -0.2838 0.1458 3893SOL H127806 2.334 4.583 1.250 0.9290 -0.3444 -0.4508 3893SOL H227807 2.443 4.576 1.355 0.1395 -0.2115 0.3931 3894SOL OH227808 4.200 0.688 6.163 0.3123 -0.5914 0.1795 3894SOL H127809 4.131 0.621 6.167 -0.7397 0.2312 -2.1334 3894SOL H227810 4.281 0.639 6.149 -0.1814 -1.4762 0.3616 3895SOL OH227811 2.045 5.861 1.312 -0.0740 0.1000 0.5921 3895SOL H127812 1.974 5.924 1.303 0.8164 1.1770 0.9245 3895SOL H227813 2.100 5.876 1.235 0.2895 -0.0914 0.8126 3896SOL OH227814 2.045 0.420 8.269 0.0965 0.1993 0.7402 3896SOL H127815 2.127 0.371 8.273 -0.2845 -0.3965 1.3931 3896SOL H227816 1.988 0.367 8.214 0.9526 1.8854 -2.0190 3897SOL OH227817 1.778 0.254 0.431 0.3357 0.2998 0.1552 3897SOL H127818 1.741 0.195 0.496 -0.5258 -0.8361 -1.2956 3897SOL H227819 1.719 0.329 0.429 1.5534 1.3979 2.1630 3898SOL OH227820 5.633 4.200 1.111 0.2837 -0.5087 -0.0350 3898SOL H127821 5.613 4.233 1.198 -3.2486 -0.3844 -0.7193 3898SOL H227822 5.684 4.269 1.069 -1.9683 1.5806 0.4882 3899SOL OH227823 5.924 5.195 7.886 0.0950 -0.1911 -0.4420 3899SOL H127824 5.965 5.273 7.849 -1.8274 -0.1627 -2.7533 3899SOL H227825 5.972 5.122 7.847 0.0106 -0.1487 -0.6292 3900SOL OH227826 4.048 4.993 6.607 0.3221 -0.5208 -0.0864 3900SOL H127827 4.143 4.978 6.600 0.3765 -0.6772 0.8710 3900SOL H227828 4.009 4.922 6.556 0.7036 -0.8914 0.1253 3901SOL OH227829 2.086 5.825 7.808 -0.6175 0.2333 -0.1125 3901SOL H127830 2.000 5.865 7.798 -0.0869 1.4841 0.1849 3901SOL H227831 2.094 5.807 7.902 -0.0166 1.4025 0.0763 3902SOL OH227832 2.343 1.546 8.161 0.9981 0.2837 0.0958 3902SOL H127833 2.425 1.545 8.209 1.1408 -0.8360 -0.1550 3902SOL H227834 2.276 1.564 8.227 1.1121 -1.8466 0.8738 3903SOL OH227835 4.307 0.522 0.701 -0.0763 0.4925 -0.1619 3903SOL H127836 4.332 0.496 0.612 1.0149 0.0726 0.2550 3903SOL H227837 4.281 0.614 0.692 1.0848 0.7831 -0.7423 3904SOL OH227838 0.414 3.408 1.833 0.2245 -0.6150 -0.1402 3904SOL H127839 0.398 3.483 1.889 -1.9390 -0.7480 -0.4988 3904SOL H227840 0.458 3.344 1.889 -1.2058 -0.4629 1.2173 3905SOL OH227841 0.635 1.172 8.163 -0.4024 -0.1766 0.0760 3905SOL H127842 0.673 1.122 8.090 -0.5250 0.0849 -0.1706 3905SOL H227843 0.681 1.255 8.161 -1.7221 0.5610 -0.9028 3906SOL OH227844 4.183 -0.018 1.794 -0.0171 -0.0630 0.2427 3906SOL H127845 4.199 -0.036 1.702 -0.8846 0.3050 0.0069 3906SOL H227846 4.196 0.077 1.803 0.0911 -0.1010 0.4994 3907SOL OH227847 1.560 4.936 0.983 0.1585 0.0836 0.3405 3907SOL H127848 1.484 4.982 1.019 0.6565 0.3451 1.0887 3907SOL H227849 1.598 4.892 1.059 0.6774 -0.1536 -0.0582 3908SOL OH227850 0.790 1.603 0.170 -0.4651 0.5226 0.3394 3908SOL H127851 0.727 1.545 0.214 -0.6862 -0.0159 -0.6541 3908SOL H227852 0.741 1.682 0.151 -0.5498 0.5078 0.4971 3909SOL OH227853 0.045 2.439 7.587 -0.2848 -0.1010 -0.3291 3909SOL H127854 0.085 2.352 7.592 -0.0052 0.1013 1.5278 3909SOL H227855 0.061 2.478 7.672 0.7764 2.3337 -1.5390 3910SOL OH227856 0.204 1.842 1.942 -0.1440 0.4663 0.1381 3910SOL H127857 0.220 1.758 1.900 -0.6662 -0.2463 1.3327 3910SOL H227858 0.109 1.846 1.954 0.0541 0.2171 2.0703 3911SOL OH227859 0.296 1.723 7.644 -0.2769 -0.3105 0.0791 3911SOL H127860 0.242 1.759 7.573 -0.0289 -0.6594 -0.2899 3911SOL H227861 0.326 1.639 7.611 -1.4896 -1.2463 1.2376 3912SOL OH227862 0.717 1.429 8.127 -0.0690 0.1752 -0.2098 3912SOL H127863 0.774 1.501 8.153 -0.1192 0.0243 0.3146 3912SOL H227864 0.708 1.440 8.032 -0.2729 1.0032 -0.1091 3913SOL OH227865 4.056 0.084 7.413 -0.2591 -0.4224 0.0704 3913SOL H127866 4.143 0.046 7.408 -0.0265 0.1321 -0.1628 3913SOL H227867 4.061 0.163 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3954SOL H227990 5.361 1.868 7.862 0.1528 0.3432 0.4394 3955SOL OH227991 4.084 2.609 7.758 -0.1156 -0.0916 -0.4218 3955SOL H127992 4.059 2.649 7.675 1.8962 1.7869 -0.2118 3955SOL H227993 4.179 2.617 7.762 -0.2018 0.8916 2.5249 3956SOL OH227994 4.642 1.354 0.445 0.5203 -0.1158 0.0125 3956SOL H127995 4.609 1.407 0.373 2.5210 -0.3140 -1.1075 3956SOL H227996 4.665 1.270 0.405 1.7002 -0.2173 0.8494 3957SOL OH227997 4.157 5.186 2.464 -0.0556 -0.1437 0.3711 3957SOL H127998 4.225 5.243 2.429 -1.8586 0.5065 -2.4138 3957SOL H227999 4.087 5.246 2.491 -0.1279 -0.8566 1.8251 3958SOL OH228000 5.503 1.590 1.839 0.0921 -0.2292 -0.1496 3958SOL H128001 5.573 1.654 1.830 0.1255 0.1982 2.3622 3958SOL H228002 5.425 1.634 1.804 0.7441 -0.1116 -1.4945 3959SOL OH228003 0.400 6.006 7.181 0.2084 -0.1669 0.8475 3959SOL H128004 0.462 5.937 7.161 2.2579 1.3937 1.5116 3959SOL H228005 0.317 5.960 7.198 1.2383 -2.3317 0.3261 3960SOL OH228006 5.520 5.471 6.255 -0.0829 -0.7240 -0.3312 3960SOL H128007 5.444 5.526 6.233 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H128025 4.343 3.436 7.996 -0.1413 0.2521 -1.7078 3966SOL H228026 4.415 3.314 8.050 -0.2531 2.1565 3.2961 3967SOL OH228027 5.602 4.330 7.483 0.0856 -0.5348 -0.1918 3967SOL H128028 5.526 4.333 7.425 2.0521 0.0539 -2.9497 3967SOL H228029 5.617 4.421 7.508 -1.1372 -0.8541 1.9131 3968SOL OH228030 5.306 1.416 7.389 0.2691 -0.0869 -0.3137 3968SOL H128031 5.275 1.506 7.378 0.5052 0.2971 1.7139 3968SOL H228032 5.384 1.410 7.334 -0.3335 0.6028 -1.2791 3969SOL OH228033 2.814 1.460 2.752 0.3303 0.5290 -0.0791 3969SOL H128034 2.890 1.401 2.752 1.5116 1.9689 1.1688 3969SOL H228035 2.740 1.403 2.775 1.3782 -0.5560 0.7183 3970SOL OH228036 1.338 1.778 0.548 -0.6143 0.0338 0.0509 3970SOL H128037 1.408 1.827 0.504 -1.6891 0.3286 -1.3779 3970SOL H228038 1.378 1.693 0.566 0.9860 1.0591 1.7674 3971SOL OH228039 5.879 0.150 0.217 -0.0629 0.1916 0.1184 3971SOL H128040 5.812 0.096 0.260 -0.7562 -0.2338 -1.4444 3971SOL H228041 5.868 0.133 0.124 0.4158 2.2365 -0.3547 3972SOL OH228042 0.573 2.650 2.367 -0.5124 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H129519 5.537 4.935 1.642 -0.0174 -0.3420 -0.1504 4464SOL H229520 5.491 4.869 1.514 -0.0535 1.2175 -0.9614 4465SOL OH229521 0.965 2.195 1.811 0.6052 0.2834 0.2259 4465SOL H129522 0.898 2.213 1.745 0.8885 -1.6140 -0.6444 4465SOL H229523 0.915 2.170 1.889 0.2761 0.0117 -0.0644 4466SOL OH229524 1.730 0.579 0.465 0.8035 0.1184 0.5925 4466SOL H129525 1.638 0.596 0.488 0.6302 -0.2115 0.1523 4466SOL H229526 1.759 0.658 0.420 0.8018 0.3128 0.9349 4467SOL OH229527 2.501 2.992 1.230 -0.2558 0.2391 0.2316 4467SOL H129528 2.444 2.917 1.210 -1.4782 0.9441 0.9181 4467SOL H229529 2.584 2.953 1.257 -0.4604 -0.8332 -0.5831 4468SOL OH229530 4.891 3.512 0.211 -0.4335 -0.5260 0.1202 4468SOL H129531 4.824 3.458 0.167 0.1675 0.3228 -1.9459 4468SOL H229532 4.966 3.453 0.221 -0.6345 -0.7778 0.1602 4469SOL OH229533 5.742 0.014 1.674 -0.6067 0.1178 -0.2628 4469SOL H129534 5.665 0.056 1.637 0.2578 2.1541 0.0786 4469SOL H229535 5.816 0.060 1.634 0.4673 -1.8353 -0.6642 4470SOL OH229536 2.239 3.412 7.471 -0.2510 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1.476 -0.2606 -0.2037 0.1533 4488SOL OH229590 1.548 4.492 7.908 0.0134 0.3045 0.1846 4488SOL H129591 1.493 4.440 7.850 0.4606 0.9666 -0.8560 4488SOL H229592 1.487 4.523 7.976 -0.9487 1.1257 -1.0093 4489SOL OH229593 4.246 4.998 0.081 0.4861 -0.3472 0.0778 4489SOL H129594 4.271 4.994 -0.011 -0.6603 0.3062 -0.2893 4489SOL H229595 4.328 4.992 0.129 1.1789 0.1049 -1.0157 4490SOL OH229596 6.015 1.784 7.400 0.2619 0.1726 -0.2077 4490SOL H129597 5.970 1.710 7.357 -0.8344 0.6099 0.1614 4490SOL H229598 5.979 1.861 7.357 1.9385 0.5008 -1.0965 4491SOL OH229599 3.651 5.286 1.358 0.4552 -0.4554 -0.0611 4491SOL H129600 3.587 5.358 1.354 -0.2428 -1.0170 0.7033 4491SOL H229601 3.730 5.327 1.393 -0.2077 -0.2168 1.2302 4492SOL OH229602 5.203 3.603 0.527 0.7572 -0.1772 0.5652 4492SOL H129603 5.281 3.638 0.570 1.3139 -2.2013 1.3392 4492SOL H229604 5.218 3.508 0.524 -0.8845 -0.4471 -0.9053 4493SOL OH229605 0.602 5.289 0.649 -0.1069 0.2867 0.0351 4493SOL H129606 0.538 5.245 0.592 -0.4284 -0.7043 1.1240 4493SOL H229607 0.549 5.348 0.703 0.2122 1.3158 -0.7308 4494SOL OH229608 4.903 5.821 1.973 -0.6462 0.6514 -0.6137 4494SOL H129609 4.911 5.734 1.934 -0.2372 0.7576 -0.7723 4494SOL H229610 4.988 5.862 1.958 -0.3413 0.5538 0.7663 4495SOL OH229611 5.004 2.296 1.580 0.2539 0.1944 -0.8350 4495SOL H129612 5.001 2.284 1.675 -1.6443 1.7538 -0.6328 4495SOL H229613 5.039 2.214 1.546 -1.0224 -1.2182 1.0903 4496SOL OH229614 1.156 5.422 8.152 0.3035 -0.2301 0.1701 4496SOL H129615 1.219 5.422 8.224 2.5697 1.4194 -1.6888 4496SOL H229616 1.186 5.353 8.093 -0.4585 -0.3515 -0.0870 4497SOL OH229617 3.765 5.387 0.587 -0.1974 0.1404 0.6036 4497SOL H129618 3.705 5.448 0.545 0.5100 1.2815 1.2048 4497SOL H229619 3.782 5.321 0.520 -0.2150 1.1386 -0.4130 4498SOL OH229620 0.769 4.207 0.456 -0.0374 0.3015 -0.0586 4498SOL H129621 0.846 4.262 0.441 0.0771 -0.0462 -0.7723 4498SOL H229622 0.762 4.201 0.551 1.7771 -0.9943 0.0302 4499SOL OH229623 4.945 2.010 0.517 0.3546 0.2567 -0.4247 4499SOL H129624 5.012 2.017 0.449 1.1562 -0.4395 0.2645 4499SOL H229625 4.868 2.053 0.480 1.2320 1.2410 -1.1742 4500SOL OH229626 6.042 3.817 7.660 0.4294 0.0741 0.4216 4500SOL H129627 6.035 3.827 7.565 0.5087 1.4654 0.5397 4500SOL H229628 5.988 3.888 7.696 1.5186 0.4358 1.4028 4501SOL OH229629 5.562 3.678 0.269 -0.1278 0.0074 0.0841 4501SOL H129630 5.566 3.771 0.245 -0.8725 0.5475 1.8349 4501SOL H229631 5.639 3.665 0.324 -0.3315 -0.2576 0.3095 4502SOL OH229632 4.811 4.245 6.779 0.2800 -0.0226 0.5482 4502SOL H129633 4.872 4.232 6.706 -0.9509 0.9113 -0.7003 4502SOL H229634 4.727 4.215 6.744 0.1476 -2.4008 2.6156 4503SOL OH229635 1.168 1.948 7.619 0.0378 0.5769 -0.2537 4503SOL H129636 1.262 1.962 7.602 0.0118 -0.9765 -2.0392 4503SOL H229637 1.167 1.876 7.682 0.1044 -1.1515 -2.1174 4504SOL OH229638 0.269 5.779 0.370 0.4597 0.7184 0.4806 4504SOL H129639 0.189 5.736 0.402 1.1364 -0.2151 0.9828 4504SOL H229640 0.337 5.713 0.383 0.9086 0.5175 -2.3548 4505SOL OH229641 0.154 3.351 6.878 -0.0297 0.5724 0.2927 4505SOL H129642 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3.758 2.059 0.4575 0.3193 -0.2525 4517SOL H129678 3.784 3.787 2.134 0.2912 -1.1180 0.4607 4517SOL H229679 3.793 3.710 2.004 -0.2695 -2.7479 1.3560 4518SOL OH229680 5.753 0.402 0.222 0.1960 0.0886 -0.2360 4518SOL H129681 5.802 0.321 0.206 0.1400 -0.2933 1.3734 4518SOL H229682 5.759 0.450 0.139 0.5368 -1.3855 -1.1077 4519SOL OH229683 2.881 2.460 1.438 0.4207 -0.2507 0.2588 4519SOL H129684 2.893 2.503 1.354 -0.1787 -0.9127 -0.1797 4519SOL H229685 2.821 2.518 1.486 1.4991 0.6126 0.6211 4520SOL OH229686 3.500 0.328 7.110 0.0916 0.4539 0.0204 4520SOL H129687 3.531 0.341 7.200 0.6279 1.3170 -0.2750 4520SOL H229688 3.410 0.361 7.111 -1.2204 -2.7543 1.0657 4521SOL OH229689 0.622 3.697 1.810 0.0439 -0.1832 -0.2845 4521SOL H129690 0.561 3.761 1.775 0.9476 0.9779 0.1717 4521SOL H229691 0.576 3.658 1.885 -0.6242 -0.2912 -0.7467 4522SOL OH229692 3.774 4.191 1.238 -0.4567 -0.1485 0.0421 4522SOL H129693 3.762 4.138 1.317 1.3020 1.0242 1.1628 4522SOL H229694 3.821 4.269 1.268 -1.9923 1.5760 -1.7332 4523SOL OH229695 4.982 3.159 6.763 -0.2034 0.1896 -0.1494 4523SOL H129696 5.007 3.241 6.720 0.4850 0.7578 1.2492 4523SOL H229697 5.004 3.173 6.855 -1.6612 -0.9420 0.4215 4524SOL OH229698 4.238 1.081 0.875 -0.1061 -0.2344 -0.1900 4524SOL H129699 4.285 1.136 0.812 -0.5756 -0.2449 -0.5523 4524SOL H229700 4.252 1.124 0.959 0.4330 -0.1569 -0.3163 4525SOL OH229701 1.886 3.207 1.938 -0.5115 -0.1235 -0.2442 4525SOL H129702 1.878 3.132 1.998 -0.9500 0.5805 0.5967 4525SOL H229703 1.806 3.204 1.885 -0.3522 -0.4652 -0.4679 4526SOL OH229704 3.856 0.035 1.398 0.6110 -0.0040 -0.2195 4526SOL H129705 3.927 0.098 1.388 0.3957 0.3767 0.5614 4526SOL H229706 3.800 0.048 1.322 1.0021 0.1820 -0.4735 4527SOL OH229707 6.060 1.910 7.041 -0.2694 -0.0527 0.5032 4527SOL H129708 6.089 1.819 7.041 0.0034 0.0294 1.2333 4527SOL H229709 5.980 1.910 7.093 0.9171 0.4687 2.4343 4528SOL OH229710 0.967 3.757 7.876 0.2528 -0.4830 0.4704 4528SOL H129711 0.920 3.704 7.940 0.8819 -1.3895 0.1951 4528SOL H229712 0.906 3.766 7.803 0.3428 -1.2671 0.3012 4529SOL OH229713 1.821 5.657 2.211 -0.3737 0.0569 0.1629 4529SOL H129714 1.904 5.662 2.257 0.1861 -0.7876 -0.7215 4529SOL H229715 1.777 5.739 2.231 1.4373 1.3125 -0.8085 4530SOL OH229716 5.877 1.854 0.839 0.0118 0.2566 0.1671 4530SOL H129717 5.817 1.797 0.886 -0.0442 2.1677 2.6077 4530SOL H229718 5.962 1.811 0.846 -0.2539 -0.1760 0.7995 4531SOL OH229719 5.853 3.024 -0.003 -0.5430 0.1577 0.1165 4531SOL H129720 5.929 3.072 0.031 -1.0956 0.5451 0.8335 4531SOL H229721 5.886 2.936 -0.019 0.4191 0.6815 -0.9352 4532SOL OH229722 4.333 4.783 1.702 0.1412 0.0813 0.2000 4532SOL H129723 4.369 4.743 1.780 1.0495 1.0076 0.2710 4532SOL H229724 4.245 4.811 1.728 1.0931 2.0634 1.4903 4533SOL OH229725 3.583 4.364 6.384 -0.0494 -0.8513 0.5918 4533SOL H129726 3.565 4.338 6.294 -1.5294 0.0640 0.5987 4533SOL H229727 3.552 4.454 6.390 1.6960 -0.2684 1.5403 4534SOL OH229728 5.024 4.838 8.229 -0.2949 -0.3334 0.1811 4534SOL H129729 5.055 4.787 8.304 -1.1046 -0.8005 0.2067 4534SOL H229730 4.935 4.863 8.252 0.2036 1.4785 0.3551 4535SOL OH229731 2.188 2.687 0.829 -0.1365 -0.1884 0.2556 4535SOL H129732 2.133 2.631 0.884 -2.9388 0.1310 -1.9967 4535SOL H229733 2.256 2.629 0.796 -2.0808 -2.0163 -0.8083 4536SOL OH229734 5.340 2.292 7.396 -0.5962 0.4634 0.1187 4536SOL H129735 5.376 2.355 7.459 0.7777 0.0606 -0.2151 4536SOL H229736 5.359 2.206 7.436 -0.1667 0.2181 -0.5845 4537SOL OH229737 5.312 2.476 1.427 -0.2357 -0.3049 0.7197 4537SOL H129738 5.390 2.530 1.439 -1.0870 0.8887 1.0656 4537SOL H229739 5.318 2.444 1.337 1.0203 -0.8592 0.9834 4538SOL OH229740 2.304 3.603 7.769 0.6892 -0.3051 -0.2503 4538SOL H129741 2.281 3.689 7.735 -1.6395 -0.3618 1.0288 4538SOL H229742 2.221 3.561 7.788 1.7714 -1.4014 2.6406 4539SOL OH229743 3.534 0.345 6.825 0.1007 0.3872 -0.3065 4539SOL H129744 3.567 0.337 6.915 0.4394 1.1220 -0.3523 4539SOL H229745 3.567 0.267 6.781 2.2021 1.2787 -0.4502 4540SOL OH229746 3.657 3.198 7.914 0.0632 -0.3878 0.2561 4540SOL H129747 3.633 3.143 7.988 1.0364 -1.2398 -0.0429 4540SOL H229748 3.745 3.229 7.934 -0.4916 1.1593 0.4570 4541SOL OH229749 5.554 5.476 6.517 0.0370 0.1861 0.3427 4541SOL H129750 5.550 5.489 6.422 1.8268 0.3943 0.2646 4541SOL H229751 5.486 5.411 6.535 2.3090 -3.0541 -1.6957 4542SOL OH229752 5.036 4.927 1.387 0.8528 0.0040 -0.1742 4542SOL H129753 5.073 4.971 1.310 2.8360 0.3753 0.9289 4542SOL H229754 5.030 4.835 1.361 0.5180 0.2803 -1.1175 4543SOL OH229755 3.854 0.805 6.870 -0.7013 -0.3083 -0.2577 4543SOL H129756 3.924 0.805 6.805 0.5440 1.7395 0.9752 4543SOL H229757 3.863 0.720 6.914 0.4631 -0.4114 -0.6621 4544SOL OH229758 0.310 2.662 2.509 0.1839 0.1522 0.1293 4544SOL H129759 0.254 2.616 2.447 1.2174 -0.1200 -0.6333 4544SOL H229760 0.345 2.736 2.459 0.3327 0.4504 0.6646 4545SOL OH229761 4.817 0.857 6.629 0.0882 -0.0456 0.1057 4545SOL H129762 4.726 0.838 6.604 0.2102 0.3632 -0.6896 4545SOL H229763 4.868 0.792 6.580 0.4081 1.3886 -1.5771 4546SOL OH229764 4.901 1.984 7.769 0.5087 0.5091 -0.2090 4546SOL H129765 4.898 2.063 7.823 -0.8171 1.6586 -1.8568 4546SOL H229766 4.914 1.913 7.831 0.0430 1.8612 1.5061 4547SOL OH229767 1.516 5.767 1.700 -0.0093 0.0213 -0.0140 4547SOL H129768 1.517 5.827 1.774 0.0421 0.1194 -0.0948 4547SOL H229769 1.608 5.752 1.679 -0.0322 0.3905 -0.3806 4548SOL OH229770 5.163 3.427 7.281 0.0040 -0.0168 0.2154 4548SOL H129771 5.115 3.424 7.364 -1.0429 -1.6336 -0.3984 4548SOL H229772 5.168 3.336 7.253 1.5396 0.3572 -0.8454 4549SOL OH229773 5.963 5.544 8.179 0.0084 0.2987 -0.4359 4549SOL H129774 6.038 5.602 8.165 0.2657 -0.1509 -0.9821 4549SOL H229775 5.914 5.584 8.250 1.7054 -0.3077 1.1370 4550SOL OH229776 5.525 4.968 0.371 0.7250 -0.0776 -0.0767 4550SOL H129777 5.448 4.948 0.318 1.3116 -0.2380 -0.8912 4550SOL H229778 5.584 5.012 0.310 1.3672 -0.1626 0.4834 4551SOL OH229779 1.743 5.557 2.582 0.3594 -0.2781 -0.1553 4551SOL H129780 1.828 5.531 2.618 -0.3649 0.0279 1.9148 4551SOL H229781 1.745 5.652 2.583 -0.3196 -0.2576 0.7817 4552SOL OH229782 4.570 2.509 7.763 -0.5490 -0.1375 -0.7722 4552SOL H129783 4.567 2.442 7.695 -2.2220 -1.2632 0.3438 4552SOL H229784 4.507 2.480 7.829 0.4419 1.3022 0.9116 4553SOL OH229785 5.678 3.956 1.210 -0.1307 -0.1283 0.5018 4553SOL H129786 5.652 4.041 1.174 1.6779 0.2718 0.0313 4553SOL H229787 5.597 3.905 1.213 -0.7520 0.5781 -2.1148 4554SOL OH229788 4.878 5.564 7.634 0.0843 0.1562 0.3192 4554SOL H129789 4.960 5.612 7.644 0.8908 -0.8904 -0.9694 4554SOL H229790 4.904 5.473 7.621 -1.2074 -0.0621 -1.1087 4555SOL OH229791 0.857 1.880 7.693 0.2827 -0.0428 -0.0466 4555SOL H129792 0.783 1.832 7.731 -0.7988 0.4472 -1.4298 4555SOL H229793 0.916 1.812 7.661 0.2039 -0.4377 0.6146 4556SOL OH229794 4.293 5.641 0.115 -0.0673 -0.2280 0.1837 4556SOL H129795 4.366 5.648 0.177 0.9230 -0.2910 -0.9335 4556SOL H229796 4.248 5.724 0.121 1.3945 0.6731 -0.6306 4557SOL OH229797 0.411 5.717 7.601 0.1835 -0.2424 0.3763 4557SOL H129798 0.443 5.711 7.691 0.1610 -1.1220 0.3294 4557SOL H229799 0.316 5.713 7.608 0.1779 -0.2203 0.3199 4558SOL OH229800 3.109 3.253 0.746 0.1818 0.3413 0.0652 4558SOL H129801 3.073 3.171 0.780 1.7365 -1.0898 -1.5479 4558SOL H229802 3.200 3.254 0.777 0.0309 1.7992 0.5698 4559SOL OH229803 3.345 1.072 7.571 0.5604 0.0810 0.3285 4559SOL H129804 3.261 1.078 7.526 1.2838 0.4628 -1.0516 4559SOL H229805 3.339 1.134 7.643 -0.1639 0.4596 -0.0464 4560SOL OH229806 5.681 2.173 0.533 0.3350 0.2383 -0.2176 4560SOL H129807 5.607 2.114 0.550 0.6860 0.1864 1.2798 4560SOL H229808 5.707 2.153 0.443 -0.4833 -0.8499 -0.2382 4561SOL OH229809 0.121 2.746 1.102 0.0595 -0.0360 0.6299 4561SOL H129810 0.177 2.742 1.180 0.0466 -0.3006 0.6256 4561SOL H229811 0.032 2.749 1.137 -0.0485 -1.9812 0.6103 4562SOL OH229812 1.787 3.142 7.191 -0.2102 0.7939 -0.0325 4562SOL H129813 1.855 3.167 7.127 0.2316 -1.6691 -0.6110 4562SOL H229814 1.836 3.118 7.270 -0.4978 0.3474 0.0144 4563SOL OH229815 2.360 5.408 2.335 0.1290 -0.1088 0.0073 4563SOL H129816 2.413 5.420 2.414 -0.2083 -0.9087 0.3684 4563SOL H229817 2.345 5.313 2.331 -0.5806 0.0231 -0.5419 4564SOL OH229818 0.128 3.281 7.156 0.0918 0.0013 -0.2254 4564SOL H129819 0.074 3.340 7.209 0.9281 0.4006 0.2087 4564SOL H229820 0.133 3.324 7.070 0.0503 0.1639 -0.1464 4565SOL OH229821 1.072 2.012 2.400 -0.3319 -0.7139 0.3028 4565SOL H129822 1.146 1.967 2.443 0.7895 -0.6998 -1.5175 4565SOL H229823 1.053 2.086 2.458 2.2203 0.2827 0.0210 4566SOL OH229824 1.180 2.907 7.807 0.0733 0.7654 -0.2715 4566SOL H129825 1.149 2.962 7.878 1.8300 0.9659 0.3772 4566SOL H229826 1.234 2.965 7.753 0.5853 0.0809 -0.5075 4567SOL OH229827 2.280 0.052 8.195 0.3158 0.3833 0.3143 4567SOL H129828 2.214 0.029 8.129 0.7262 3.3141 -1.3143 4567SOL H229829 2.362 0.019 8.159 0.2273 -0.0709 0.5269 4568SOL OH229830 1.115 4.186 2.055 -0.0125 0.0280 0.4136 4568SOL H129831 1.022 4.207 2.059 -0.3552 -1.3772 0.4328 4568SOL H229832 1.126 4.115 2.119 0.4379 -1.9108 -1.7034 4569SOL OH229833 4.470 1.418 1.428 0.2875 0.0151 -0.1045 4569SOL H129834 4.533 1.465 1.374 0.4023 -0.0328 -0.0115 4569SOL H229835 4.523 1.362 1.484 0.1256 -0.8675 -0.8056 4570SOL OH229836 4.074 2.800 0.944 -0.2537 -0.0837 -0.3445 4570SOL H129837 4.154 2.764 0.983 0.0781 0.9738 -0.0275 4570SOL H229838 4.003 2.761 0.995 0.0205 -1.2516 -0.8045 4571SOL OH229839 2.020 0.447 0.405 -0.1593 -0.5511 0.1607 4571SOL H129840 1.925 0.436 0.392 -0.0662 0.1083 -1.2720 4571SOL H229841 2.034 0.541 0.397 0.5082 -0.5215 1.4058 4572SOL OH229842 4.642 0.149 8.173 0.0549 0.0772 -0.0294 4572SOL H129843 4.728 0.125 8.136 0.7413 2.4757 -0.1733 4572SOL H229844 4.591 0.178 8.097 -0.3079 0.1897 0.2565 4573SOL OH229845 1.278 3.351 0.956 -0.2914 -0.2398 -0.0129 4573SOL H129846 1.353 3.350 1.015 0.0273 -1.5639 -0.4107 4573SOL H229847 1.315 3.334 0.869 -1.0135 -0.5436 -0.2724 4574SOL OH229848 5.288 4.352 0.955 -0.2349 0.1816 0.7309 4574SOL H129849 5.288 4.357 1.050 -0.3610 0.2639 0.7272 4574SOL H229850 5.369 4.306 0.933 -1.6428 -2.6187 1.0178 4575SOL OH229851 3.754 2.009 7.376 -0.1278 -0.1261 0.3282 4575SOL H129852 3.694 2.041 7.309 0.6231 0.3304 -0.1417 4575SOL H229853 3.805 2.086 7.401 0.6350 -0.6195 0.3207 4576SOL OH229854 5.717 4.704 -0.002 -0.3398 0.0796 -0.2336 4576SOL H129855 5.794 4.743 0.041 -0.4340 0.1526 -0.1296 4576SOL H229856 5.748 4.620 -0.034 -0.3725 -0.1593 0.3386 4577SOL OH229857 5.296 5.595 6.118 -0.7925 -0.1634 0.3329 4577SOL H129858 5.215 5.558 6.084 1.4360 -2.6254 -2.9372 4577SOL H229859 5.314 5.670 6.061 -0.5923 0.2065 0.8695 4578SOL OH229860 2.911 1.080 7.208 -0.0178 0.0020 0.2088 4578SOL H129861 2.996 1.038 7.197 -0.2147 -0.4411 0.3472 4578SOL H229862 2.861 1.019 7.262 -0.3687 0.3344 0.2621 4579SOL OH229863 0.513 1.866 7.396 -0.3395 -0.1021 -0.2530 4579SOL H129864 0.527 1.959 7.379 0.6683 -0.2304 -0.1670 4579SOL H229865 0.431 1.863 7.445 -0.1302 0.7780 0.1725 4580SOL OH229866 3.313 2.150 0.228 0.5977 0.2415 0.3154 4580SOL H129867 3.344 2.169 0.316 0.5065 3.6684 -0.2348 4580SOL H229868 3.230 2.197 0.221 -0.9081 -2.3662 -0.7285 4581SOL OH229869 4.986 3.372 7.025 0.3492 0.0773 0.2039 4581SOL H129870 4.907 3.320 7.042 0.6858 -0.3085 0.6517 4581SOL H229871 5.057 3.319 7.063 0.7326 0.7549 0.4520 4582SOL OH229872 2.799 0.220 7.904 -0.0617 0.3579 0.2481 4582SOL H129873 2.852 0.191 7.978 -0.7004 -0.1522 0.5188 4582SOL H229874 2.847 0.294 7.867 -0.2150 1.2748 1.7908 4583SOL OH229875 5.640 1.343 0.128 0.4725 0.0575 0.1605 4583SOL H129876 5.704 1.271 0.130 -0.2691 -0.8028 -2.6852 4583SOL H229877 5.575 1.319 0.193 1.1435 -0.9547 0.4873 4584SOL OH229878 4.428 0.773 0.075 -0.1385 -0.0796 -0.1997 4584SOL H129879 4.499 0.827 0.040 1.7818 -0.1786 3.1143 4584SOL H229880 4.459 0.683 0.063 -0.0181 -0.1465 0.5431 4585SOL OH229881 3.440 4.655 0.349 0.1785 0.2768 0.2338 4585SOL H129882 3.424 4.561 0.349 -0.0570 0.2722 2.1042 4585SOL H229883 3.516 4.667 0.406 -0.8478 1.3182 1.4775 4586SOL OH229884 4.376 2.409 1.383 0.1290 0.0982 -0.3394 4586SOL H129885 4.406 2.497 1.407 -0.0063 0.3848 -1.1771 4586SOL H229886 4.320 2.423 1.306 -1.9991 -0.4413 1.0186 4587SOL OH229887 1.037 3.418 2.016 0.3465 0.1233 -0.3156 4587SOL H129888 0.970 3.425 1.949 -0.0835 1.8788 0.2510 4587SOL H229889 1.041 3.504 2.057 2.7599 0.0216 -0.1388 4588SOL OH229890 2.906 4.898 1.596 -0.4486 -0.0077 0.1111 4588SOL H129891 2.982 4.954 1.581 0.9977 -1.8789 0.0547 4588SOL H229892 2.924 4.819 1.544 -2.5019 -0.4564 -0.0027 4589SOL OH229893 5.118 1.346 7.582 -0.0462 -0.1927 0.1157 4589SOL H129894 5.190 1.370 7.524 0.4789 0.6710 1.1036 4589SOL H229895 5.052 1.308 7.524 0.1751 1.2771 -1.1550 4590SOL OH229896 4.625 4.294 1.494 0.4710 0.5941 0.0064 4590SOL H129897 4.592 4.383 1.499 0.8246 0.6962 0.7326 4590SOL H229898 4.581 4.247 1.565 1.5426 0.6367 0.7361 4591SOL OH229899 4.035 2.149 0.614 0.4332 0.2864 -0.8269 4591SOL H129900 4.021 2.222 0.553 -0.9458 1.0607 0.3476 4591SOL H229901 3.951 2.103 0.615 0.6664 -0.1323 -0.0292 4592SOL OH229902 5.841 2.361 7.929 -0.5136 0.3706 -0.2759 4592SOL H129903 5.892 2.384 8.007 0.5198 0.6004 -0.9937 4592SOL H229904 5.819 2.445 7.889 -0.7052 0.2410 -0.4489 4593SOL OH229905 2.414 4.333 1.639 -0.1673 -0.4754 -0.2202 4593SOL H129906 2.480 4.274 1.675 -1.0436 -0.3709 1.6749 4593SOL H229907 2.332 4.282 1.642 -0.4776 -0.0303 -0.9305 4594SOL OH229908 1.683 1.395 0.617 -0.2929 -0.0360 0.1086 4594SOL H129909 1.718 1.313 0.651 -0.5354 0.1523 0.8394 4594SOL H229910 1.761 1.447 0.597 -0.1392 -0.4447 -0.3661 4595SOL OH229911 5.022 5.437 0.298 0.2015 0.3835 -0.0120 4595SOL H129912 5.006 5.531 0.306 1.8271 0.7473 -0.6821 4595SOL H229913 5.099 5.421 0.353 0.0926 -0.5054 -0.1068 4596SOL OH229914 3.318 5.704 6.794 -0.2269 0.1731 -0.1452 4596SOL H129915 3.396 5.666 6.834 -1.1923 -1.6219 0.1365 4596SOL H229916 3.314 5.665 6.707 -2.0682 -1.6789 0.6948 4597SOL OH229917 2.298 5.017 1.910 -0.0250 -0.0155 0.3658 4597SOL H129918 2.366 4.955 1.934 -0.4408 -0.2662 0.9477 4597SOL H229919 2.216 4.971 1.929 -0.3391 0.7971 1.0765 4598SOL OH229920 6.006 0.593 7.247 0.3432 -0.4335 0.3663 4598SOL H129921 6.071 0.526 7.270 -0.2850 -1.0509 0.3608 4598SOL H229922 6.059 0.668 7.219 1.0663 -0.7199 0.9200 4599SOL OH229923 5.522 2.222 1.305 -0.1741 -0.2635 0.2524 4599SOL H129924 5.585 2.229 1.233 0.6340 -0.9042 0.8631 4599SOL H229925 5.438 2.205 1.263 0.6674 -3.1755 -0.5143 4600SOL OH229926 1.019 0.463 0.071 0.1172 0.1601 -0.5189 4600SOL H129927 1.037 0.469 -0.023 0.1257 -1.7338 -0.6919 4600SOL H229928 0.948 0.399 0.077 0.7986 -0.5169 0.8027 4601SOL OH229929 2.067 2.684 8.148 -0.1195 -0.1617 -0.1714 4601SOL H129930 2.053 2.733 8.067 -1.0996 -1.5733 -0.8838 4601SOL H229931 2.157 2.653 8.142 -0.1629 -0.1906 -0.6929 4602SOL OH229932 0.082 5.057 1.793 -0.5959 0.0819 0.0124 4602SOL H129933 0.090 5.149 1.768 -1.1614 0.4098 1.0160 4602SOL H229934 0.136 5.011 1.728 -1.4506 0.9642 -1.3778 4603SOL OH229935 5.393 1.611 0.254 -0.1057 -0.1111 -0.7194 4603SOL H129936 5.471 1.632 0.204 -0.5470 0.5677 -1.1311 4603SOL H229937 5.402 1.517 0.274 0.9247 0.0210 -0.5377 4604SOL OH229938 3.191 3.172 7.515 0.0063 0.7249 0.1953 4604SOL H129939 3.193 3.258 7.557 0.4533 -0.1934 2.1727 4604SOL H229940 3.248 3.182 7.439 -0.9097 2.4960 -0.3182 4605SOL OH229941 2.007 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0.5281 -0.0924 4640SOL H130047 1.591 5.040 1.717 0.0926 1.4136 0.0923 4640SOL H230048 1.486 5.006 1.820 0.4001 1.3344 0.3827 4641SOL OH230049 0.030 4.597 6.473 0.4439 0.0329 0.2194 4641SOL H130050 0.029 4.687 6.506 0.4703 0.4899 -0.9951 4641SOL H230051 0.018 4.606 6.379 1.1497 -1.2051 -0.0022 4642SOL OH230052 1.705 1.309 7.262 -0.2209 0.1685 -0.2705 4642SOL H130053 1.793 1.301 7.300 -1.1587 -0.4547 1.9455 4642SOL H230054 1.648 1.325 7.338 -2.7262 -4.3270 -0.8628 4643SOL OH230055 3.102 4.564 2.062 0.4222 0.9993 0.3910 4643SOL H130056 3.103 4.476 2.100 -2.3849 0.7025 0.0108 4643SOL H230057 3.080 4.550 1.969 0.6013 2.0682 0.1695 4644SOL OH230058 1.734 0.670 1.068 -0.0397 -0.8024 0.1587 4644SOL H130059 1.787 0.750 1.062 0.1781 -0.9132 0.6114 4644SOL H230060 1.790 0.601 1.032 -0.3699 -0.6914 -0.5949 4645SOL OH230061 5.855 5.183 0.540 -0.1930 0.2017 0.3687 4645SOL H130062 5.787 5.117 0.550 0.4306 -0.4883 0.1736 4645SOL H230063 5.907 5.154 0.466 1.6858 -0.5544 1.8933 4646SOL OH230064 0.255 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-1.6907 4652SOL OH230082 3.747 5.943 7.121 -0.1215 -0.0397 -0.2229 4652SOL H130083 3.757 5.853 7.089 -0.6003 -0.0077 -0.4646 4652SOL H230084 3.660 5.970 7.091 0.7624 1.1905 -1.8541 4653SOL OH230085 3.701 0.310 0.729 0.1023 0.1976 0.5928 4653SOL H130086 3.748 0.228 0.716 -0.2092 -0.1533 1.5795 4653SOL H230087 3.694 0.319 0.824 0.2591 1.4421 0.4982 4654SOL OH230088 4.230 3.019 0.089 0.6585 -0.6527 -0.1616 4654SOL H130089 4.230 3.115 0.086 3.2073 -0.5675 0.0643 4654SOL H230090 4.318 2.996 0.121 -0.5950 -3.0375 1.9884 4655SOL OH230091 0.028 5.330 1.741 -0.3288 -0.0762 -0.1559 4655SOL H130092 0.042 5.407 1.687 -0.9257 0.8618 0.9891 4655SOL H230093 0.071 5.350 1.824 1.7022 -2.0127 -0.6437 4656SOL OH230094 1.388 2.341 0.645 -0.2838 -0.0051 0.0031 4656SOL H130095 1.328 2.346 0.719 -0.7273 0.0944 -0.3569 4656SOL H230096 1.330 2.331 0.569 0.1575 0.1021 -0.3467 4657SOL OH230097 3.775 0.192 0.091 -0.3471 -0.1012 0.5476 4657SOL H130098 3.809 0.157 0.173 -2.4254 -1.9578 0.7015 4657SOL H230099 3.767 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H230117 0.331 1.155 7.667 0.3757 -0.1540 0.0133 4664SOL OH230118 3.759 3.472 7.478 -0.1994 -0.2139 0.5048 4664SOL H130119 3.818 3.399 7.462 -1.0258 -0.6990 -0.5180 4664SOL H230120 3.812 3.537 7.524 0.5626 -1.4297 1.4087 4665SOL OH230121 1.315 5.086 8.314 -0.0038 -0.1023 0.3717 4665SOL H130122 1.352 5.086 8.226 -0.6192 -0.6039 0.1025 4665SOL H230123 1.391 5.079 8.372 0.4477 0.8366 -0.0916 4666SOL OH230124 5.628 0.981 0.101 -0.0898 0.3092 -0.0609 4666SOL H130125 5.552 1.006 0.050 -1.7357 -2.4456 0.8462 4666SOL H230126 5.638 0.887 0.087 0.2903 -0.3200 3.3848 4667SOL OH230127 3.750 4.493 6.712 0.1721 0.2641 -0.8606 4667SOL H130128 3.743 4.401 6.689 1.1353 0.5750 -2.5141 4667SOL H230129 3.807 4.494 6.789 -0.9704 -0.5926 0.0314 4668SOL OH230130 2.793 4.092 0.542 -0.6809 0.5427 -0.0871 4668SOL H130131 2.710 4.138 0.554 -0.0811 1.6920 -0.1793 4668SOL H230132 2.859 4.161 0.542 0.2428 -0.3109 -0.4378 4669SOL OH230133 3.753 4.623 1.326 -1.0612 0.4620 -0.5274 4669SOL H130134 3.776 4.712 1.299 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0.656 1.1161 -1.3905 -0.6079 5220SOL OH231786 5.174 0.431 2.192 0.4412 0.3995 0.0480 5220SOL H131787 5.123 0.352 2.211 0.9392 0.4408 1.7303 5220SOL H231788 5.152 0.453 2.101 -2.2309 0.1963 0.5667 5221SOL OH231789 4.239 4.279 0.915 -0.1282 0.7764 0.4670 5221SOL H131790 4.203 4.342 0.853 -1.6296 1.1405 1.6589 5221SOL H231791 4.333 4.277 0.895 -0.7355 -0.2963 -2.8258 5222SOL OH231792 1.861 1.712 1.462 0.6558 -0.1324 0.3473 5222SOL H131793 1.826 1.788 1.415 2.6686 0.7584 0.2062 5222SOL H231794 1.792 1.646 1.455 -0.7468 1.3368 -0.3682 5223SOL OH231795 0.750 3.397 0.941 0.2427 -0.7505 0.1109 5223SOL H131796 0.834 3.352 0.935 0.3303 -0.4512 -1.6485 5223SOL H231797 0.731 3.424 0.851 -0.9248 0.6825 0.7305 5224SOL OH231798 5.552 5.073 8.349 -0.3756 0.0114 -0.5614 5224SOL H131799 5.494 5.148 8.331 -0.8221 0.0580 0.9360 5224SOL H231800 5.519 5.003 8.292 -2.3115 -0.1331 0.6489 5225SOL OH231801 3.592 3.162 8.206 -0.7057 -0.1254 0.2906 5225SOL H131802 3.505 3.182 8.172 -0.6640 0.7899 0.6994 5225SOL H231803 3.575 3.112 8.286 -0.8521 0.1829 0.4505 5226SOL OH231804 3.864 3.849 7.670 -0.1696 -0.3073 0.1929 5226SOL H131805 3.832 3.921 7.725 -1.3117 0.5395 -1.4789 5226SOL H231806 3.820 3.863 7.586 0.8061 -2.0796 -0.6502 5227SOL OH231807 1.074 4.516 1.234 0.3526 -0.0755 0.0531 5227SOL H131808 1.162 4.529 1.269 0.4699 -1.6165 0.3978 5227SOL H231809 1.042 4.437 1.277 -0.8576 -0.0607 -0.7502 5228SOL OH231810 2.518 5.129 6.606 0.8145 0.5597 0.2575 5228SOL H131811 2.449 5.099 6.547 1.3650 0.9246 -0.5784 5228SOL H231812 2.568 5.050 6.627 -0.5493 0.0667 1.8296 5229SOL OH231813 3.701 4.020 6.742 0.0514 -0.1182 0.2719 5229SOL H131814 3.717 4.099 6.690 0.1889 0.0763 0.6073 5229SOL H231815 3.772 3.960 6.717 -1.5354 -1.2239 -2.0430 5230SOL OH231816 0.650 3.625 7.031 0.1070 -0.3508 -1.0013 5230SOL H131817 0.719 3.661 7.087 -1.9470 0.0878 1.4366 5230SOL H231818 0.675 3.533 7.018 0.9040 -0.3436 0.2826 5231SOL OH231819 2.084 1.496 2.440 0.1952 0.2939 -0.1008 5231SOL H131820 2.117 1.585 2.434 -0.0772 0.5516 1.6598 5231SOL H231821 2.002 1.497 2.390 0.7241 0.7291 -0.9802 5232SOL OH231822 2.850 0.553 0.211 0.0629 -0.0676 -0.1169 5232SOL H131823 2.861 0.458 0.212 -1.2863 -0.2590 2.2733 5232SOL H231824 2.756 0.567 0.199 0.3982 1.0490 -1.8490 5233SOL OH231825 5.940 3.662 1.186 0.1082 0.2460 0.4967 5233SOL H131826 5.983 3.670 1.271 0.6995 -0.1873 0.2469 5233SOL H231827 5.974 3.580 1.150 -0.7821 -0.0078 0.2046 5234SOL OH231828 2.563 0.348 2.041 0.3227 0.3365 0.5396 5234SOL H131829 2.549 0.260 2.075 -0.8501 -0.6444 -2.2427 5234SOL H231830 2.511 0.405 2.098 -1.5352 -1.1935 0.4447 5235SOL OH231831 2.764 2.963 7.384 -0.1779 0.5659 0.0465 5235SOL H131832 2.751 2.879 7.429 3.9554 0.5579 1.6935 5235SOL H231833 2.691 3.017 7.414 -0.6959 -1.2086 2.3172 5236SOL OH231834 5.159 4.829 6.615 -0.1395 0.3747 -0.7304 5236SOL H131835 5.236 4.884 6.603 -1.5372 2.4741 -0.6710 5236SOL H231836 5.118 4.826 6.528 -0.2917 -0.2529 -0.6426 5237SOL OH231837 2.375 0.726 2.374 -0.5613 0.0125 0.4253 5237SOL H131838 2.445 0.746 2.436 0.6059 -1.1804 -0.4729 5237SOL H231839 2.329 0.810 2.363 0.0138 0.5550 1.8712 5238SOL OH231840 4.417 2.345 0.078 -0.1454 -0.0679 -0.2066 5238SOL H131841 4.427 2.306 0.165 0.9260 -0.8050 -0.6286 5238SOL H231842 4.326 2.373 0.074 -0.4493 -0.8583 0.8142 5239SOL OH231843 5.719 5.146 7.057 -0.2692 -0.4197 -0.3140 5239SOL H131844 5.737 5.057 7.027 -0.1437 0.2031 -2.2185 5239SOL H231845 5.802 5.193 7.044 -0.3710 0.0228 0.5455 5240SOL OH231846 4.459 0.461 1.867 -0.0995 -0.0771 0.0355 5240SOL H131847 4.489 0.411 1.792 -1.2813 0.2298 -0.6678 5240SOL H231848 4.516 0.538 1.869 0.7228 -0.6822 0.1970 5241SOL OH231849 2.329 1.537 1.328 0.0008 0.0074 0.8226 5241SOL H131850 2.411 1.492 1.309 -0.8059 -1.1350 -0.1139 5241SOL H231851 2.320 1.600 1.257 0.0980 0.1842 0.9662 5242SOL OH231852 3.668 0.436 6.566 0.5385 -0.2060 -0.0556 5242SOL H131853 3.762 0.417 6.561 0.2836 -1.6852 0.2864 5242SOL H231854 3.639 0.391 6.645 -0.7228 -0.9996 -0.9368 5243SOL OH231855 5.891 4.708 0.966 -0.2470 -0.0198 -0.1599 5243SOL H131856 5.909 4.736 0.876 1.0782 1.4039 0.5025 5243SOL H231857 5.842 4.781 1.005 -0.8959 -0.6612 0.2711 5244SOL OH231858 5.768 0.119 7.252 -0.0517 -0.1480 -0.1520 5244SOL H131859 5.678 0.152 7.250 -0.6145 -1.5782 -1.8566 5244SOL H231860 5.761 0.034 7.296 0.7933 0.4634 1.2279 5245SOL OH231861 0.602 2.844 2.949 -0.5627 -0.5952 0.2093 5245SOL H131862 0.549 2.766 2.964 -1.2186 0.1071 1.8719 5245SOL H231863 0.553 2.894 2.884 -0.6370 -1.1244 -0.1459 5246SOL OH231864 4.609 4.371 0.123 -0.0178 -0.1274 0.4351 5246SOL H131865 4.613 4.439 0.191 -0.0028 0.3618 -0.0522 5246SOL H231866 4.559 4.411 0.052 0.9616 -0.2106 -0.3201 5247SOL OH231867 5.236 0.641 6.806 0.3205 -0.3521 0.1134 5247SOL H131868 5.280 0.723 6.781 0.0760 0.2194 1.4659 5247SOL H231869 5.304 0.575 6.799 0.6145 0.0246 -0.6793 5248SOL OH231870 5.483 3.644 0.589 -0.0790 0.1439 0.3856 5248SOL H131871 5.474 3.603 0.675 0.5229 -0.9264 -0.0360 5248SOL H231872 5.549 3.712 0.602 -0.0011 -0.0010 0.7703 6.06838 5.96847 8.33870